data_JEWYAM_cation_relaxed _audit_creation_date 2017-08-02 _audit_creation_method 'Materials Studio' _symmetry_space_group_name_H-M 'P1' _symmetry_Int_Tables_number 1 _symmetry_cell_setting triclinic loop_ _symmetry_equiv_pos_as_xyz x,y,z _cell_length_a 18.1754 _cell_length_b 18.1766 _cell_length_c 18.1983 _cell_angle_alpha 90.0000 _cell_angle_beta 90.0000 _cell_angle_gamma 90.0000 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 Mn1 Mn 0.89959 0.52556 0.02270 0.00000 Uiso 1.00 Mn2 Mn 0.15477 0.52681 0.02401 0.00000 Uiso 1.00 Mn3 Mn 0.02457 0.89666 0.52723 0.00000 Uiso 1.00 Mn4 Mn 0.02245 0.15332 0.52600 0.00000 Uiso 1.00 Mn5 Mn 0.52702 0.02432 0.90043 0.00000 Uiso 1.00 Mn6 Mn 0.52918 0.02600 0.15160 0.00000 Uiso 1.00 Mn7 Mn 0.52377 0.89686 0.02677 0.00000 Uiso 1.00 Mn8 Mn 0.52350 0.15317 0.02748 0.00000 Uiso 1.00 Mn9 Mn 0.89914 0.02565 0.52030 0.00000 Uiso 1.00 Mn10 Mn 0.15046 0.02460 0.52278 0.00000 Uiso 1.00 Mn11 Mn 0.02750 0.52556 0.15007 0.00000 Uiso 1.00 Mn12 Mn 0.02604 0.52354 0.89820 0.00000 Uiso 1.00 H13 H 0.75205 0.75019 0.13039 0.00000 Uiso 1.00 H14 H 0.29921 0.29932 0.13062 0.00000 Uiso 1.00 H15 H 0.30086 0.75626 0.91847 0.00000 Uiso 1.00 H16 H 0.75229 0.29940 0.92082 0.00000 Uiso 1.00 H17 H 0.14575 0.74550 0.73754 0.00000 Uiso 1.00 H18 H 0.13027 0.30307 0.29806 0.00000 Uiso 1.00 H19 H 0.91965 0.29588 0.75185 0.00000 Uiso 1.00 H20 H 0.92103 0.74912 0.29799 0.00000 Uiso 1.00 H21 H 0.73372 0.14677 0.74033 0.00000 Uiso 1.00 H22 H 0.30817 0.14688 0.31397 0.00000 Uiso 1.00 H23 H 0.75260 0.91746 0.29974 0.00000 Uiso 1.00 H24 H 0.30489 0.92125 0.74669 0.00000 Uiso 1.00 H25 H 0.75257 0.75318 0.92595 0.00000 Uiso 1.00 H26 H 0.29910 0.29695 0.91888 0.00000 Uiso 1.00 H27 H 0.75276 0.30020 0.12920 0.00000 Uiso 1.00 H28 H 0.29327 0.75315 0.13016 0.00000 Uiso 1.00 H29 H 0.75610 0.12787 0.29340 0.00000 Uiso 1.00 H30 H 0.30158 0.13149 0.74788 0.00000 Uiso 1.00 H31 H 0.30327 0.90649 0.31292 0.00000 Uiso 1.00 H32 H 0.73629 0.90968 0.74810 0.00000 Uiso 1.00 H33 H 0.12536 0.74989 0.29909 0.00000 Uiso 1.00 H34 H 0.13126 0.29788 0.75050 0.00000 Uiso 1.00 H35 H 0.90602 0.74342 0.74303 0.00000 Uiso 1.00 H36 H 0.92058 0.30007 0.29788 0.00000 Uiso 1.00 C37 C 0.87385 0.68000 0.17609 0.00000 Uiso 1.00 C38 C 0.83960 0.74302 0.21091 0.00000 Uiso 1.00 C39 C 0.17997 0.37304 0.17777 0.00000 Uiso 1.00 C40 C 0.21376 0.30985 0.21314 0.00000 Uiso 1.00 C41 C 0.18019 0.68566 0.87190 0.00000 Uiso 1.00 C42 C 0.21705 0.74573 0.83384 0.00000 Uiso 1.00 C43 C 0.87338 0.36854 0.87221 0.00000 Uiso 1.00 C44 C 0.83747 0.30626 0.83753 0.00000 Uiso 1.00 C45 C 0.18380 0.87209 0.67439 0.00000 Uiso 1.00 C46 C 0.21992 0.83776 0.73697 0.00000 Uiso 1.00 C47 C 0.17836 0.18342 0.37326 0.00000 Uiso 1.00 C48 C 0.21425 0.21915 0.31110 0.00000 Uiso 1.00 C49 C 0.86929 0.17855 0.67881 0.00000 Uiso 1.00 C50 C 0.83248 0.21500 0.74034 0.00000 Uiso 1.00 C51 C 0.87381 0.86993 0.36917 0.00000 Uiso 1.00 C52 C 0.83957 0.83599 0.30577 0.00000 Uiso 1.00 C53 C 0.67587 0.18250 0.87110 0.00000 Uiso 1.00 C54 C 0.73818 0.21750 0.83520 0.00000 Uiso 1.00 C55 C 0.37055 0.17954 0.18004 0.00000 Uiso 1.00 C56 C 0.30931 0.21684 0.21668 0.00000 Uiso 1.00 C57 C 0.68153 0.87105 0.17817 0.00000 Uiso 1.00 C58 C 0.74509 0.83680 0.21210 0.00000 Uiso 1.00 C59 C 0.37309 0.87429 0.87038 0.00000 Uiso 1.00 C60 C 0.31053 0.84034 0.83443 0.00000 Uiso 1.00 C61 C 0.67622 0.87032 0.87494 0.00000 Uiso 1.00 C62 C 0.73793 0.83410 0.83940 0.00000 Uiso 1.00 C63 C 0.37068 0.17706 0.87102 0.00000 Uiso 1.00 C64 C 0.30701 0.21081 0.83667 0.00000 Uiso 1.00 C65 C 0.68407 0.17657 0.17349 0.00000 Uiso 1.00 C66 C 0.74695 0.21122 0.20854 0.00000 Uiso 1.00 C67 C 0.36519 0.87233 0.18012 0.00000 Uiso 1.00 C68 C 0.30396 0.83559 0.21626 0.00000 Uiso 1.00 C69 C 0.87608 0.17634 0.36578 0.00000 Uiso 1.00 C70 C 0.84111 0.21110 0.30297 0.00000 Uiso 1.00 C71 C 0.17887 0.17814 0.67842 0.00000 Uiso 1.00 C72 C 0.21314 0.21149 0.74229 0.00000 Uiso 1.00 C73 C 0.17560 0.86960 0.37375 0.00000 Uiso 1.00 C74 C 0.21008 0.83346 0.31120 0.00000 Uiso 1.00 C75 C 0.86746 0.87062 0.68212 0.00000 Uiso 1.00 C76 C 0.82923 0.83373 0.74211 0.00000 Uiso 1.00 C77 C 0.17358 0.68154 0.17579 0.00000 Uiso 1.00 C78 C 0.20763 0.74375 0.21264 0.00000 Uiso 1.00 C79 C 0.17934 0.36890 0.87124 0.00000 Uiso 1.00 C80 C 0.21253 0.30476 0.83738 0.00000 Uiso 1.00 C81 C 0.87299 0.68214 0.87618 0.00000 Uiso 1.00 C82 C 0.83418 0.74198 0.83922 0.00000 Uiso 1.00 C83 C 0.87350 0.37046 0.17668 0.00000 Uiso 1.00 C84 C 0.83981 0.30659 0.21038 0.00000 Uiso 1.00 C85 C 0.77646 0.77427 0.18006 0.00000 Uiso 1.00 C86 C 0.27646 0.27753 0.18228 0.00000 Uiso 1.00 C87 C 0.27829 0.77848 0.86693 0.00000 Uiso 1.00 C88 C 0.77381 0.27667 0.86910 0.00000 Uiso 1.00 C89 C 0.19032 0.77341 0.76708 0.00000 Uiso 1.00 C90 C 0.18157 0.27958 0.27624 0.00000 Uiso 1.00 C91 C 0.86776 0.27447 0.77437 0.00000 Uiso 1.00 C92 C 0.87121 0.77353 0.27400 0.00000 Uiso 1.00 C93 C 0.76552 0.18941 0.76890 0.00000 Uiso 1.00 C94 C 0.28016 0.19061 0.28309 0.00000 Uiso 1.00 C95 C 0.77654 0.86775 0.27504 0.00000 Uiso 1.00 C96 C 0.28091 0.87094 0.77035 0.00000 Uiso 1.00 C97 C 0.77285 0.77420 0.87297 0.00000 Uiso 1.00 C98 C 0.27521 0.27310 0.86879 0.00000 Uiso 1.00 C99 C 0.77728 0.27516 0.17841 0.00000 Uiso 1.00 C100 C 0.27068 0.77531 0.18176 0.00000 Uiso 1.00 C101 C 0.77901 0.17903 0.27068 0.00000 Uiso 1.00 C102 C 0.27639 0.18025 0.77308 0.00000 Uiso 1.00 C103 C 0.27550 0.86224 0.28266 0.00000 Uiso 1.00 C104 C 0.76536 0.86316 0.77368 0.00000 Uiso 1.00 C105 C 0.17640 0.77346 0.27648 0.00000 Uiso 1.00 C106 C 0.18118 0.27373 0.77440 0.00000 Uiso 1.00 C107 C 0.86042 0.77017 0.77246 0.00000 Uiso 1.00 C108 C 0.87148 0.27512 0.27297 0.00000 Uiso 1.00 N109 N 0.89940 0.59457 0.09714 0.00000 Uiso 1.00 N110 N 0.85043 0.64593 0.11190 0.00000 Uiso 1.00 N111 N 0.15560 0.45762 0.09660 0.00000 Uiso 1.00 N112 N 0.20455 0.40724 0.11355 0.00000 Uiso 1.00 N113 N 0.15632 0.59483 0.94834 0.00000 Uiso 1.00 N114 N 0.20618 0.64585 0.93069 0.00000 Uiso 1.00 N115 N 0.89979 0.45373 0.95153 0.00000 Uiso 1.00 N116 N 0.85021 0.40327 0.93599 0.00000 Uiso 1.00 N117 N 0.09710 0.89889 0.59596 0.00000 Uiso 1.00 N118 N 0.11670 0.84927 0.64481 0.00000 Uiso 1.00 N119 N 0.09718 0.15449 0.45611 0.00000 Uiso 1.00 N120 N 0.11404 0.20602 0.40798 0.00000 Uiso 1.00 N121 N 0.94982 0.15215 0.59152 0.00000 Uiso 1.00 N122 N 0.93022 0.20171 0.64367 0.00000 Uiso 1.00 N123 N 0.95194 0.89459 0.45572 0.00000 Uiso 1.00 N124 N 0.93657 0.84508 0.40540 0.00000 Uiso 1.00 N125 N 0.59543 0.09947 0.90065 0.00000 Uiso 1.00 N126 N 0.64429 0.11611 0.85001 0.00000 Uiso 1.00 N127 N 0.46112 0.09679 0.15362 0.00000 Uiso 1.00 N128 N 0.40979 0.11496 0.20896 0.00000 Uiso 1.00 N129 N 0.59670 0.95019 0.15134 0.00000 Uiso 1.00 N130 N 0.64850 0.93613 0.20028 0.00000 Uiso 1.00 N131 N 0.45757 0.95315 0.89972 0.00000 Uiso 1.00 N132 N 0.40841 0.93759 0.84824 0.00000 Uiso 1.00 N133 N 0.59408 0.89850 0.95717 0.00000 Uiso 1.00 N134 N 0.64198 0.84694 0.93938 0.00000 Uiso 1.00 N135 N 0.45610 0.15317 0.95072 0.00000 Uiso 1.00 N136 N 0.40417 0.20102 0.93539 0.00000 Uiso 1.00 N137 N 0.59784 0.15058 0.09484 0.00000 Uiso 1.00 N138 N 0.64782 0.20095 0.11096 0.00000 Uiso 1.00 N139 N 0.45614 0.89536 0.10376 0.00000 Uiso 1.00 N140 N 0.40377 0.84687 0.12036 0.00000 Uiso 1.00 N141 N 0.90374 0.09417 0.44782 0.00000 Uiso 1.00 N142 N 0.85467 0.10982 0.39683 0.00000 Uiso 1.00 N143 N 0.15338 0.10038 0.59161 0.00000 Uiso 1.00 N144 N 0.20244 0.11478 0.64250 0.00000 Uiso 1.00 N145 N 0.14692 0.95429 0.45350 0.00000 Uiso 1.00 N146 N 0.19733 0.93603 0.40362 0.00000 Uiso 1.00 N147 N 0.89902 0.95185 0.59445 0.00000 Uiso 1.00 N148 N 0.84530 0.93721 0.64698 0.00000 Uiso 1.00 N149 N 0.09521 0.59664 0.14605 0.00000 Uiso 1.00 N150 N 0.10994 0.64697 0.19735 0.00000 Uiso 1.00 N151 N 0.10340 0.45724 0.89571 0.00000 Uiso 1.00 N152 N 0.11643 0.40477 0.84744 0.00000 Uiso 1.00 N153 N 0.95712 0.59220 0.90056 0.00000 Uiso 1.00 N154 N 0.93834 0.64464 0.84618 0.00000 Uiso 1.00 N155 N 0.95202 0.45672 0.15219 0.00000 Uiso 1.00 N156 N 0.93729 0.40527 0.20052 0.00000 Uiso 1.00 N157 N 0.15701 0.45624 0.94950 0.00000 Uiso 1.00 N158 N 0.20406 0.40362 0.93500 0.00000 Uiso 1.00 N159 N 0.90222 0.59387 0.95420 0.00000 Uiso 1.00 N160 N 0.85131 0.64590 0.93660 0.00000 Uiso 1.00 N161 N 0.89827 0.45667 0.09832 0.00000 Uiso 1.00 N162 N 0.84974 0.40517 0.11290 0.00000 Uiso 1.00 N163 N 0.15064 0.59795 0.09270 0.00000 Uiso 1.00 N164 N 0.19874 0.64929 0.11059 0.00000 Uiso 1.00 N165 N 0.95505 0.15059 0.45176 0.00000 Uiso 1.00 N166 N 0.93832 0.20120 0.40228 0.00000 Uiso 1.00 N167 N 0.94658 0.89470 0.59370 0.00000 Uiso 1.00 N168 N 0.92800 0.84529 0.64451 0.00000 Uiso 1.00 N169 N 0.09429 0.89829 0.45680 0.00000 Uiso 1.00 N170 N 0.11146 0.84656 0.40888 0.00000 Uiso 1.00 N171 N 0.09916 0.15387 0.59323 0.00000 Uiso 1.00 N172 N 0.11439 0.20191 0.64502 0.00000 Uiso 1.00 N173 N 0.45526 0.95205 0.15165 0.00000 Uiso 1.00 N174 N 0.40152 0.93770 0.20417 0.00000 Uiso 1.00 N175 N 0.59669 0.95458 0.90459 0.00000 Uiso 1.00 N176 N 0.64604 0.93658 0.85357 0.00000 Uiso 1.00 N177 N 0.45769 0.09956 0.89670 0.00000 Uiso 1.00 N178 N 0.40665 0.11370 0.84765 0.00000 Uiso 1.00 N179 N 0.60137 0.09469 0.14671 0.00000 Uiso 1.00 N180 N 0.65248 0.11056 0.19560 0.00000 Uiso 1.00 N181 N 0.45775 0.15213 0.09976 0.00000 Uiso 1.00 N182 N 0.40565 0.20194 0.11883 0.00000 Uiso 1.00 N183 N 0.59483 0.89518 0.09988 0.00000 Uiso 1.00 N184 N 0.64554 0.84602 0.11534 0.00000 Uiso 1.00 N185 N 0.45460 0.89866 0.95463 0.00000 Uiso 1.00 N186 N 0.40403 0.85032 0.93639 0.00000 Uiso 1.00 N187 N 0.59340 0.15429 0.95275 0.00000 Uiso 1.00 N188 N 0.64147 0.20564 0.93541 0.00000 Uiso 1.00 N189 N 0.15224 0.95329 0.59245 0.00000 Uiso 1.00 N190 N 0.20512 0.93619 0.63970 0.00000 Uiso 1.00 N191 N 0.90048 0.94966 0.45329 0.00000 Uiso 1.00 N192 N 0.85159 0.93525 0.40163 0.00000 Uiso 1.00 N193 N 0.89619 0.09644 0.58807 0.00000 Uiso 1.00 N194 N 0.84086 0.11377 0.63978 0.00000 Uiso 1.00 N195 N 0.14960 0.09988 0.45395 0.00000 Uiso 1.00 N196 N 0.19987 0.11699 0.40483 0.00000 Uiso 1.00 N197 N 0.95441 0.45254 0.89743 0.00000 Uiso 1.00 N198 N 0.93815 0.40183 0.84866 0.00000 Uiso 1.00 N199 N 0.95252 0.59410 0.15080 0.00000 Uiso 1.00 N200 N 0.93772 0.64518 0.19978 0.00000 Uiso 1.00 N201 N 0.09990 0.45706 0.15009 0.00000 Uiso 1.00 N202 N 0.11550 0.40637 0.19998 0.00000 Uiso 1.00 N203 N 0.09835 0.59796 0.90278 0.00000 Uiso 1.00 N204 N 0.11308 0.65160 0.84985 0.00000 Uiso 1.00 Cl205 Cl 0.02629 0.49930 0.02374 0.00000 Uiso 1.00 Cl206 Cl 0.02412 0.02588 0.54683 0.00000 Uiso 1.00 Cl207 Cl 0.50307 0.02584 0.02648 0.00000 Uiso 1.00 Mn208 Mn 0.85234 1.02753 1.68898 0.00000 Uiso 1.00 Mn209 Mn 1.02376 0.69518 1.85700 0.00000 Uiso 1.00 Mn210 Mn 0.36045 1.02858 1.19913 0.00000 Uiso 1.00 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _ccdc_geom_bond_type Mn1 N109 1.846 . S Mn1 N115 1.839 1_554 S Mn1 N159 1.760 1_554 S Mn1 N161 1.861 . S Mn1 Cl205 2.352 1_655 S Mn2 N111 1.824 . S Mn2 N113 1.851 1_554 S Mn2 N157 1.867 1_554 S Mn2 N163 1.800 . S Mn2 Cl205 2.388 . S Mn3 N117 1.818 . S Mn3 N123 1.854 1_455 S Mn3 N167 1.864 1_455 S Mn3 N169 1.803 . S Mn3 Cl206 2.376 1_565 S Mn4 N119 1.861 . S Mn4 N121 1.779 1_455 S Mn4 N165 1.824 1_455 S Mn4 N171 1.855 . S Mn4 Cl206 2.348 . S Mn5 N125 1.847 . S Mn5 N131 1.807 1_545 S Mn5 N175 1.793 1_545 S Mn5 N177 1.861 . S Mn5 Cl207 2.335 1_556 S Mn6 N127 1.785 . S Mn6 N129 1.845 1_545 S Mn6 N173 1.900 1_545 S Mn6 N179 1.813 . S Mn6 Cl207 2.326 . S Mn7 N133 1.799 1_554 S Mn7 N139 1.864 . S Mn7 N183 1.854 . S Mn7 N185 1.818 1_554 S Mn7 Cl207 2.374 1_565 S Mn8 N135 1.858 1_554 S Mn8 N137 1.825 . S Mn8 N181 1.777 . S Mn8 N187 1.861 1_554 S Mn8 Cl207 2.344 . S Mn9 N141 1.816 . S Mn9 N147 1.903 1_545 S Mn9 N191 1.843 1_545 S Mn9 N193 1.783 . S Mn9 Cl206 2.322 1_655 S Mn10 N143 1.863 . S Mn10 N145 1.796 1_545 S Mn10 N189 1.814 1_545 S Mn10 N195 1.855 . S Mn10 Cl206 2.338 . S Mn11 N149 1.786 . S Mn11 N155 1.857 1_455 S Mn11 N199 1.846 1_455 S Mn11 N201 1.812 . S Mn11 Cl205 2.348 . S Mn12 N151 1.852 . S Mn12 N153 1.769 1_455 S Mn12 N197 1.833 1_455 S Mn12 N203 1.888 . S Mn12 Cl205 2.327 1_556 S H13 C85 1.098 . S H14 C86 1.101 . S H15 C87 1.100 . S H16 C88 1.100 . S H17 C89 1.097 . S H18 C90 1.100 . S H19 C91 1.099 . S H20 C92 1.099 . S H21 C93 1.098 . S H22 C94 1.098 . S H23 C95 1.099 . S H24 C96 1.101 . S H25 C97 1.101 . S H26 C98 1.099 . S H27 C99 1.099 . S H28 C100 1.101 . S H29 C101 1.100 . S H30 C102 1.098 . S H31 C103 1.098 . S H32 C104 1.100 . S H33 C105 1.102 . S H34 C106 1.098 . S H35 C107 1.100 . S H36 C108 1.099 . S C37 C38 1.449 . S C37 N110 1.389 . D C37 N200 1.391 . S C38 C85 1.398 . S C38 C92 1.399 . D C39 C40 1.453 . S C39 N112 1.397 . D C39 N202 1.379 . S C40 C86 1.400 . D C40 C90 1.401 . S C41 C42 1.456 . S C41 N114 1.375 . S C41 N204 1.426 . D C42 C87 1.399 . D C42 C89 1.402 . S C43 C44 1.451 . S C43 N116 1.387 . S C43 N198 1.391 . D C44 C88 1.399 . D C44 C91 1.399 . S C45 C46 1.455 . S C45 N118 1.396 . D C45 N190 1.381 . S C46 C89 1.399 . D C46 C96 1.401 . S C47 C48 1.458 . S C47 N120 1.391 . D C47 N196 1.393 . S C48 C90 1.401 . D C48 C94 1.401 . S C49 C50 1.463 . S C49 N122 1.346 . D C49 N194 1.469 . S C50 C91 1.401 . D C50 C93 1.403 . S C51 C52 1.449 . S C51 N124 1.393 . D C51 N192 1.386 . S C52 C92 1.398 . S C52 C95 1.399 . D C53 C54 1.454 . S C53 N126 1.390 . S C53 N188 1.392 . D C54 C88 1.399 . S C54 C93 1.401 . D C55 C56 1.464 . S C55 N128 1.471 . S C55 N182 1.347 . D C56 C86 1.402 . S C56 C94 1.403 . D C57 C58 1.450 . S C57 N130 1.386 . S C57 N184 1.394 . D C58 C85 1.399 . D C58 C95 1.398 . S C59 C60 1.450 . S C59 N132 1.378 . S C59 N186 1.396 . D C60 C87 1.399 . S C60 C96 1.400 . D C61 C62 1.452 . S C61 N134 1.394 . S C61 N176 1.379 . D C62 C97 1.401 . D C62 C104 1.399 . S C63 C64 1.451 . S C63 N136 1.390 . S C63 N178 1.391 . D C64 C98 1.399 . D C64 C102 1.399 . S C65 C66 1.453 . S C65 N138 1.388 . D C65 N180 1.390 . S C66 C99 1.398 . D C66 C101 1.400 . S C67 C68 1.455 . S C67 N140 1.374 . D C67 N174 1.428 . S C68 C100 1.400 . S C68 C103 1.401 . D C69 C70 1.452 . S C69 N142 1.390 . D C69 N166 1.387 . S C70 C101 1.400 . D C70 C108 1.399 . S C71 C72 1.451 . S C71 N144 1.392 . D C71 N172 1.389 . S C72 C102 1.399 . D C72 C106 1.400 . S C73 C74 1.456 . S C73 N146 1.382 . D C73 N170 1.394 . S C74 C103 1.399 . S C74 C105 1.401 . D C75 C76 1.458 . S C75 N148 1.427 . D C75 N168 1.375 . S C76 C104 1.401 . D C76 C107 1.401 . S C77 C78 1.453 . S C77 N150 1.373 . S C77 N164 1.400 . D C78 C100 1.399 . D C78 C105 1.401 . S C79 C80 1.450 . S C79 N152 1.386 . D C79 N158 1.395 . S C80 C98 1.399 . S C80 C106 1.399 . D C81 C82 1.461 . S C81 N154 1.474 . S C81 N160 1.341 . D C82 C97 1.401 . S C82 C107 1.402 . D C83 C84 1.449 . S C83 N156 1.390 . S C83 N162 1.390 . D C84 C99 1.399 . S C84 C108 1.399 . D N109 N110 1.318 . S N109 N199 1.373 . S N111 N112 1.313 . S N111 N201 1.404 . S N113 Mn2 1.851 1_556 S N113 N114 1.336 . D N113 N203 1.342 . S N115 Mn1 1.839 1_556 S N115 N116 1.316 . D N115 N197 1.398 . S N117 N118 1.316 . S N117 N189 1.409 . S N119 N120 1.318 . S N119 N195 1.376 . S N121 Mn4 1.779 1_655 S N121 N122 1.356 . S N121 N193 1.407 . S N123 Mn3 1.854 1_655 S N123 N124 1.314 . S N123 N191 1.371 . S N125 N126 1.315 . D N125 N187 1.376 . S N127 N128 1.412 . D N127 N181 1.406 . S N128 Mn210 1.817 1_544 S N129 Mn6 1.845 1_565 S N129 N130 1.321 . D N129 N183 1.370 . S N131 Mn5 1.807 1_565 S N131 N132 1.325 . D N131 N185 1.408 . S N133 Mn7 1.799 1_556 S N133 N134 1.320 . D N133 N175 1.399 . S N135 Mn8 1.858 1_556 S N135 N136 1.313 . D N135 N177 1.385 . S N137 N138 1.323 . S N137 N179 1.388 . S N139 N140 1.332 . S N139 N173 1.350 . D N141 N142 1.318 . S N141 N165 1.388 . S N143 N144 1.312 . S N143 N171 1.385 . S N145 Mn10 1.796 1_565 S N145 N146 1.332 . S N145 N169 1.398 . S N147 Mn9 1.903 1_565 S N147 N148 1.392 . S N147 N167 1.352 . S N148 Mn208 1.816 1_554 S N149 N150 1.334 . D N149 N163 1.399 . S N151 N152 1.318 . S N151 N157 1.381 . S N153 Mn12 1.769 1_655 S N153 N154 1.416 . D N153 N159 1.396 . S N154 Mn209 1.815 1_554 S N155 Mn11 1.857 1_655 S N155 N156 1.311 . D N155 N161 1.384 . S N157 Mn2 1.867 1_556 S N157 N158 1.310 . D N159 Mn1 1.760 1_556 S N159 N160 1.361 . S N161 N162 1.313 . S N163 N164 1.320 . S N165 Mn4 1.824 1_655 S N165 N166 1.323 . D N167 Mn3 1.864 1_655 S N167 N168 1.333 . D N169 N170 1.320 . D N171 N172 1.314 . D N173 Mn6 1.900 1_565 S N173 N174 1.391 . S N174 Mn210 1.815 1_554 S N175 Mn5 1.793 1_565 S N175 N176 1.332 . S N177 N178 1.313 . S N179 N180 1.318 . D N181 N182 1.355 . S N183 N184 1.314 . S N185 Mn7 1.818 1_556 S N185 N186 1.314 . S N187 Mn8 1.861 1_556 S N187 N188 1.317 . S N189 Mn10 1.814 1_565 S N189 N190 1.327 . D N191 Mn9 1.843 1_565 S N191 N192 1.320 . D N193 N194 1.413 . D N194 Mn208 1.817 1_544 S N195 N196 1.316 . D N197 Mn12 1.833 1_655 S N197 N198 1.313 . S N199 Mn11 1.846 1_655 S N199 N200 1.315 . D N201 N202 1.324 . D N203 N204 1.396 . S N204 Mn209 1.811 1_454 S Cl205 Mn1 2.352 1_455 S Cl205 Mn12 2.327 1_554 S Cl206 Mn9 2.322 1_455 S Cl206 Mn3 2.376 1_545 S Cl207 Mn7 2.374 1_545 S Cl207 Mn5 2.335 1_554 S Mn208 N194 1.817 1_566 S Mn208 N148 1.816 1_556 S Mn209 N204 1.811 1_656 S Mn209 N154 1.815 1_556 S Mn210 N128 1.817 1_566 S Mn210 N174 1.815 1_556 S