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. 2018 Oct 26;74(Pt 11):1658–1664. doi: 10.1107/S2056989018014895
x y z Uiso*/Ueq
C1 0.68127 (13) 0.26772 (14) 0.01098 (8) 0.0221 (4)
C2 0.68620 (13) 0.33626 (15) −0.04462 (8) 0.0246 (4)
C3 0.69022 (13) 0.39139 (14) −0.09095 (8) 0.0238 (4)
C4 0.69597 (14) 0.45734 (15) −0.14694 (8) 0.0255 (4)
H2 0.639622 0.453885 −0.177878 0.031*
C5 0.74656 (15) 0.56342 (15) −0.14185 (9) 0.0314 (4)
H3 0.720164 0.623037 −0.168012 0.038*
H4 0.774340 0.584306 −0.099389 0.038*
C6 0.79318 (16) 0.47400 (17) −0.17614 (10) 0.0357 (5)
H5 0.849734 0.439518 −0.154864 0.043*
H6 0.795549 0.478255 −0.223499 0.043*
C7 0.84593 (13) 0.30851 (14) 0.03345 (8) 0.0216 (4)
H7 0.829147 0.375167 0.009358 0.026*
C8 0.90582 (13) 0.33917 (15) 0.09268 (8) 0.0242 (4)
H8 0.923234 0.274419 0.117521 0.029*
H9 0.867750 0.386219 0.120380 0.029*
C9 0.99708 (14) 0.39662 (17) 0.07312 (9) 0.0311 (4)
H11 0.979370 0.464254 0.051400 0.037*
H10 1.036606 0.414083 0.112028 0.037*
C10 1.05599 (15) 0.3288 (2) 0.02837 (10) 0.0386 (5)
H13 1.111608 0.370733 0.013820 0.046*
H12 1.081342 0.266023 0.052129 0.046*
C11 0.99668 (15) 0.29143 (18) −0.02980 (9) 0.0344 (5)
H15 1.035268 0.240872 −0.054871 0.041*
H14 0.980910 0.353300 −0.057618 0.041*
C12 0.90331 (14) 0.23711 (15) −0.01041 (8) 0.0275 (4)
H17 0.863810 0.220094 −0.049399 0.033*
H16 0.918831 0.169466 0.012003 0.033*
C13 0.50831 (13) 0.24230 (15) −0.01777 (8) 0.0251 (4)
H18 0.525235 0.259981 −0.062842 0.030*
C14 0.44241 (14) 0.14592 (16) −0.01981 (9) 0.0293 (4)
H19 0.427183 0.124519 0.024470 0.035*
H20 0.475377 0.085598 −0.040437 0.035*
C15 0.34929 (14) 0.17201 (16) −0.05751 (9) 0.0303 (4)
H22 0.364137 0.184913 −0.103020 0.036*
H21 0.305130 0.110251 −0.055881 0.036*
C16 0.29970 (14) 0.26938 (18) −0.03075 (9) 0.0345 (5)
H24 0.242165 0.286411 −0.058018 0.041*
H23 0.277878 0.253451 0.013014 0.041*
C17 0.36628 (16) 0.36497 (17) −0.02816 (10) 0.0369 (5)
H25 0.333240 0.425682 −0.007993 0.044*
H26 0.382614 0.386012 −0.072302 0.044*
C18 0.45860 (15) 0.33863 (16) 0.01048 (10) 0.0328 (4)
H27 0.502652 0.400597 0.010098 0.039*
H28 0.442784 0.323783 0.055614 0.039*
C19 0.84880 (13) 0.27434 (14) 0.25053 (8) 0.0213 (4)
C20 0.85597 (13) 0.34902 (14) 0.30319 (8) 0.0236 (4)
C21 0.85812 (14) 0.41499 (15) 0.34448 (8) 0.0259 (4)
C22 0.85834 (17) 0.49612 (17) 0.39270 (9) 0.0364 (5)
H30 0.922987 0.522900 0.407681 0.044*
C23 0.7774 (2) 0.57704 (18) 0.39069 (11) 0.0444 (6)
H31 0.793351 0.651330 0.402858 0.053*
H32 0.727111 0.569752 0.356306 0.053*
C24 0.7808 (2) 0.4955 (2) 0.44195 (11) 0.0510 (7)
H34 0.732534 0.437550 0.439489 0.061*
H33 0.798758 0.519109 0.486029 0.061*
C25 0.68956 (13) 0.33810 (15) 0.22933 (8) 0.0235 (4)
H35 0.715959 0.403773 0.250527 0.028*
C26 0.63157 (14) 0.37183 (15) 0.16962 (8) 0.0255 (4)
H37 0.607557 0.307863 0.146445 0.031*
H36 0.673432 0.412041 0.140594 0.031*
C27 0.54659 (15) 0.44134 (17) 0.18814 (9) 0.0336 (5)
H38 0.570996 0.508103 0.207974 0.040*
H39 0.508123 0.460339 0.149046 0.040*
C28 0.48268 (16) 0.3839 (2) 0.23505 (10) 0.0408 (5)
H40 0.429548 0.431574 0.247395 0.049*
H41 0.454034 0.320153 0.214098 0.049*
C29 0.54070 (16) 0.3506 (2) 0.29479 (10) 0.0420 (6)
H43 0.498800 0.310458 0.323824 0.050*
H42 0.564340 0.414812 0.317882 0.050*
C30 0.62621 (14) 0.28122 (17) 0.27699 (9) 0.0310 (4)
H44 0.664916 0.263746 0.316245 0.037*
H45 0.602324 0.213672 0.257887 0.037*
C31 1.01589 (13) 0.21371 (14) 0.28045 (8) 0.0223 (4)
H46 1.000389 0.228954 0.326094 0.027*
C32 1.08503 (14) 0.29842 (16) 0.25785 (9) 0.0296 (4)
H47 1.055450 0.369628 0.262519 0.036*
H48 1.097814 0.287215 0.211865 0.036*
C33 1.17997 (15) 0.29393 (16) 0.29703 (10) 0.0319 (4)
H50 1.224839 0.348128 0.280692 0.038*
H49 1.167746 0.310826 0.342464 0.038*
C34 1.22609 (14) 0.18423 (17) 0.29290 (10) 0.0323 (4)
H52 1.244067 0.170104 0.248086 0.039*
H51 1.285534 0.182371 0.320300 0.039*
C35 1.15711 (15) 0.09852 (16) 0.31466 (10) 0.0311 (4)
H53 1.145601 0.107716 0.360982 0.037*
H54 1.186802 0.027682 0.308657 0.037*
C36 1.06089 (14) 0.10306 (15) 0.27715 (9) 0.0289 (4)
H56 1.071126 0.084213 0.231730 0.035*
H55 1.016155 0.050150 0.295016 0.035*
N1 0.75490 (11) 0.25596 (12) 0.05117 (7) 0.0213 (3)
N2 0.59761 (11) 0.21671 (13) 0.01815 (7) 0.0262 (3)
H1 0.5925 (16) 0.1765 (16) 0.0506 (9) 0.031*
N3 0.77203 (11) 0.26909 (11) 0.21253 (7) 0.0211 (3)
N4 0.92585 (11) 0.21171 (13) 0.24215 (7) 0.0232 (3)
H29 0.9211 (16) 0.1646 (15) 0.2125 (9) 0.028*
Co 0.75507 (2) 0.17118 (2) 0.13474 (2) 0.02071 (7)
Cl1 0.87506 (4) 0.04756 (3) 0.12921 (2) 0.02899 (11)
Cl2 0.61692 (4) 0.07705 (4) 0.14621 (2) 0.03201 (11)