data_shelxl _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C34 H33 Cl F6 N2 O P2 Ru' _chemical_formula_weight 798.08 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Ru' 'Ru' -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cl' 'Cl' 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/c loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z+1/2' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y, z-1/2' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z-1/2' _cell_length_a 37.8820(15) _cell_length_b 10.8170(5) _cell_length_c 17.8540(4) _cell_angle_alpha 90.00 _cell_angle_beta 108.766(2) _cell_angle_gamma 90.00 _cell_volume 6927.1(4) _cell_formula_units_Z 8 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description prismatic _exptl_crystal_colour ? _exptl_crystal_size_max 0.26 _exptl_crystal_size_mid 0.24 _exptl_crystal_size_min 0.21 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.531 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 3232 _exptl_absorpt_coefficient_mu 0.685 _exptl_absorpt_correction_type none _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type ? _diffrn_measurement_method ? _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 13329 _diffrn_reflns_av_R_equivalents 0.0578 _diffrn_reflns_av_sigmaI/netI 0.0745 _diffrn_reflns_limit_h_min -48 _diffrn_reflns_limit_h_max 48 _diffrn_reflns_limit_k_min -14 _diffrn_reflns_limit_k_max 12 _diffrn_reflns_limit_l_min -23 _diffrn_reflns_limit_l_max 23 _diffrn_reflns_theta_min 3.25 _diffrn_reflns_theta_max 27.45 _reflns_number_total 7878 _reflns_number_gt 5005 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Collect(Nonius BV, 1997-2000)' _computing_cell_refinement 'Denzo and Scalepack(Otwinowski & Minor1997)' _computing_data_reduction 'Denzo and Scalepack(Otwinowski & Minor1997)' _computing_structure_solution 'Bruker SHELXTL' _computing_structure_refinement 'Bruker SHELXTL' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0572P)^2^+20.2372P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method SHELXL _refine_ls_extinction_coef 0.00090(9) _refine_ls_extinction_expression 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' _refine_ls_number_reflns 7878 _refine_ls_number_parameters 427 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1038 _refine_ls_R_factor_gt 0.0545 _refine_ls_wR_factor_ref 0.1467 _refine_ls_wR_factor_gt 0.1194 _refine_ls_goodness_of_fit_ref 1.048 _refine_ls_restrained_S_all 1.048 _refine_ls_shift/su_max 0.001 _refine_ls_shift/su_mean 0.000 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Ru1 Ru 0.666303(10) 0.79717(4) 0.512570(19) 0.03468(13) Uani 1 1 d . . . P1 P 0.60834(4) 0.62219(13) 0.70788(6) 0.0405(3) Uani 1 1 d . . . Cl1 Cl 0.71109(4) 0.64603(15) 0.57849(8) 0.0600(4) Uani 1 1 d . . . O1 O 0.63758(9) 0.7329(3) 0.58847(17) 0.0399(8) Uani 1 1 d . . . N1 N 0.69047(11) 0.8981(4) 0.6167(2) 0.0388(9) Uani 1 1 d . . . C1 C 0.71700(15) 0.9839(5) 0.6276(3) 0.0525(13) Uani 1 1 d . . . H1A H 0.7234 1.0116 0.5844 0.063 Uiso 1 1 calc R . . F1 F 0.73827(19) 0.1217(5) 0.4608(3) 0.143(2) Uani 1 1 d . . . P2 P 0.7500 0.2500 0.5000 0.0489(5) Uani 1 2 d S . . N2 N 0.64204(12) 0.7200(4) 0.7197(2) 0.0464(10) Uani 1 1 d . . . F2 F 0.72732(14) 0.3200(6) 0.4228(3) 0.128(2) Uani 1 1 d . . . C2 C 0.73520(17) 1.0326(6) 0.7019(3) 0.0642(16) Uani 1 1 d . . . H2B H 0.7531 1.0942 0.7082 0.077 Uiso 1 1 calc R . . P3 P 0.5000 0.2465(3) 0.7500 0.0775(8) Uani 1 2 d S . . F3 F 0.78491(14) 0.2541(5) 0.4708(3) 0.1177(18) Uani 1 1 d . . . C3 C 0.72652(19) 0.9886(7) 0.7664(3) 0.076(2) Uani 1 1 d . . . H3A H 0.7391 1.0179 0.8169 0.091 Uiso 1 1 calc R . . C4 C 0.69926(16) 0.9020(6) 0.7553(3) 0.0610(16) Uani 1 1 d . . . H4A H 0.6926 0.8726 0.7978 0.073 Uiso 1 1 calc R . . F4 F 0.5038(2) 0.1497(9) 0.6930(6) 0.231(4) Uani 1 1 d . . . C5 C 0.68155(13) 0.8581(5) 0.6794(3) 0.0425(11) Uani 1 1 d . . . F5 F 0.45791(15) 0.2556(8) 0.7071(5) 0.185(3) Uani 1 1 d . . . C6 C 0.66357(16) 0.9531(5) 0.4358(3) 0.0554(14) Uani 1 1 d . . . H6A H 0.6743 1.0319 0.4595 0.066 Uiso 1 1 calc R . . F6 F 0.49420(17) 0.3577(7) 0.8041(3) 0.152(2) Uani 1 1 d . . . C7 C 0.68705(15) 0.8652(6) 0.4202(3) 0.0521(14) Uani 1 1 d . . . H7A H 0.7137 0.8839 0.4332 0.062 Uiso 1 1 calc R . . C8 C 0.67464(16) 0.7423(6) 0.4005(3) 0.0555(14) Uani 1 1 d . . . C9 C 0.63831(15) 0.7118(5) 0.3978(3) 0.0485(12) Uani 1 1 d . . . H9A H 0.6312 0.6245 0.3960 0.058 Uiso 1 1 calc R . . C10 C 0.61503(14) 0.8007(6) 0.4150(3) 0.0506(13) Uani 1 1 d . . . H10A H 0.5920 0.7733 0.4239 0.061 Uiso 1 1 calc R . . C11 C 0.62664(15) 0.9240(5) 0.4325(3) 0.0519(13) Uani 1 1 d . . . C12 C 0.7004(2) 0.6469(8) 0.3865(4) 0.084(2) Uani 1 1 d . . . H12A H 0.6978 0.6446 0.3312 0.127 Uiso 1 1 calc R . . H12B H 0.6943 0.5673 0.4027 0.127 Uiso 1 1 calc R . . H12C H 0.7257 0.6674 0.4165 0.127 Uiso 1 1 calc R . . C13 C 0.6020(2) 1.0226(7) 0.4490(4) 0.079(2) Uani 1 1 d . . . H13A H 0.6183 1.0899 0.4770 0.095 Uiso 1 1 calc R . . C14 C 0.5776(2) 1.0743(8) 0.3682(5) 0.101(3) Uani 1 1 d . . . H14A H 0.5617 1.1384 0.3764 0.151 Uiso 1 1 calc R . . H14B H 0.5626 1.0090 0.3375 0.151 Uiso 1 1 calc R . . H14C H 0.5934 1.1075 0.3404 0.151 Uiso 1 1 calc R . . C15 C 0.5796(3) 0.9846(10) 0.4981(6) 0.125(4) Uani 1 1 d . . . H15A H 0.5957 0.9550 0.5481 0.187 Uiso 1 1 calc R . . H15B H 0.5628 0.9199 0.4718 0.187 Uiso 1 1 calc R . . H15C H 0.5655 1.0540 0.5065 0.187 Uiso 1 1 calc R . . C16 C 0.65181(13) 0.7633(5) 0.6605(2) 0.0391(11) Uani 1 1 d . . . C21 C 0.65281(16) 0.4496(6) 0.6673(3) 0.0546(14) Uani 1 1 d . . . H21A H 0.6676 0.5164 0.6636 0.066 Uiso 1 1 calc R . . C22 C 0.6635(2) 0.3300(7) 0.6559(4) 0.0699(18) Uani 1 1 d . . . H22A H 0.6856 0.3161 0.6451 0.084 Uiso 1 1 calc R . . C23 C 0.6409(2) 0.2322(7) 0.6608(4) 0.081(2) Uani 1 1 d . . . H23A H 0.6481 0.1520 0.6534 0.097 Uiso 1 1 calc R . . C24 C 0.6085(3) 0.2507(7) 0.6762(4) 0.084(2) Uani 1 1 d . . . H24A H 0.5933 0.1839 0.6781 0.100 Uiso 1 1 calc R . . C25 C 0.59806(18) 0.3690(6) 0.6888(3) 0.0613(15) Uani 1 1 d . . . H25A H 0.5761 0.3817 0.7005 0.074 Uiso 1 1 calc R . . C26 C 0.62018(14) 0.4694(5) 0.6842(3) 0.0452(12) Uani 1 1 d . . . C31 C 0.60219(15) 0.6136(5) 0.8035(3) 0.0439(11) Uani 1 1 d . . . C32 C 0.63309(16) 0.6390(5) 0.8696(3) 0.0529(13) Uani 1 1 d . . . H32A H 0.6557 0.6626 0.8638 0.063 Uiso 1 1 calc R . . C33 C 0.6294(2) 0.6283(6) 0.9436(3) 0.0706(19) Uani 1 1 d . . . H33A H 0.6497 0.6444 0.9883 0.085 Uiso 1 1 calc R . . C34 C 0.5966(2) 0.5949(7) 0.9518(4) 0.086(2) Uani 1 1 d . . . H34A H 0.5943 0.5911 1.0021 0.103 Uiso 1 1 calc R . . C35 C 0.5668(2) 0.5665(7) 0.8879(4) 0.081(2) Uani 1 1 d . . . H35A H 0.5446 0.5404 0.8948 0.097 Uiso 1 1 calc R . . C36 C 0.56926(17) 0.5762(6) 0.8130(3) 0.0594(15) Uani 1 1 d . . . H36A H 0.5488 0.5575 0.7691 0.071 Uiso 1 1 calc R . . C41 C 0.56530(14) 0.6733(5) 0.6368(3) 0.0463(12) Uani 1 1 d . . . C42 C 0.55048(18) 0.6181(7) 0.5652(3) 0.076(2) Uani 1 1 d . . . H42A H 0.5611 0.5460 0.5538 0.092 Uiso 1 1 calc R . . C43 C 0.5196(2) 0.6689(9) 0.5090(4) 0.098(3) Uani 1 1 d . . . H43A H 0.5102 0.6323 0.4594 0.117 Uiso 1 1 calc R . . C44 C 0.5034(2) 0.7673(9) 0.5248(4) 0.092(2) Uani 1 1 d . . . H44A H 0.4819 0.7976 0.4874 0.110 Uiso 1 1 calc R . . C45 C 0.5178(2) 0.8270(8) 0.5962(5) 0.095(3) Uani 1 1 d . . . H45A H 0.5067 0.8991 0.6063 0.115 Uiso 1 1 calc R . . C46 C 0.54881(19) 0.7789(7) 0.6530(4) 0.076(2) Uani 1 1 d . . . H46A H 0.5585 0.8177 0.7018 0.091 Uiso 1 1 calc R . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Ru1 0.0362(2) 0.0384(2) 0.02843(19) 0.00274(15) 0.00897(13) -0.00174(17) P1 0.0440(7) 0.0497(8) 0.0299(6) 0.0007(5) 0.0147(5) -0.0018(6) Cl1 0.0576(8) 0.0643(9) 0.0598(8) 0.0202(7) 0.0215(6) 0.0220(7) O1 0.0400(17) 0.049(2) 0.0321(16) 0.0024(13) 0.0128(13) -0.0053(15) N1 0.042(2) 0.040(2) 0.0335(18) -0.0008(15) 0.0099(16) -0.0074(18) C1 0.056(3) 0.053(3) 0.049(3) -0.004(2) 0.017(2) -0.014(3) F1 0.218(6) 0.078(3) 0.157(5) -0.044(3) 0.093(5) -0.065(4) P2 0.0463(11) 0.0440(11) 0.0574(11) 0.0027(8) 0.0179(9) -0.0048(9) N2 0.048(2) 0.060(3) 0.0322(19) 0.0024(18) 0.0153(17) -0.010(2) F2 0.088(3) 0.163(5) 0.122(4) 0.077(4) 0.018(3) 0.002(3) C2 0.066(4) 0.064(4) 0.058(3) -0.020(3) 0.014(3) -0.026(3) P3 0.0525(13) 0.107(2) 0.0610(14) 0.000 0.0013(11) 0.000 F3 0.104(4) 0.111(4) 0.178(5) 0.047(3) 0.101(4) 0.029(3) C3 0.078(4) 0.098(5) 0.047(3) -0.030(3) 0.013(3) -0.033(4) C4 0.065(4) 0.078(4) 0.040(3) -0.010(3) 0.016(2) -0.022(3) F4 0.215(8) 0.230(9) 0.268(10) -0.146(8) 0.108(8) -0.005(7) C5 0.042(3) 0.050(3) 0.034(2) -0.001(2) 0.0109(19) -0.007(2) F5 0.069(3) 0.244(8) 0.193(7) -0.067(6) -0.028(4) 0.003(4) C6 0.069(4) 0.054(3) 0.037(3) 0.016(2) 0.008(2) -0.011(3) F6 0.142(5) 0.188(7) 0.120(4) -0.043(4) 0.033(4) 0.004(5) C7 0.051(3) 0.073(4) 0.035(2) 0.013(2) 0.017(2) -0.004(3) C8 0.061(3) 0.079(4) 0.029(2) -0.002(2) 0.016(2) 0.004(3) C9 0.055(3) 0.052(3) 0.032(2) -0.009(2) 0.004(2) -0.002(3) C10 0.044(3) 0.066(4) 0.035(2) 0.008(2) 0.003(2) -0.005(3) C11 0.057(3) 0.056(4) 0.038(3) 0.018(2) 0.010(2) 0.015(3) C12 0.090(5) 0.102(6) 0.064(4) -0.019(4) 0.029(4) 0.024(4) C13 0.080(5) 0.066(5) 0.082(4) 0.014(3) 0.013(4) 0.027(4) C14 0.096(6) 0.081(6) 0.102(6) 0.037(4) 0.000(4) 0.023(5) C15 0.144(9) 0.122(8) 0.135(8) 0.030(6) 0.083(7) 0.075(7) C16 0.039(2) 0.049(3) 0.030(2) 0.0026(18) 0.0123(18) 0.002(2) C21 0.057(3) 0.064(4) 0.046(3) 0.005(2) 0.021(2) 0.010(3) C22 0.074(4) 0.078(5) 0.062(4) 0.004(3) 0.027(3) 0.029(4) C23 0.112(6) 0.063(5) 0.072(4) -0.001(3) 0.036(4) 0.026(4) C24 0.112(6) 0.057(4) 0.086(5) -0.008(4) 0.038(5) -0.011(4) C25 0.076(4) 0.053(4) 0.066(3) -0.008(3) 0.037(3) -0.003(3) C26 0.053(3) 0.052(3) 0.032(2) 0.001(2) 0.016(2) 0.004(2) C31 0.059(3) 0.042(3) 0.036(2) -0.0020(19) 0.023(2) -0.005(2) C32 0.062(3) 0.061(4) 0.037(3) 0.005(2) 0.019(2) -0.003(3) C33 0.097(5) 0.083(5) 0.034(3) -0.002(3) 0.022(3) -0.026(4) C34 0.122(6) 0.104(6) 0.046(3) -0.011(3) 0.046(4) -0.038(5) C35 0.095(5) 0.103(6) 0.061(4) -0.012(4) 0.049(4) -0.042(4) C36 0.066(4) 0.070(4) 0.048(3) -0.010(3) 0.026(3) -0.020(3) C41 0.042(3) 0.060(4) 0.039(2) 0.004(2) 0.017(2) -0.002(2) C42 0.074(4) 0.093(5) 0.050(3) -0.017(3) 0.003(3) 0.032(4) C43 0.078(5) 0.145(8) 0.050(4) -0.012(4) -0.008(3) 0.039(5) C44 0.062(4) 0.132(8) 0.069(5) 0.012(5) 0.005(3) 0.026(5) C45 0.076(5) 0.101(6) 0.105(6) 0.003(5) 0.022(4) 0.040(4) C46 0.070(4) 0.083(5) 0.069(4) -0.019(3) 0.014(3) 0.014(4) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ru1 N1 2.095(4) . ? Ru1 O1 2.110(3) . ? Ru1 C10 2.152(5) . ? Ru1 C6 2.155(5) . ? Ru1 C7 2.171(5) . ? Ru1 C9 2.186(4) . ? Ru1 C11 2.191(5) . ? Ru1 C8 2.204(5) . ? Ru1 Cl1 2.3774(13) . ? P1 N2 1.619(4) . ? P1 C31 1.798(4) . ? P1 C26 1.798(5) . ? P1 C41 1.801(5) . ? O1 C16 1.267(5) . ? N1 C1 1.335(6) . ? N1 C5 1.341(6) . ? C1 C2 1.387(7) . ? C1 H1A 0.9300 . ? F1 P2 1.553(5) . ? P2 F1 1.553(5) 7_656 ? P2 F2 1.565(4) . ? P2 F2 1.565(4) 7_656 ? P2 F3 1.570(4) 7_656 ? P2 F3 1.570(4) . ? N2 C16 1.314(6) . ? C2 C3 1.380(9) . ? C2 H2B 0.9300 . ? P3 F4 1.498(7) . ? P3 F4 1.498(7) 2_656 ? P3 F5 1.534(5) 2_656 ? P3 F5 1.534(5) . ? P3 F6 1.602(7) . ? P3 F6 1.602(7) 2_656 ? C3 C4 1.361(8) . ? C3 H3A 0.9300 . ? C4 C5 1.388(7) . ? C4 H4A 0.9300 . ? C5 C16 1.480(7) . ? C6 C7 1.390(8) . ? C6 C11 1.417(8) . ? C6 H6A 0.9800 . ? C7 C8 1.416(8) . ? C7 H7A 0.9800 . ? C8 C9 1.401(8) . ? C8 C12 1.496(9) . ? C9 C10 1.404(8) . ? C9 H9A 0.9800 . ? C10 C11 1.408(8) . ? C10 H10A 0.9800 . ? C11 C13 1.508(9) . ? C12 H12A 0.9600 . ? C12 H12B 0.9600 . ? C12 H12C 0.9600 . ? C13 C15 1.461(11) . ? C13 C14 1.547(9) . ? C13 H13A 0.9800 . ? C14 H14A 0.9600 . ? C14 H14B 0.9600 . ? C14 H14C 0.9600 . ? C15 H15A 0.9600 . ? C15 H15B 0.9600 . ? C15 H15C 0.9600 . ? C21 C26 1.380(7) . ? C21 C22 1.391(9) . ? C21 H21A 0.9300 . ? C22 C23 1.382(10) . ? C22 H22A 0.9300 . ? C23 C24 1.359(11) . ? C23 H23A 0.9300 . ? C24 C25 1.379(10) . ? C24 H24A 0.9300 . ? C25 C26 1.390(8) . ? C25 H25A 0.9300 . ? C31 C36 1.373(7) . ? C31 C32 1.396(7) . ? C32 C33 1.378(7) . ? C32 H32A 0.9300 . ? C33 C34 1.347(9) . ? C33 H33A 0.9300 . ? C34 C35 1.358(9) . ? C34 H34A 0.9300 . ? C35 C36 1.375(7) . ? C35 H35A 0.9300 . ? C36 H36A 0.9300 . ? C41 C42 1.358(7) . ? C41 C46 1.377(8) . ? C42 C43 1.387(8) . ? C42 H42A 0.9300 . ? C43 C44 1.303(11) . ? C43 H43A 0.9300 . ? C44 C45 1.375(11) . ? C44 H44A 0.9300 . ? C45 C46 1.383(9) . ? C45 H45A 0.9300 . ? C46 H46A 0.9300 . ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag N1 Ru1 O1 76.72(13) . . ? N1 Ru1 C10 137.04(19) . . ? O1 Ru1 C10 90.45(17) . . ? N1 Ru1 C6 94.28(18) . . ? O1 Ru1 C6 137.5(2) . . ? C10 Ru1 C6 68.0(2) . . ? N1 Ru1 C7 109.62(19) . . ? O1 Ru1 C7 170.77(16) . . ? C10 Ru1 C7 80.4(2) . . ? C6 Ru1 C7 37.5(2) . . ? N1 Ru1 C9 173.46(19) . . ? O1 Ru1 C9 105.56(17) . . ? C10 Ru1 C9 37.8(2) . . ? C6 Ru1 C9 79.9(2) . . ? C7 Ru1 C9 67.4(2) . . ? N1 Ru1 C11 105.36(19) . . ? O1 Ru1 C11 103.78(17) . . ? C10 Ru1 C11 37.8(2) . . ? C6 Ru1 C11 38.0(2) . . ? C7 Ru1 C11 68.4(2) . . ? C9 Ru1 C11 68.2(2) . . ? N1 Ru1 C8 142.8(2) . . ? O1 Ru1 C8 138.42(19) . . ? C10 Ru1 C8 68.0(2) . . ? C6 Ru1 C8 68.0(2) . . ? C7 Ru1 C8 37.8(2) . . ? C9 Ru1 C8 37.2(2) . . ? C11 Ru1 C8 81.1(2) . . ? N1 Ru1 Cl1 83.13(12) . . ? O1 Ru1 Cl1 83.62(10) . . ? C10 Ru1 Cl1 136.67(17) . . ? C6 Ru1 Cl1 137.20(17) . . ? C7 Ru1 Cl1 103.53(16) . . ? C9 Ru1 Cl1 103.15(15) . . ? C11 Ru1 Cl1 169.71(15) . . ? C8 Ru1 Cl1 88.63(16) . . ? N2 P1 C31 104.3(2) . . ? N2 P1 C26 112.7(2) . . ? C31 P1 C26 107.1(2) . . ? N2 P1 C41 112.8(2) . . ? C31 P1 C41 108.7(2) . . ? C26 P1 C41 110.8(2) . . ? C16 O1 Ru1 115.3(3) . . ? C1 N1 C5 118.8(4) . . ? C1 N1 Ru1 125.8(3) . . ? C5 N1 Ru1 114.7(3) . . ? N1 C1 C2 121.5(5) . . ? N1 C1 H1A 119.2 . . ? C2 C1 H1A 119.2 . . ? F1 P2 F1 180.0(5) 7_656 . ? F1 P2 F2 87.8(3) 7_656 . ? F1 P2 F2 92.2(4) . . ? F1 P2 F2 92.2(4) 7_656 7_656 ? F1 P2 F2 87.8(4) . 7_656 ? F2 P2 F2 179.997(2) . 7_656 ? F1 P2 F3 91.4(3) 7_656 7_656 ? F1 P2 F3 88.6(3) . 7_656 ? F2 P2 F3 91.4(3) . 7_656 ? F2 P2 F3 88.6(3) 7_656 7_656 ? F1 P2 F3 88.6(3) 7_656 . ? F1 P2 F3 91.4(3) . . ? F2 P2 F3 88.6(3) . . ? F2 P2 F3 91.4(3) 7_656 . ? F3 P2 F3 179.998(1) 7_656 . ? C16 N2 P1 122.9(3) . . ? C3 C2 C1 119.2(5) . . ? C3 C2 H2B 120.4 . . ? C1 C2 H2B 120.4 . . ? F4 P3 F4 91.3(9) . 2_656 ? F4 P3 F5 94.2(5) . 2_656 ? F4 P3 F5 90.9(4) 2_656 2_656 ? F4 P3 F5 91.0(4) . . ? F4 P3 F5 94.2(5) 2_656 . ? F5 P3 F5 172.7(7) 2_656 . ? F4 P3 F6 174.8(5) . . ? F4 P3 F6 93.1(5) 2_656 . ? F5 P3 F6 88.5(4) 2_656 . ? F5 P3 F6 86.0(4) . . ? F4 P3 F6 93.1(5) . 2_656 ? F4 P3 F6 174.8(6) 2_656 2_656 ? F5 P3 F6 86.0(4) 2_656 2_656 ? F5 P3 F6 88.5(4) . 2_656 ? F6 P3 F6 82.6(6) . 2_656 ? C4 C3 C2 119.3(5) . . ? C4 C3 H3A 120.4 . . ? C2 C3 H3A 120.4 . . ? C3 C4 C5 118.9(5) . . ? C3 C4 H4A 120.5 . . ? C5 C4 H4A 120.5 . . ? N1 C5 C4 122.2(5) . . ? N1 C5 C16 114.3(4) . . ? C4 C5 C16 123.5(4) . . ? C7 C6 C11 121.8(5) . . ? C7 C6 Ru1 71.9(3) . . ? C11 C6 Ru1 72.4(3) . . ? C7 C6 H6A 118.6 . . ? C11 C6 H6A 118.6 . . ? Ru1 C6 H6A 118.6 . . ? C6 C7 C8 120.6(5) . . ? C6 C7 Ru1 70.6(3) . . ? C8 C7 Ru1 72.4(3) . . ? C6 C7 H7A 119.1 . . ? C8 C7 H7A 119.1 . . ? Ru1 C7 H7A 119.1 . . ? C9 C8 C7 118.3(5) . . ? C9 C8 C12 121.3(6) . . ? C7 C8 C12 120.4(6) . . ? C9 C8 Ru1 70.7(3) . . ? C7 C8 Ru1 69.8(3) . . ? C12 C8 Ru1 129.0(4) . . ? C8 C9 C10 120.7(5) . . ? C8 C9 Ru1 72.1(3) . . ? C10 C9 Ru1 69.8(3) . . ? C8 C9 H9A 118.9 . . ? C10 C9 H9A 118.9 . . ? Ru1 C9 H9A 118.9 . . ? C9 C10 C11 121.6(5) . . ? C9 C10 Ru1 72.4(3) . . ? C11 C10 Ru1 72.6(3) . . ? C9 C10 H10A 118.8 . . ? C11 C10 H10A 118.8 . . ? Ru1 C10 H10A 118.8 . . ? C10 C11 C6 117.0(5) . . ? C10 C11 C13 123.0(6) . . ? C6 C11 C13 120.0(6) . . ? C10 C11 Ru1 69.6(3) . . ? C6 C11 Ru1 69.6(3) . . ? C13 C11 Ru1 130.8(4) . . ? C8 C12 H12A 109.5 . . ? C8 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C8 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C15 C13 C11 115.7(6) . . ? C15 C13 C14 111.9(7) . . ? C11 C13 C14 107.1(6) . . ? C15 C13 H13A 107.2 . . ? C11 C13 H13A 107.2 . . ? C14 C13 H13A 107.2 . . ? C13 C14 H14A 109.5 . . ? C13 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C13 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? C13 C15 H15A 109.5 . . ? C13 C15 H15B 109.5 . . ? H15A C15 H15B 109.5 . . ? C13 C15 H15C 109.5 . . ? H15A C15 H15C 109.5 . . ? H15B C15 H15C 109.5 . . ? O1 C16 N2 125.9(4) . . ? O1 C16 C5 117.1(4) . . ? N2 C16 C5 117.0(4) . . ? C26 C21 C22 120.0(6) . . ? C26 C21 H21A 120.0 . . ? C22 C21 H21A 120.0 . . ? C23 C22 C21 119.2(6) . . ? C23 C22 H22A 120.4 . . ? C21 C22 H22A 120.4 . . ? C24 C23 C22 121.3(7) . . ? C24 C23 H23A 119.4 . . ? C22 C23 H23A 119.4 . . ? C23 C24 C25 119.7(7) . . ? C23 C24 H24A 120.2 . . ? C25 C24 H24A 120.2 . . ? C24 C25 C26 120.4(6) . . ? C24 C25 H25A 119.8 . . ? C26 C25 H25A 119.8 . . ? C21 C26 C25 119.4(5) . . ? C21 C26 P1 120.1(4) . . ? C25 C26 P1 120.3(4) . . ? C36 C31 C32 120.1(4) . . ? C36 C31 P1 122.2(4) . . ? C32 C31 P1 117.6(4) . . ? C33 C32 C31 118.6(5) . . ? C33 C32 H32A 120.7 . . ? C31 C32 H32A 120.7 . . ? C34 C33 C32 120.6(6) . . ? C34 C33 H33A 119.7 . . ? C32 C33 H33A 119.7 . . ? C33 C34 C35 121.1(5) . . ? C33 C34 H34A 119.5 . . ? C35 C34 H34A 119.5 . . ? C34 C35 C36 120.2(6) . . ? C34 C35 H35A 119.9 . . ? C36 C35 H35A 119.9 . . ? C31 C36 C35 119.5(5) . . ? C31 C36 H36A 120.3 . . ? C35 C36 H36A 120.3 . . ? C42 C41 C46 119.0(5) . . ? C42 C41 P1 122.3(4) . . ? C46 C41 P1 118.4(4) . . ? C41 C42 C43 120.3(6) . . ? C41 C42 H42A 119.9 . . ? C43 C42 H42A 119.9 . . ? C44 C43 C42 120.9(7) . . ? C44 C43 H43A 119.6 . . ? C42 C43 H43A 119.6 . . ? C43 C44 C45 120.7(7) . . ? C43 C44 H44A 119.6 . . ? C45 C44 H44A 119.6 . . ? C44 C45 C46 119.5(7) . . ? C44 C45 H45A 120.3 . . ? C46 C45 H45A 120.3 . . ? C41 C46 C45 119.7(6) . . ? C41 C46 H46A 120.2 . . ? C45 C46 H46A 120.2 . . ? _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 27.45 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.811 _refine_diff_density_min -0.481 _refine_diff_density_rms 0.115