#------------------------------------------------------------------------------ #$Date: 2019-11-10 19:02:25 +0200 (Sun, 10 Nov 2019) $ #$Revision: 225976 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/51/58/4515891.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4515891 loop_ _publ_author_name 'Berti, Beatrice' 'Ciabatti, Iacopo' 'Femoni, Cristina' 'Iapalucci, Maria Carmela' 'Zacchini, Stefano' _publ_section_title ; Cluster Core Isomerism Induced by Crystal Packing Effects in the [HCo15Pd9C3(CO)38]2- Molecular Nanocluster. ; _journal_issue 10 _journal_name_full 'ACS omega' _journal_page_first 13239 _journal_page_last 13250 _journal_paper_doi 10.1021/acsomega.8b02109 _journal_volume 3 _journal_year 2018 _chemical_formula_sum 'C79 H36 Co15 O38 P2 Pd9' _chemical_formula_weight 3496.57 _space_group_crystal_system trigonal _space_group_IT_number 146 _space_group_name_Hall 'R 3' _space_group_name_H-M_alt 'R 3 :H' _atom_sites_solution_hydrogens geom _audit_creation_method SHELXL-2014/7 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 18.9827(5) _cell_length_b 18.9827(5) _cell_length_c 22.7666(14) _cell_measurement_reflns_used 9947 _cell_measurement_temperature 293(2) _cell_measurement_theta_max 28.375 _cell_measurement_theta_min 2.176 _cell_volume 7104.7(5) _computing_cell_refinement 'APEX2 (Bruker AXS, 2006)' _computing_data_collection 'APEX2 (Bruker AXS, 2006)' _computing_data_reduction 'SAINT (Bruker AXS, 2004)' _computing_molecular_graphics 'SCHAKAL99 (Keller, 1999)' _computing_publication_material 'XCIF (Bruker AXS, 2001)' _computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)' _computing_structure_solution 'SHELXL-2014/7 (Sheldrick, 2014)' _diffrn_ambient_temperature 293(2) _diffrn_measured_fraction_theta_full 1.000 _diffrn_measured_fraction_theta_max 1.000 _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.0866 _diffrn_reflns_av_unetI/netI 0.0610 _diffrn_reflns_Laue_measured_fraction_full 1.000 _diffrn_reflns_Laue_measured_fraction_max 1.000 _diffrn_reflns_limit_h_max 23 _diffrn_reflns_limit_h_min -23 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_k_min -23 _diffrn_reflns_limit_l_max 27 _diffrn_reflns_limit_l_min -27 _diffrn_reflns_number 33436 _diffrn_reflns_point_group_measured_fraction_full 1.000 _diffrn_reflns_point_group_measured_fraction_max 1.000 _diffrn_reflns_theta_full 25.242 _diffrn_reflns_theta_max 25.680 _diffrn_reflns_theta_min 1.528 _exptl_absorpt_coefficient_mu 4.323 _exptl_absorpt_correction_T_max 0.7457 _exptl_absorpt_correction_T_min 0.2824 _exptl_absorpt_correction_type empirical _exptl_absorpt_process_details ; Data were corrected for Lorentz polarization and absorption effects (empirical absorption corrections SADABS). R(int) = 0.1724 (selected reflections only, before parameter refinement) R(int) = 0.0926 (selected reflections only, after parameter refinement) ; _exptl_crystal_colour black _exptl_crystal_density_diffrn 2.452 _exptl_crystal_description prism _exptl_crystal_F_000 4989 _exptl_crystal_size_max 0.240 _exptl_crystal_size_mid 0.180 _exptl_crystal_size_min 0.140 _refine_diff_density_max 1.732 _refine_diff_density_min -1.061 _refine_diff_density_rms 0.142 _refine_ls_abs_structure_details ; Refined as an inversion twin. ; _refine_ls_abs_structure_Flack 0.68(4) _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 1.034 _refine_ls_hydrogen_treatment constr _refine_ls_matrix_type full _refine_ls_number_parameters 431 _refine_ls_number_reflns 6008 _refine_ls_number_restraints 218 _refine_ls_restrained_S_all 1.038 _refine_ls_R_factor_all 0.0497 _refine_ls_R_factor_gt 0.0387 _refine_ls_shift/su_max 0.000 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+32.4285P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0935 _refine_ls_wR_factor_ref 0.1017 _reflns_Friedel_coverage 1.000 _reflns_Friedel_fraction_full 1.000 _reflns_Friedel_fraction_max 1.000 _reflns_number_gt 5191 _reflns_number_total 6008 _reflns_threshold_expression 'I > 2\s(I)' _cod_data_source_file ao8b02109_si_001.cif _cod_data_source_block 8 _cod_original_cell_volume 7104.7(6) _cod_database_code 4515891 _shelx_shelxl_version_number 2014/7 _shelx_space_group_comment ; The symmetry employed for this shelxl refinement is uniquely defined by the following loop, which should always be used as a source of symmetry information in preference to the above space-group names. They are only intended as comments. ; _shelx_estimated_absorpt_t_min 0.423 _shelx_estimated_absorpt_t_max 0.583 _shelx_res_file ; r3.res created by SHELXL-2014/7 TITL r3 in R3 CELL 0.71073 18.9827 18.9827 22.7666 90.000 90.000 120.000 ZERR 3.00 0.0005 0.0005 0.0014 0.000 0.000 0.000 LATT -3 SYMM -Y, X-Y, Z SYMM -X+Y, -X, Z SFAC C H O P Co Pd UNIT 237 108 114 6 45 27 l.s. 10 shel 0.82 99 acta BOND bond $h conf htab FMAP 2 PLAN 40 twin isor .01 o7 o9 o10 o11 o12 o13 o14 o15 size 0.24 0.18 0.14 temp 20 WGHT 0.039000 32.428501 BASF 0.67990 FVAR 0.02324 PD1 6 0.271787 0.698850 0.333691 11.00000 0.02913 0.02897 = 0.03390 -0.00064 -0.00148 0.01561 PD2 6 0.368124 0.760704 0.226210 11.00000 0.04673 0.04067 = 0.03631 0.00369 0.00172 0.02114 PD3 6 0.395050 0.858348 0.327451 11.00000 0.04049 0.03273 = 0.07131 -0.00266 0.01314 0.01554 CO1 5 0.119165 0.770416 0.291359 11.00000 0.04103 0.04728 = 0.05553 0.00796 0.00283 0.02916 CO2 5 0.253616 0.806294 0.245487 11.00000 0.05017 0.05477 = 0.05145 0.01901 0.01310 0.03595 CO3 5 0.128059 0.647751 0.263532 11.00000 0.04171 0.04014 = 0.04872 -0.00402 -0.00776 0.02292 CO4 5 0.137177 0.690054 0.379946 11.00000 0.04046 0.05947 = 0.04707 0.01433 0.00955 0.02690 CO5 5 0.248990 0.835681 0.358520 11.00000 0.03718 0.04176 = 0.06462 -0.01130 -0.00077 0.02137 C1 1 0.199263 0.739914 0.310830 11.00000 0.03857 0.02931 = 0.05060 0.00337 -0.00294 0.01744 C2 1 0.046751 0.673819 0.243057 11.00000 0.04439 0.06135 = 0.05852 -0.00055 -0.00390 0.02957 C3 1 0.333333 0.666667 0.160833 10.33333 0.05230 0.05230 = 0.05559 0.00000 0.00000 0.02615 C4 1 0.333333 0.666667 0.394093 10.33333 0.04930 0.04930 = 0.01815 0.00000 0.00000 0.02465 C5 1 0.145043 0.627858 0.435265 11.00000 0.05245 0.06693 = 0.04312 0.00436 0.00848 0.02985 C6 1 0.165459 0.833874 0.225830 11.00000 0.05458 0.05796 = 0.06117 0.00522 0.00815 0.02903 C7 1 0.328940 0.912786 0.247618 11.00000 0.05539 0.07857 = 0.09560 0.00776 -0.01868 0.02680 C8 1 0.267173 0.792456 0.169568 11.00000 0.07649 0.06741 = 0.06810 0.01635 0.02227 0.04345 C9 1 0.044870 0.796586 0.310998 11.00000 0.05432 0.05622 = 0.07445 0.01986 0.01946 0.03584 C10 1 0.215084 0.908542 0.357200 11.00000 0.09274 0.11327 = 0.07824 -0.00993 -0.00238 0.08106 C11 1 0.348385 0.907699 0.389286 11.00000 0.04894 0.04576 = 0.07404 -0.01363 -0.00482 0.02179 C12 1 0.040300 0.677686 0.397642 11.00000 0.05080 0.05578 = 0.06513 0.00658 0.00610 0.02821 C13 1 0.131388 0.607575 0.190615 11.00000 0.04426 0.04822 = 0.05950 -0.01742 -0.01700 0.02479 C14 1 0.203612 0.787631 0.431646 11.00000 0.07926 0.07882 = 0.05793 -0.00652 0.02082 0.04415 C15 1 0.045280 0.553798 0.298629 11.00000 0.05927 0.06348 = 0.09594 0.00609 -0.00549 0.04317 O2 3 -0.013551 0.649043 0.216224 11.00000 0.06976 0.08311 = 0.08519 -0.02121 -0.02954 0.04886 O3 3 0.333333 0.666667 0.111660 10.33333 0.10154 0.10154 = 0.01973 0.00000 0.00000 0.05077 O4 3 0.333333 0.666667 0.443719 10.33333 0.05639 0.05639 = 0.02733 0.00000 0.00000 0.02819 O5 3 0.149042 0.594773 0.475720 11.00000 0.07757 0.08903 = 0.05638 0.02795 0.00576 0.04146 O6 3 0.161095 0.873542 0.188953 11.00000 0.08340 0.09594 = 0.07602 0.03834 0.00895 0.06770 O7 3 0.366361 0.981082 0.241654 11.00000 0.07316 0.06194 = 0.13262 0.03243 -0.00344 0.01923 O8 3 0.264630 0.786123 0.118950 11.00000 0.12025 0.11022 = 0.05962 0.01801 0.00656 0.07232 O9 3 -0.001253 0.814943 0.323494 11.00000 0.10001 0.12225 = 0.09778 0.01342 0.01959 0.08748 O10 3 0.201952 0.959604 0.361357 11.00000 0.12602 0.09126 = 0.09531 -0.02137 -0.00929 0.08356 O11 3 0.388939 0.959495 0.421218 11.00000 0.06456 0.07919 = 0.09365 -0.04281 -0.00645 0.02073 O12 3 -0.020486 0.670495 0.413073 11.00000 0.06162 0.10361 = 0.09531 0.03093 0.03015 0.04800 O13 3 0.114064 0.588428 0.142738 11.00000 0.07997 0.12424 = 0.06108 -0.03651 -0.04096 0.05869 O14 3 0.210233 0.800742 0.482536 11.00000 0.09120 0.10851 = 0.07516 -0.02890 0.00278 0.02576 O15 3 -0.022496 0.505914 0.306943 11.00000 0.03742 0.05335 = 0.12361 0.01889 0.00253 0.01138 simu .01 p1 > c107 isor .01 c103 > c107 P1 4 0.000000 0.000000 0.240859 10.33333 0.03546 0.03546 = 0.03719 0.00000 0.00000 0.01773 C101 1 0.000000 0.000000 0.319471 10.33333 0.07764 0.07764 = 0.05150 0.00000 0.00000 0.03882 AFIX 33 H10A 2 0.025288 0.054997 0.333527 10.33333 -1.50000 H10B 2 -0.054997 -0.029709 0.333527 10.33333 -1.50000 H10C 2 0.029709 -0.025288 0.333527 10.33333 -1.50000 AFIX 0 C102 1 0.102694 0.055476 0.214189 11.00000 0.04277 0.03772 = 0.06360 -0.01091 0.00014 0.02069 C103 1 0.159230 0.037946 0.237422 11.00000 0.05370 0.05941 = 0.09348 -0.00439 -0.00838 0.03177 AFIX 43 H103 2 0.144158 -0.002022 0.266039 11.00000 -1.20000 AFIX 0 C104 1 0.238942 0.080737 0.217536 11.00000 0.05875 0.07235 = 0.11510 -0.00927 0.00108 0.03702 AFIX 43 H104 2 0.277122 0.067749 0.231436 11.00000 -1.20000 AFIX 0 C105 1 0.261066 0.141227 0.178009 11.00000 0.06338 0.07278 = 0.10325 -0.01034 0.02455 0.02600 AFIX 43 H105 2 0.315155 0.171392 0.166327 11.00000 -1.20000 AFIX 0 C106 1 0.202888 0.159517 0.153960 11.00000 0.06895 0.06639 = 0.08675 -0.00580 0.02658 0.01403 AFIX 43 H106 2 0.218011 0.200123 0.125848 11.00000 -1.20000 AFIX 0 C107 1 0.125565 0.116757 0.172803 11.00000 0.05063 0.04929 = 0.06585 -0.00584 0.01408 0.02024 AFIX 43 H107 2 0.086894 0.128398 0.157909 11.00000 -1.20000 AFIX 0 simu .01 p2 > c207 isor .01 c201 > c207 delu p2 c201 P2 4 0.333333 0.666667 0.640920 10.33333 0.09714 0.09714 = 0.04040 0.00000 0.00000 0.04857 C201 1 0.333333 0.666667 0.564712 10.33333 0.12764 0.12764 = 0.06000 0.00000 0.00000 0.06382 AFIX 33 H20A 2 0.388238 0.697659 0.550656 10.33333 -1.50000 H20B 2 0.309422 0.611762 0.550656 10.33333 -1.50000 H20C 2 0.302341 0.690578 0.550656 10.33333 -1.50000 AFIX 0 C202 1 0.229061 0.607806 0.665807 11.00000 0.08301 0.08947 = 0.06297 0.00034 -0.01072 0.04273 C203 1 0.204214 0.544678 0.705364 11.00000 0.08437 0.09014 = 0.07520 0.00063 -0.00356 0.04648 AFIX 43 H203 2 0.242002 0.531954 0.720500 11.00000 -1.20000 AFIX 0 C204 1 0.125093 0.500849 0.722471 11.00000 0.09849 0.09658 = 0.09723 0.00374 -0.00369 0.04584 AFIX 43 H204 2 0.109731 0.460964 0.751187 11.00000 -1.20000 AFIX 0 C205 1 0.067879 0.515515 0.697320 11.00000 0.09503 0.10879 = 0.10789 -0.00726 -0.00367 0.04627 AFIX 43 H205 2 0.013663 0.485074 0.708650 11.00000 -1.20000 AFIX 0 C206 1 0.088879 0.570313 0.658825 11.00000 0.09718 0.10764 = 0.10584 -0.00293 -0.00847 0.05246 AFIX 43 H206 2 0.048435 0.577849 0.642089 11.00000 -1.20000 AFIX 0 C207 1 0.170960 0.621761 0.639152 11.00000 0.09720 0.10042 = 0.09092 0.00121 -0.00922 0.04992 AFIX 43 H207 2 0.184467 0.661595 0.610644 11.00000 -1.20000 AFIX 0 HKLF 4 REM r3 in R3 REM R1 = 0.0387 for 5191 Fo > 4sig(Fo) and 0.0497 for all 6008 data REM 431 parameters refined using 218 restraints END WGHT 0.0390 32.4157 REM No hydrogen bonds found for HTAB generation REM Highest difference peak 1.732, deepest hole -1.061, 1-sigma level 0.142 Q1 1 0.4133 0.7480 0.2175 11.00000 0.05 1.73 Q2 1 0.3723 0.8414 0.2852 11.00000 0.05 0.87 Q3 1 0.3731 0.8127 0.2494 11.00000 0.05 0.84 Q4 1 0.3102 0.6901 0.6293 11.00000 0.05 0.61 Q5 1 0.2428 0.6546 0.3591 11.00000 0.05 0.58 Q6 1 0.2357 0.0643 0.2489 11.00000 0.05 0.58 Q7 1 0.1140 0.6666 0.3490 11.00000 0.05 0.57 Q8 1 0.1504 0.8012 0.3148 11.00000 0.05 0.54 Q9 1 0.3333 0.6667 0.6715 10.33333 0.05 0.53 Q10 1 0.1688 0.8270 0.2754 11.00000 0.05 0.52 Q11 1 0.2668 0.6237 0.6599 11.00000 0.05 0.52 Q12 1 0.2483 0.8072 0.3779 11.00000 0.05 0.52 Q13 1 0.0978 0.6389 0.3975 11.00000 0.05 0.49 Q14 1 0.2498 0.1387 0.1482 11.00000 0.05 0.48 Q15 1 0.2428 0.0814 0.1873 11.00000 0.05 0.46 Q16 1 0.2343 0.1646 0.1744 11.00000 0.05 0.46 Q17 1 0.1887 0.6113 0.2000 11.00000 0.05 0.45 Q18 1 0.2336 0.6526 0.6912 11.00000 0.05 0.44 Q19 1 0.2679 0.7528 0.3537 11.00000 0.05 0.44 Q20 1 0.3844 0.8180 0.1983 11.00000 0.05 0.43 Q21 1 0.0690 0.0493 0.2309 11.00000 0.05 0.43 Q22 1 0.1397 0.6439 0.3623 11.00000 0.05 0.42 Q23 1 0.1758 0.6956 0.2848 11.00000 0.05 0.41 Q24 1 0.2486 0.6494 0.2842 11.00000 0.05 0.41 Q25 1 0.0864 -0.0012 0.2413 11.00000 0.05 0.41 Q26 1 0.2212 0.6992 0.3155 11.00000 0.05 0.40 Q27 1 0.0772 0.0808 0.1052 11.00000 0.05 0.40 Q28 1 0.2864 0.8729 0.3433 11.00000 0.05 0.40 Q29 1 0.0928 0.0472 0.1436 11.00000 0.05 0.40 Q30 1 0.2367 0.5630 0.6634 11.00000 0.05 0.40 Q31 1 0.1528 0.6752 0.4276 11.00000 0.05 0.40 Q32 1 0.3107 0.6022 0.4454 11.00000 0.05 0.39 Q33 1 0.2677 0.1433 0.2148 11.00000 0.05 0.38 Q34 1 0.2926 0.6838 0.6733 11.00000 0.05 0.38 Q35 1 0.2026 0.6232 0.5988 11.00000 0.05 0.38 Q36 1 0.1662 0.7040 0.3323 11.00000 0.05 0.38 Q37 1 0.2275 0.8510 0.3745 11.00000 0.05 0.38 Q38 1 -0.0219 0.0293 0.2580 11.00000 0.05 0.37 Q39 1 0.1274 0.4922 0.6831 11.00000 0.05 0.37 Q40 1 0.1643 0.5278 0.4516 11.00000 0.05 0.37 ; _shelx_res_checksum 71460 _shelx_hkl_file ; 1 1 0 202.84 21.87 -2 1 0 185.21 21.88 1 -2 0 182.05 20.28 -2 1 0 232.96 19.25 1 -2 0 204.58 21.69 -1 2 0 199.81 21.87 2 -1 0 227.00 29.12 -1 2 0 192.80 19.26 -1 2 0 199.35 19.40 2 -1 0 196.93 20.28 -1 -1 0 217.82 21.68 -1 -1 0 210.89 19.26 0 -3 0 13.84 1.39 0 -3 0 10.83 1.25 -3 3 0 11.70 1.40 3 0 0 13.80 1.97 -3 3 0 12.55 1.22 3 0 0 12.22 1.25 3 0 0 12.54 1.39 3 -3 0 13.03 1.88 3 -3 0 11.21 1.38 0 3 0 13.90 1.23 0 3 0 12.92 1.20 0 3 0 11.31 1.36 -3 0 0 12.31 1.19 2 2 0 4.80 0.66 2 2 0 6.57 1.07 2 -4 0 5.57 0.73 2 -4 0 4.77 0.55 -4 2 0 5.08 0.67 -4 2 0 5.66 0.53 2 2 0 4.63 0.59 -2 4 0 4.77 0.60 -2 -2 0 5.77 0.57 -2 4 0 5.37 0.61 4 -2 0 5.65 1.11 4 -2 0 5.07 0.54 -2 -2 0 6.89 0.83 -2 4 0 5.12 0.71 -2 -2 0 3.45 0.70 4 -5 0 45.20 4.50 1 4 0 47.26 4.34 4 -5 0 52.18 6.55 4 -5 0 43.99 4.89 1 4 0 43.93 4.88 -5 1 0 44.89 4.27 -5 1 0 42.61 4.86 -4 5 0 41.84 4.94 -1 -4 0 53.17 4.91 5 -1 0 49.04 6.69 5 -1 0 41.04 4.50 -4 5 0 42.38 4.33 -1 -4 0 44.79 4.31 5 -1 0 41.59 4.82 1 -5 0 38.24 4.08 -5 4 0 46.11 3.90 4 1 0 44.68 6.08 1 -5 0 43.22 4.45 -5 4 0 37.16 4.46 4 1 0 43.15 4.46 4 1 0 38.08 4.09 5 -4 0 37.47 4.42 -1 5 0 38.69 4.41 5 -4 0 44.09 6.02 -1 5 0 41.55 3.96 -1 5 0 38.98 3.90 -4 -1 0 41.31 3.89 3 -6 0 52.04 5.29 3 3 0 50.14 5.28 -6 3 0 47.86 5.28 -6 3 0 43.81 5.22 3 -6 0 48.53 4.84 3 3 0 43.27 4.87 -6 3 0 53.98 4.61 -3 6 0 48.18 5.24 -3 -3 0 54.09 4.64 -3 6 0 41.04 4.65 6 -3 0 52.46 7.20 6 -3 0 49.94 4.84 -3 6 0 46.95 4.73 6 0 0 0.56 0.84 0 -6 0 1.05 0.23 0 -6 0 1.89 0.58 0 -6 0 1.00 0.27 6 0 0 1.78 0.25 -6 6 0 2.00 0.33 -6 6 0 0.58 0.30 6 0 0 0.58 0.38 -6 6 0 1.22 0.49 6 -6 0 0.99 0.45 6 -6 0 0.70 0.20 -6 0 0 1.08 0.59 0 6 0 1.21 0.27 -6 0 0 0.94 0.20 6 -6 0 1.29 0.78 0 6 0 0.91 0.30 5 -7 0 27.08 3.07 -7 2 0 26.46 2.60 5 -7 0 27.94 2.73 -7 2 0 26.97 2.99 -7 2 0 27.16 2.95 2 5 0 25.38 3.01 5 -7 0 32.16 4.11 -2 -5 0 26.33 2.67 7 -2 0 24.58 2.73 -5 7 0 28.36 2.97 -2 -5 0 30.10 3.22 -5 7 0 24.56 2.68 7 -2 0 28.33 4.29 7 -2 0 25.50 2.97 2 -7 0 32.10 3.30 2 -7 0 28.10 2.92 -7 5 0 26.91 3.27 5 2 0 30.87 3.25 5 2 0 27.33 2.96 5 2 0 30.92 4.53 7 -5 0 25.20 2.92 -5 -2 0 31.22 2.81 -2 7 0 31.04 2.91 -2 7 0 28.33 3.18 7 -5 0 28.93 3.23 7 -5 0 32.93 4.51 -2 7 0 27.90 2.83 -8 1 0 99.93 9.94 1 7 0 98.22 11.33 7 -8 0 117.36 15.16 1 7 0 113.13 10.08 7 -8 0 92.90 10.47 -8 1 0 96.77 11.27 7 -8 0 100.33 11.29 -1 -7 0 108.55 10.02 -7 8 0 105.54 10.01 -7 8 0 113.26 11.33 -7 8 0 100.83 11.41 8 -1 0 103.89 11.20 -1 -7 0 123.25 11.37 8 -1 0 101.36 10.48 8 -1 0 106.51 15.28 -8 4 0 60.32 5.58 4 -8 0 62.22 6.40 -8 4 0 58.67 6.32 4 4 0 58.52 6.38 4 4 0 65.84 8.70 4 -8 0 57.47 5.86 -8 4 0 57.06 6.39 -4 8 0 58.00 6.34 -4 8 0 49.65 5.63 -4 8 0 55.85 5.72 8 -4 0 63.79 8.69 -4 -4 0 64.46 5.63 8 -4 0 52.95 6.32 8 -4 0 59.84 5.86 -8 7 0 408.90 44.68 7 1 0 430.81 44.65 -8 7 0 409.26 39.28 7 1 0 404.35 41.37 1 -8 0 375.40 45.42 1 -8 0 383.88 41.36 7 1 0 417.07 59.49 1 -8 0 467.48 44.30 -1 8 0 400.17 44.61 8 -7 0 426.70 44.27 8 -7 0 365.09 41.35 -1 8 0 442.22 39.59 -7 -1 0 431.75 39.26 -1 8 0 424.61 39.29 8 -7 0 462.85 59.42 6 -9 0 10.89 2.04 -9 3 0 8.15 0.92 6 -9 0 9.57 0.97 6 -9 0 10.00 1.39 -9 3 0 8.65 1.05 3 6 0 12.38 1.98 3 6 0 7.32 1.25 -9 3 0 9.79 1.19 9 -3 0 7.79 1.84 -6 9 0 8.25 1.11 -6 9 0 9.99 1.14 9 -3 0 8.63 1.19 -3 -6 0 9.99 1.07 9 -3 0 9.23 0.98 -3 -6 0 6.74 1.45 6 3 0 58.60 6.48 -9 6 0 60.01 5.65 6 3 0 54.64 5.96 -9 6 0 55.70 6.50 6 3 0 57.99 8.81 3 -9 0 55.93 5.93 3 -9 0 65.51 6.51 -3 9 0 57.01 6.43 -3 9 0 54.54 5.70 -6 -3 0 66.56 5.68 -3 9 0 60.83 5.80 9 -6 0 60.46 5.93 9 -6 0 64.87 8.80 9 -6 0 59.50 6.44 0 -9 0 39.40 4.16 0 -9 0 38.39 3.56 9 0 0 34.15 5.52 0 -9 0 31.57 3.58 -9 9 0 32.70 4.07 -9 9 0 35.40 3.48 9 0 0 32.96 3.59 9 0 0 39.30 4.02 0 9 0 43.47 5.88 9 -9 0 34.94 3.57 9 -9 0 35.11 3.99 0 9 0 36.85 3.52 9 -9 0 39.59 5.44 -9 0 0 34.10 3.39 0 9 0 32.38 3.91 8 -10 0 20.29 3.18 2 8 0 18.55 2.21 8 -10 0 17.45 1.92 -10 2 0 18.12 2.09 8 -10 0 20.10 2.33 -10 2 0 18.47 1.82 2 8 0 25.43 3.73 -10 2 0 17.80 2.08 2 8 0 21.21 1.98 10 -2 0 17.26 2.14 -8 10 0 19.03 1.95 -8 10 0 17.30 2.42 10 -2 0 18.02 3.26 10 -2 0 17.68 1.93 -2 -8 0 18.37 1.96 -2 -8 0 19.46 2.69 -8 10 0 20.17 2.15 5 -10 0 8.51 1.00 -10 5 0 9.28 1.36 5 -10 0 9.56 1.45 -10 5 0 9.56 1.09 5 5 0 11.21 2.23 -10 5 0 8.96 0.96 5 5 0 8.51 1.29 -5 10 0 9.76 1.16 10 -5 0 10.21 1.01 -5 10 0 10.00 1.16 10 -5 0 8.07 1.27 10 -5 0 10.38 2.00 -5 -5 0 9.07 1.05 -5 10 0 9.14 1.17 -10 8 0 0.88 0.39 8 2 0 0.93 0.32 -10 8 0 0.63 0.58 2 -10 0 1.55 0.73 8 2 0 1.21 1.06 2 -10 0 0.96 0.27 -10 8 0 1.13 0.31 8 2 0 1.12 0.46 10 -8 0 0.63 0.22 10 -8 0 0.80 0.53 -8 -2 0 0.67 0.25 10 -8 0 1.30 1.05 -2 10 0 0.69 0.34 -2 10 0 1.08 0.42 -8 -2 0 0.12 0.66 -2 10 0 0.56 0.31 1 10 0 11.45 1.34 1 10 0 15.23 2.81 -11 1 0 11.55 1.07 10 -11 0 10.09 1.13 -11 1 0 7.18 1.61 1 10 0 10.31 1.43 10 -11 0 12.32 1.66 10 -11 0 13.29 2.51 -10 11 0 9.39 1.40 11 -1 0 10.17 1.17 -1 -10 0 7.73 1.30 -1 -10 0 9.19 1.17 11 -1 0 9.34 2.22 -10 11 0 11.14 1.59 -10 11 0 11.01 1.24 -1 -10 0 13.79 1.88 -1 -10 0 11.62 1.41 7 -11 0 19.31 2.22 -11 4 0 16.47 1.66 -11 4 0 16.87 1.88 -11 4 0 17.38 2.01 4 7 0 13.99 3.10 4 7 0 16.76 2.05 7 -11 0 17.59 1.75 11 -4 0 15.94 2.01 -4 -7 0 17.58 1.80 11 -4 0 17.20 3.15 11 -4 0 16.28 1.76 -7 11 0 17.59 1.96 -7 11 0 16.97 1.83 7 4 0 59.32 6.73 7 4 0 62.29 9.20 -11 7 0 62.29 5.86 7 4 0 57.69 6.20 4 -11 0 61.38 6.15 4 -11 0 66.74 6.79 -11 7 0 62.18 6.77 -4 11 0 60.50 6.01 11 -7 0 68.62 9.28 -4 11 0 54.60 5.92 11 -7 0 64.45 6.16 -4 11 0 58.96 6.67 11 -7 0 59.91 6.69 -7 -4 0 63.68 5.89 10 1 0 6.49 0.91 -11 10 0 6.63 0.93 10 1 0 5.65 1.81 -11 10 0 7.51 1.25 1 -11 0 6.32 0.87 10 1 0 7.03 1.07 1 -11 0 9.59 1.46 1 -11 0 7.36 1.10 -10 -1 0 7.90 0.81 -10 -1 0 5.71 1.29 -1 11 0 7.26 0.95 11 -10 0 8.50 0.84 11 -10 0 7.68 1.78 11 -10 0 7.89 1.20 -1 11 0 5.93 0.94 -12 3 0 103.67 10.39 3 9 0 102.65 9.32 -12 3 0 92.68 10.39 3 9 0 94.65 10.47 9 -12 0 97.66 10.49 9 -12 0 83.44 14.01 9 -12 0 94.44 9.63 -12 3 0 98.54 9.15 12 -3 0 93.04 14.21 -3 -9 0 96.76 9.25 -9 12 0 100.22 9.25 -9 12 0 104.39 10.44 -9 12 0 99.61 10.63 12 -3 0 95.84 9.64 12 -3 0 87.81 10.36 6 -12 0 15.15 2.01 -12 6 0 14.05 1.42 -12 6 0 13.46 1.61 6 -12 0 14.14 1.48 6 6 0 14.50 1.85 -12 6 0 14.00 1.88 6 6 0 17.82 3.28 12 -6 0 15.40 3.10 12 -6 0 13.94 1.83 12 -6 0 14.06 1.50 -6 12 0 14.39 1.58 -6 -6 0 13.57 1.51 -6 12 0 13.30 1.74 -6 12 0 13.68 1.69 -12 9 0 7.10 1.14 -12 9 0 5.52 0.83 9 3 0 4.87 1.74 9 3 0 6.29 0.92 9 3 0 6.56 0.87 -12 9 0 6.87 0.76 3 -12 0 6.28 0.74 3 -12 0 8.16 1.31 -9 -3 0 5.85 0.72 -3 12 0 4.76 0.78 12 -9 0 6.01 1.72 -3 12 0 5.72 0.86 -9 -3 0 2.56 1.07 12 -9 0 4.26 0.67 -3 12 0 6.43 0.82 12 -9 0 5.80 1.02 0 -12 0 20.83 2.36 -12 12 0 20.68 2.33 12 0 0 22.18 2.38 0 -12 0 20.28 3.32 -12 12 0 23.03 3.06 12 -12 0 21.39 4.12 12 -12 0 26.47 2.34 -12 0 0 22.39 2.22 0 12 0 22.85 2.43 -13 2 0 4.22 0.66 11 -13 0 5.00 0.66 2 11 0 6.12 0.83 -13 2 0 5.80 0.62 -13 2 0 4.86 1.36 13 -2 0 5.23 1.82 -11 13 0 3.04 0.74 -11 13 0 5.86 1.27 -11 13 0 4.93 0.76 -2 -11 0 5.61 0.77 13 -2 0 5.00 0.73 -2 -11 0 4.38 1.77 -13 5 0 159.08 16.38 8 -13 0 171.87 17.25 8 -13 0 179.17 18.64 -13 5 0 175.81 18.59 5 8 0 167.36 18.69 -13 5 0 171.63 18.66 13 -5 0 179.69 17.26 13 -5 0 161.53 18.51 13 -5 0 179.88 25.16 -5 -8 0 172.15 16.47 -8 13 0 187.39 18.66 -8 13 0 175.41 16.48 5 -13 0 2.48 0.94 -13 8 0 1.27 0.46 -13 8 0 2.55 0.44 8 5 0 2.25 0.64 8 5 0 3.37 1.63 -13 8 0 3.42 0.81 5 -13 0 2.44 0.40 13 -8 0 2.65 0.42 -5 13 0 2.01 0.49 -8 -5 0 2.04 0.87 -5 13 0 2.65 0.66 -5 13 0 3.73 0.63 13 -8 0 3.80 1.60 -8 -5 0 2.84 0.48 13 -8 0 2.50 0.78 11 2 0 5.15 0.73 11 2 0 4.28 0.78 11 2 0 4.89 0.94 2 -13 0 6.90 1.43 -13 11 0 5.71 1.21 2 -13 0 5.68 0.75 -13 11 0 4.29 0.84 -13 11 0 6.32 0.79 -11 -2 0 5.31 0.68 13 -11 0 4.65 0.72 13 -11 0 4.72 1.79 -2 13 0 6.43 0.91 -11 -2 0 4.13 1.24 13 -14 0 1.26 0.36 -14 1 0 0.89 1.20 13 -14 0 1.98 0.42 -14 1 0 1.38 0.34 1 13 0 1.29 0.59 -13 14 0 1.27 1.11 -1 -13 0 1.14 0.45 14 -1 0 1.63 0.56 14 -1 0 1.55 0.44 -13 14 0 1.59 0.52 -1 -13 0 2.60 1.72 -14 4 0 114.21 11.09 4 10 0 117.58 11.29 4 10 0 111.38 12.69 -14 4 0 126.91 12.60 4 10 0 141.85 17.76 10 -14 0 109.47 11.68 -10 14 0 116.59 11.20 14 -4 0 119.87 11.69 -4 -10 0 106.80 11.72 14 -4 0 114.97 17.26 -10 14 0 118.07 12.91 -14 7 0 38.93 4.18 -14 7 0 32.86 3.50 -14 7 0 31.92 3.98 7 7 0 38.51 6.30 7 -14 0 38.49 4.31 7 7 0 38.08 3.67 7 7 0 34.82 4.16 7 -14 0 36.81 3.68 -7 14 0 38.34 3.66 -7 14 0 35.64 3.74 -7 -7 0 34.03 3.75 14 -7 0 39.84 3.70 14 -7 0 42.01 6.13 -7 14 0 38.33 4.41 -7 -7 0 34.65 3.59 14 -7 0 34.42 4.13 -14 10 0 1.48 0.54 -14 10 0 2.46 0.89 4 -14 0 1.73 0.37 10 4 0 2.17 0.56 10 4 0 1.63 0.51 10 4 0 0.70 0.65 4 -14 0 1.16 1.03 -14 10 0 2.04 0.44 -4 14 0 0.83 0.54 14 -10 0 1.11 1.62 -4 14 0 1.75 0.66 -10 -4 0 0.58 0.91 -10 -4 0 1.38 0.39 14 -10 0 1.05 0.79 14 -10 0 0.88 0.35 -14 13 0 18.15 2.70 13 1 0 16.21 1.86 1 -14 0 16.87 1.81 13 1 0 14.91 1.90 13 1 0 15.63 2.45 -14 13 0 14.57 1.80 1 -14 0 20.18 2.76 -13 -1 0 17.66 1.70 -1 14 0 15.24 2.00 -13 -1 0 10.48 2.37 14 -13 0 16.84 3.25 14 -13 0 20.15 1.79 3 12 0 16.93 1.85 -15 3 0 16.85 1.55 3 12 0 14.24 2.07 12 -15 0 14.20 1.64 -15 3 0 11.16 2.34 -3 -12 0 15.25 1.73 -12 15 0 15.30 1.73 15 -3 0 16.28 1.68 15 -3 0 12.96 1.72 15 -3 0 14.15 3.20 -12 15 0 18.85 2.75 6 9 0 85.47 8.54 9 -15 0 87.31 9.69 9 -15 0 89.14 8.79 -15 6 0 92.24 9.48 -15 6 0 86.22 8.36 6 9 0 87.45 9.62 9 -15 0 80.47 8.43 15 -6 0 90.03 13.25 15 -6 0 93.84 8.81 -9 15 0 88.64 9.85 -9 15 0 91.03 8.48 -6 -9 0 84.71 8.86 -6 -9 0 85.80 8.46 9 6 0 5.16 0.99 6 -15 0 8.67 1.48 -15 9 0 7.67 1.20 6 -15 0 6.56 0.79 -15 9 0 5.07 0.75 -15 9 0 5.00 1.50 9 6 0 6.75 0.93 -15 9 0 3.87 0.82 15 -9 0 6.29 1.14 15 -9 0 5.64 0.84 -9 -6 0 6.29 0.89 -9 -6 0 3.11 1.15 -6 15 0 6.65 1.35 -6 15 0 5.99 1.01 -6 15 0 6.81 0.95 15 -9 0 4.71 2.08 15 -9 0 7.19 0.78 -9 -6 0 5.80 0.81 -15 12 0 38.26 3.87 12 3 0 36.91 3.96 -15 12 0 46.43 4.82 3 -15 0 40.62 3.99 12 3 0 42.33 4.56 12 3 0 42.71 4.07 3 -15 0 37.42 4.87 15 -12 0 34.21 3.99 -3 15 0 35.34 4.58 -12 -3 0 38.73 3.81 -3 15 0 38.86 4.03 15 -12 0 41.46 6.54 -15 15 0 8.83 1.72 15 0 0 4.98 0.98 15 0 0 6.21 0.86 0 -15 0 5.46 0.86 0 -15 0 5.06 2.00 -15 15 0 5.34 0.88 0 15 0 6.96 1.06 -15 0 0 6.63 0.80 15 -15 0 8.20 0.85 -15 0 0 2.74 1.50 15 -15 0 7.48 0.84 14 -16 0 0.67 0.32 2 14 0 0.35 0.53 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9.58 1.16 -16 14 0 9.18 1.81 -16 14 0 8.57 1.20 -14 -2 0 9.85 1.07 -2 16 0 10.07 1.37 -14 -2 0 5.96 1.72 -2 16 0 9.00 1.52 16 -14 0 10.61 1.14 1 16 0 2.36 0.71 16 -17 0 2.44 0.45 -17 1 0 0.41 1.36 -17 1 0 2.12 0.41 16 -17 0 2.17 0.40 -16 17 0 3.45 1.51 -16 17 0 1.65 0.54 17 -1 0 0.92 0.67 17 -1 0 1.63 0.49 -1 -16 0 1.15 0.51 -17 4 0 1.02 1.39 4 13 0 0.96 0.59 4 13 0 0.56 0.62 13 -17 0 1.61 0.44 -17 4 0 1.80 0.36 13 -17 0 1.29 0.36 17 -4 0 -1.21 1.59 17 -4 0 1.17 0.39 -4 -13 0 0.88 0.52 -13 17 0 0.29 0.44 17 -4 0 0.75 0.53 -13 17 0 1.88 1.31 10 -17 0 10.96 1.26 10 -17 0 12.17 1.97 10 -17 0 11.36 1.26 7 10 0 9.11 1.52 7 10 0 11.18 1.46 -17 7 0 11.11 1.21 -17 7 0 7.22 2.06 -10 17 0 13.98 2.09 -7 -10 0 10.62 1.37 17 -7 0 8.13 2.75 17 -7 0 10.56 1.32 -7 -10 0 11.80 1.40 17 -7 0 13.13 1.32 -10 17 0 11.61 1.43 7 -17 0 3.18 1.30 -17 10 0 4.72 1.09 -17 10 0 2.58 0.56 7 -17 0 3.26 0.54 -17 10 0 2.52 1.48 10 7 0 2.80 0.74 10 7 0 4.10 0.88 17 -10 0 3.31 2.07 -7 17 0 2.88 0.74 17 -10 0 4.24 0.60 17 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2.40 2.31 -6 -6 -27 1.74 1.02 12 -6 -27 0.42 0.72 6 6 27 2.81 2.00 -7 -4 -27 1.70 0.96 11 -7 -27 2.67 0.74 -11 7 27 -0.94 0.69 -11 7 27 -0.23 1.60 7 4 27 0.26 1.81 -7 -1 -27 5.35 0.95 8 -7 -27 5.25 0.99 -7 -1 -27 5.34 1.17 -1 8 -27 5.94 1.09 -8 7 27 2.58 1.87 1 -8 27 4.56 1.74 7 1 27 4.03 1.98 2 5 -27 2.19 0.76 5 -7 -27 1.66 0.66 -7 2 -27 1.67 0.62 -7 2 -27 1.98 0.84 7 -2 27 4.10 2.29 7 -2 27 1.33 1.62 -2 -5 27 11.34 3.52 -2 -5 27 1.63 1.46 -5 7 27 -0.76 1.76 2 -7 -27 -0.38 0.49 -7 5 -27 0.00 0.65 2 -7 -27 0.79 1.26 5 2 -27 -0.06 0.54 -7 5 -27 0.22 0.46 7 -5 27 0.70 1.98 -5 -2 27 1.28 3.31 -2 7 27 -0.18 1.79 7 -5 27 0.56 1.46 -5 -2 27 1.31 1.49 -7 8 -27 0.94 0.59 -1 -7 -27 1.24 1.15 8 -1 -27 1.90 0.71 -1 -7 -27 1.65 0.63 1 7 27 3.06 1.99 -8 1 27 1.74 1.54 7 -8 27 2.51 1.59 7 -8 27 3.53 2.27 -8 1 27 5.28 3.53 11 -4 -27 1.34 0.78 -4 -7 -27 0.10 0.50 -4 -7 -27 0.33 0.99 -7 11 -27 1.25 0.69 7 -11 27 2.12 2.21 -11 4 27 -0.99 0.66 -11 4 27 0.69 1.44 4 7 27 1.06 1.88 10 -8 -27 2.98 0.71 10 -8 -27 1.61 0.67 -2 10 -27 2.15 0.79 -8 -2 -27 1.99 0.90 2 -10 27 0.67 1.51 2 -10 27 6.70 2.95 -10 8 27 2.25 0.80 8 2 27 0.93 1.81 -10 8 27 0.40 1.72 -8 1 -27 2.93 0.92 7 -8 -27 2.15 0.71 1 7 -27 2.87 0.83 -8 1 -27 3.00 0.72 -1 -7 27 7.10 3.35 -1 -7 27 2.93 1.50 8 -1 27 4.32 1.85 -7 8 27 2.10 1.90 4 4 -27 1.63 0.70 4 -8 -27 1.49 0.61 -8 4 -27 1.89 0.81 -8 4 -27 0.75 0.54 -4 8 27 -0.12 1.83 8 -4 27 2.26 2.12 8 -4 27 2.56 1.60 -4 -4 27 -1.33 2.94 -4 -4 27 1.13 1.48 -8 7 -27 -0.01 0.69 1 -8 -27 0.66 0.55 -8 7 -27 0.55 0.51 7 1 -27 0.30 0.59 1 -8 -27 0.01 1.25 -7 -1 27 2.93 3.34 8 -7 27 1.70 1.51 -7 -1 27 -1.50 1.33 -1 8 27 0.05 1.85 8 -7 27 0.90 2.00 -2 -8 -27 -0.13 0.49 -8 10 -27 0.41 0.58 -2 -8 -27 1.20 1.19 2 8 27 -0.62 1.85 8 -10 27 1.15 2.07 -9 0 -27 1.10 0.80 9 -9 -27 -0.13 0.54 0 9 -27 0.64 0.71 -9 9 27 0.56 1.72 9 0 27 1.25 1.68 0 -9 27 -1.69 2.54 0 -9 27 -0.72 1.38 3 6 -27 -0.04 0.63 -9 3 -27 0.46 0.76 6 -9 -27 -0.01 0.53 -9 3 -27 0.73 0.54 9 -3 27 2.45 2.05 9 -3 27 1.19 1.63 -6 9 27 0.55 1.81 -3 -6 27 0.85 1.41 -3 -6 27 0.06 2.95 6 3 -27 1.72 0.73 -9 6 -27 1.57 0.82 3 -9 -27 1.84 0.64 -9 6 -27 1.23 0.57 3 -9 -27 1.01 1.49 9 -6 27 4.67 2.33 -6 -3 27 6.77 3.74 -6 -3 27 2.09 1.57 9 -6 27 1.88 1.55 -3 9 27 0.34 1.87 0 -9 -27 -0.14 1.34 -9 9 -27 0.28 0.53 0 -9 -27 0.13 0.54 0 9 27 3.06 2.01 9 -9 27 0.19 1.92 -10 -1 -27 0.24 0.77 2 8 -27 1.00 0.76 8 -10 -27 0.51 0.57 -10 2 -27 0.89 0.77 -2 -8 27 -0.21 2.83 -2 -8 27 -0.53 1.30 10 -2 27 0.76 1.67 -10 5 -27 1.12 0.57 -10 5 -27 0.78 0.79 5 -10 -27 1.64 0.64 5 5 -27 1.79 0.77 5 -10 -27 -1.17 1.55 10 -5 27 1.91 2.07 -5 -5 27 6.08 3.58 -5 10 27 -0.71 1.52 10 -5 27 1.39 1.57 -10 8 -27 0.11 0.51 -10 8 -27 0.27 0.54 2 -10 -27 -0.78 1.40 2 -10 -27 0.22 0.53 10 -8 27 0.41 1.82 -11 1 -27 1.66 0.83 -11 4 -27 3.43 1.01 4 7 -27 4.67 1.07 7 -11 -27 3.65 0.86 -4 -7 27 8.30 3.67 11 -4 27 5.81 1.84 4 -11 -27 1.03 0.61 11 -7 27 1.72 2.00 -7 -4 27 1.81 3.01 -6 -6 27 2.00 2.10 -1 0 -28 8.58 1.31 1 -1 -28 8.89 1.33 0 1 -28 7.84 1.31 1 0 28 7.03 2.17 0 -1 28 18.47 4.38 -1 1 28 5.19 2.16 0 -1 28 9.64 2.26 3 -2 -28 4.04 0.87 -2 -1 -28 3.90 0.85 -2 -1 -28 2.54 0.96 -1 3 -28 4.06 0.85 1 -3 28 14.23 3.84 -3 2 28 3.16 1.90 1 -3 28 3.84 1.82 2 1 28 4.38 2.02 0 -2 -28 4.77 0.91 -2 2 -28 3.88 0.85 2 0 -28 3.63 0.89 2 -2 28 4.67 1.87 -2 0 28 3.69 1.78 2 -2 28 12.71 3.61 0 2 28 2.27 1.95 -2 0 28 13.09 4.21 5 -3 -28 0.43 0.55 -2 5 -28 0.60 0.56 -3 -2 -28 0.53 0.55 -3 -2 -28 0.06 0.82 3 2 28 0.11 1.82 2 -5 28 -1.01 1.46 2 -5 28 1.79 2.77 -5 3 28 1.46 1.76 1 2 -28 0.60 0.58 -3 1 -28 0.42 0.56 2 -3 -28 0.59 0.58 -3 1 -28 0.39 0.72 -1 -2 28 0.99 1.59 3 -1 28 0.17 1.60 -2 3 28 2.20 1.92 3 -1 28 2.04 2.71 -1 -2 28 -0.35 2.91 -1 -3 -28 0.93 0.90 -1 -3 -28 1.16 0.60 4 -1 -28 0.89 0.59 -3 4 -28 1.25 0.60 -4 1 28 0.78 1.66 1 3 28 2.99 1.99 3 -4 28 0.58 1.58 3 -4 28 4.88 2.83 7 -4 -28 2.09 0.73 -3 7 -28 3.19 0.80 -4 -3 -28 3.04 0.74 -4 -3 -28 3.45 1.04 3 -7 28 10.06 3.21 4 3 28 1.59 1.94 3 -7 28 0.93 1.62 -7 4 28 -0.91 1.56 -4 0 -28 1.29 0.82 0 4 -28 1.25 0.63 -4 0 -28 1.10 0.59 4 -4 -28 1.25 0.64 0 -4 28 3.59 3.16 4 0 28 1.55 1.79 -4 4 28 -0.14 1.84 0 -4 28 1.29 1.60 3 1 -28 1.14 0.60 1 -4 -28 0.16 0.51 -4 3 -28 0.92 0.69 -4 3 -28 -0.08 0.50 4 -3 28 -1.24 1.54 -3 -1 28 0.59 3.13 4 -3 28 1.36 2.50 -3 -1 28 -1.02 1.51 -1 4 28 0.76 1.91 -4 6 -28 1.43 0.64 -2 -4 -28 1.29 0.62 6 -2 -28 1.79 0.67 -2 -4 -28 1.09 0.99 2 4 28 4.14 2.01 4 -6 28 1.70 1.59 4 -6 28 3.45 2.67 -6 2 28 2.50 1.69 -4 9 -28 0.13 0.63 -5 -4 -28 0.67 0.90 4 -9 28 1.21 2.48 5 4 28 2.70 1.94 -9 5 28 -0.62 1.53 -5 -1 -28 0.29 0.78 -5 -1 -28 0.85 0.57 6 -5 -28 0.84 0.60 -1 6 -28 1.56 0.68 -6 5 28 -1.25 1.69 1 -6 28 -0.88 1.42 1 -6 28 3.97 2.96 5 1 28 -1.84 1.67 -5 2 -28 0.27 0.70 -5 2 -28 0.04 0.48 3 -5 -28 0.44 0.55 2 3 -28 -0.35 0.51 -2 -3 28 2.04 3.13 -3 5 28 1.08 1.90 5 -2 28 -0.97 1.63 5 -2 28 0.57 2.32 -2 -3 28 1.18 1.58 5 0 -28 0.20 0.56 0 -5 -28 0.92 0.56 0 -5 -28 0.92 1.03 -5 5 -28 0.43 0.52 5 -5 28 0.68 2.24 0 5 28 0.85 1.91 -5 0 28 -2.62 3.04 -5 0 28 1.62 1.58 5 -5 28 -0.15 1.51 -5 8 -28 -0.72 0.52 -3 -5 -28 0.26 0.56 -3 -5 -28 -0.31 0.95 3 5 28 0.47 1.95 5 -8 28 -1.04 2.22 -8 3 28 0.42 1.63 5 -8 28 1.03 1.16 8 -6 -28 1.87 0.64 -2 8 -28 2.02 0.79 -6 -2 -28 3.45 1.04 6 2 28 2.04 1.95 2 -8 28 9.87 3.31 2 -8 28 1.87 1.59 -8 6 28 -0.07 1.74 -6 1 -28 0.55 0.52 5 -6 -28 -0.01 0.55 -6 1 -28 1.08 0.77 1 5 -28 0.18 0.58 -5 6 28 1.02 1.91 -1 -5 28 0.45 2.97 6 -1 28 0.20 2.21 -1 -5 28 0.13 1.43 6 -1 28 0.05 1.71 4 2 -28 0.73 0.61 2 -6 -28 0.12 0.53 2 -6 -28 0.78 1.15 -6 4 -28 0.26 0.66 -6 4 -28 -0.36 0.45 -4 -2 28 0.40 3.13 -2 6 28 2.50 2.01 6 -4 28 1.44 2.24 6 -4 28 -0.24 1.48 -4 -2 28 1.85 1.61 7 -1 -28 0.35 0.47 -1 -6 -28 1.23 1.16 -1 -6 -28 0.63 0.59 -6 7 -28 0.51 0.56 6 -7 28 0.23 1.40 6 -7 28 1.25 2.20 -7 1 28 4.39 3.54 1 6 28 0.25 1.98 -7 1 28 1.28 1.58 -4 -6 -28 0.92 0.69 -6 10 -28 0.59 0.66 -10 4 28 0.64 1.61 6 -10 28 0.26 2.24 -7 -3 -28 1.00 0.82 -3 10 -28 0.82 0.70 3 -10 28 3.72 2.75 0 7 -28 1.59 0.73 -7 0 -28 1.04 0.80 7 -7 -28 0.83 0.61 7 0 28 0.77 1.71 0 -7 28 2.37 1.55 0 -7 28 1.87 2.80 -7 7 28 -0.80 1.79 -7 3 -28 0.17 0.49 4 -7 -28 0.80 0.58 -7 3 -28 1.18 0.76 3 4 -28 0.64 0.61 -3 -4 28 1.23 1.54 7 -3 28 3.14 2.27 -4 7 28 -0.94 1.84 7 -3 28 1.08 1.64 -3 -4 28 -0.67 2.90 -7 6 -28 1.09 0.76 6 1 -28 -0.02 0.53 -7 6 -28 0.61 0.53 1 -7 -28 0.43 0.56 1 -7 -28 -0.04 1.20 7 -6 28 0.70 1.52 -6 -1 28 0.91 1.54 -6 -1 28 1.30 3.37 -1 7 28 0.39 1.90 7 -6 28 1.57 2.20 -2 -7 -28 -0.27 0.74 -7 9 -28 0.37 0.59 -2 -7 -28 0.70 0.47 7 -9 28 0.06 2.11 -9 2 28 0.35 1.45 -1 9 -28 0.03 0.63 -8 -1 -28 0.03 0.77 8 1 28 0.86 1.63 1 -9 28 0.80 1.11 1 -9 28 2.09 2.82 6 -8 -28 1.80 0.68 2 6 -28 1.06 0.71 -8 2 -28 1.17 0.82 8 -2 28 2.02 2.01 8 -2 28 2.10 1.81 -2 -6 28 1.41 1.52 -2 -6 28 4.91 3.31 -8 5 -28 2.27 0.66 3 -8 -28 2.46 0.72 3 -8 -28 0.18 1.33 5 3 -28 2.12 0.75 -8 5 -28 2.51 0.88 -5 -3 28 1.01 1.50 8 -5 28 3.57 1.59 8 -5 28 5.81 2.47 -5 -3 28 5.03 3.62 -8 8 -28 1.52 0.64 0 -8 -28 2.26 0.71 -8 0 28 1.83 1.54 8 -8 28 6.37 2.54 1 8 -28 1.05 0.74 -9 1 -28 0.47 0.70 9 -1 28 0.74 1.31 -1 -8 28 0.87 1.52 -1 -8 28 2.92 3.10 5 -9 -28 0.33 0.56 4 5 -28 0.97 0.59 -9 4 -28 0.39 0.65 -4 -5 28 3.03 1.59 -4 -5 28 -0.69 3.14 2 -9 -28 1.21 0.62 9 -7 28 0.97 2.02 7 -10 -28 0.49 0.50 -3 -7 28 0.79 1.48 -3 -7 28 0.58 2.88 4 -10 -28 1.41 0.64 -1 1 -29 6.14 1.10 0 -1 -29 6.15 1.11 1 0 -29 6.77 1.14 -1 0 29 6.00 2.16 -1 0 29 17.15 4.59 0 1 29 5.15 2.25 -2 0 -29 2.38 0.75 0 2 -29 2.54 0.73 -2 0 -29 1.91 0.92 2 -2 -29 2.78 0.77 -2 2 29 3.54 2.02 2 0 29 2.64 1.97 0 -2 29 2.22 1.79 0 -2 29 8.41 3.62 3 -1 -29 3.57 0.86 -1 -2 -29 3.33 1.10 -1 -2 -29 3.57 0.82 -2 3 -29 3.15 0.82 -3 1 29 2.99 1.96 2 -3 29 14.02 3.62 2 -3 29 6.25 1.97 1 2 29 2.27 1.99 -3 -1 -29 1.32 0.58 -3 -1 -29 1.80 0.91 4 -3 -29 1.63 0.61 -1 4 -29 1.42 0.66 3 1 29 2.45 1.95 -4 3 29 -0.46 1.77 1 -4 29 0.87 1.67 1 -4 29 6.28 3.20 2 1 -29 1.40 0.63 1 -3 -29 0.40 0.56 -3 2 -29 0.37 0.56 -1 3 29 2.45 2.05 3 -2 29 1.48 1.79 3 -2 29 1.09 2.71 -2 -1 29 0.36 1.66 -2 -1 29 1.89 3.23 -3 5 -29 -0.34 0.52 -2 -3 -29 -0.22 0.84 2 3 29 2.90 1.78 3 -5 29 1.08 2.66 3 -5 29 0.32 1.31 -5 2 29 0.52 1.73 -2 6 -29 1.06 0.62 -4 -2 -29 -0.40 0.62 -6 4 29 -0.78 1.55 2 -6 29 -0.71 2.61 -4 1 -29 0.12 0.70 1 3 -29 0.16 0.57 3 -4 -29 0.46 0.54 -4 1 -29 -0.44 0.41 -3 4 29 0.67 1.87 -1 -3 29 0.53 3.06 4 -1 29 0.37 2.53 4 -1 29 1.41 1.79 -1 -3 29 1.29 1.68 0 -4 -29 1.48 0.60 -4 4 -29 0.20 0.53 0 -4 -29 0.83 1.00 4 -4 29 -0.29 1.37 0 4 29 1.52 1.81 -4 0 29 0.51 1.69 -4 0 29 3.65 3.63 4 -4 29 4.12 2.68 -7 3 29 1.81 1.76 4 -7 29 2.14 2.53 3 -8 29 1.44 2.54 0 5 -29 -0.11 0.55 -5 0 -29 0.86 0.73 0 -5 29 1.48 2.94 0 -5 29 1.19 1.61 2 -5 -29 0.51 0.54 -5 3 -29 0.58 0.66 5 -3 29 0.67 1.26 -3 -2 29 1.06 1.67 -3 -2 29 2.24 3.53 5 -3 29 1.79 2.58 -5 6 -29 0.16 0.40 5 -6 29 1.91 2.49 -6 1 29 1.64 1.71 1 -7 29 0.86 2.61 -2 -4 29 1.69 1.60 -2 -4 29 0.70 3.10 6 -5 29 1.94 2.20 -5 -1 29 0.62 1.59 -1 -6 29 0.25 2.50 -1 -6 29 -0.41 1.16 -4 -3 29 2.16 1.67 -7 0 29 1.31 1.64 -3 -5 29 -0.48 1.45 0 0 0 0.00 0.00 ; _shelx_hkl_checksum 61490 loop_ _space_group_symop_operation_xyz 'x, y, z' '-y, x-y, z' '-x+y, -x, z' 'x+2/3, y+1/3, z+1/3' '-y+2/3, x-y+1/3, z+1/3' '-x+y+2/3, -x+1/3, z+1/3' 'x+1/3, y+2/3, z+2/3' '-y+1/3, x-y+2/3, z+2/3' '-x+y+1/3, -x+2/3, z+2/3' 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_site_symmetry_order _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_refinement_flags_adp _atom_site_refinement_flags_occupancy Pd1 Pd 0.27179(5) 0.69885(5) 0.33369(4) 0.0302(2) Uani 1 1 d . . . Pd2 Pd 0.36812(6) 0.76070(6) 0.22621(4) 0.0416(3) Uani 1 1 d . . . Pd3 Pd 0.39505(6) 0.85835(6) 0.32745(5) 0.0494(3) Uani 1 1 d . . . Co1 Co 0.11916(10) 0.77042(11) 0.29136(8) 0.0448(4) Uani 1 1 d . . . Co2 Co 0.25362(12) 0.80629(12) 0.24549(8) 0.0478(5) Uani 1 1 d . . . Co3 Co 0.12806(10) 0.64775(10) 0.26353(8) 0.0424(4) Uani 1 1 d . . . Co4 Co 0.13718(11) 0.69005(12) 0.37995(9) 0.0481(4) Uani 1 1 d . . . Co5 Co 0.24899(10) 0.83568(11) 0.35852(9) 0.0471(4) Uani 1 1 d . . . C1 C 0.1993(7) 0.7399(7) 0.3108(6) 0.039(3) Uani 1 1 d . . . C2 C 0.0468(8) 0.6738(9) 0.2431(7) 0.053(3) Uani 1 1 d . . . C3 C 0.3333 0.6667 0.1608(12) 0.053(6) Uani 1 3 d S T P C4 C 0.3333 0.6667 0.3941(9) 0.039(5) Uani 1 3 d S T P C5 C 0.1450(9) 0.6279(10) 0.4353(7) 0.054(3) Uani 1 1 d . . . C6 C 0.1655(9) 0.8339(10) 0.2258(7) 0.058(4) Uani 1 1 d . . . C7 C 0.3289(11) 0.9128(13) 0.2476(9) 0.079(5) Uani 1 1 d . . . C8 C 0.2672(11) 0.7925(11) 0.1696(8) 0.067(4) Uani 1 1 d . . . C9 C 0.0449(10) 0.7966(9) 0.3110(8) 0.058(4) Uani 1 1 d . . . C10 C 0.2151(12) 0.9085(13) 0.3572(9) 0.082(6) Uani 1 1 d . . . C11 C 0.3484(9) 0.9077(9) 0.3893(8) 0.057(4) Uani 1 1 d . . . C12 C 0.0403(9) 0.6777(9) 0.3976(7) 0.057(4) Uani 1 1 d . . . C13 C 0.1314(8) 0.6076(8) 0.1906(7) 0.050(3) Uani 1 1 d . . . C14 C 0.2036(11) 0.7876(11) 0.4316(8) 0.070(4) Uani 1 1 d . . . C15 C 0.0453(10) 0.5538(10) 0.2986(8) 0.067(5) Uani 1 1 d . . . O2 O -0.0136(7) 0.6490(7) 0.2162(6) 0.075(3) Uani 1 1 d . . . O3 O 0.3333 0.6667 0.1117(8) 0.074(6) Uani 1 3 d S T P O4 O 0.3333 0.6667 0.4437(7) 0.047(4) Uani 1 3 d S T P O5 O 0.1490(7) 0.5948(8) 0.4757(5) 0.074(3) Uani 1 1 d . . . O6 O 0.1611(7) 0.8735(8) 0.1890(5) 0.075(3) Uani 1 1 d . . . O7 O 0.3664(8) 0.9811(8) 0.2417(7) 0.096(4) Uani 1 1 d . U . O8 O 0.2646(10) 0.7861(9) 0.1190(6) 0.090(4) Uani 1 1 d . . . O9 O -0.0013(9) 0.8149(9) 0.3235(6) 0.092(4) Uani 1 1 d . U . O10 O 0.2020(9) 0.9596(8) 0.3614(6) 0.091(4) Uani 1 1 d . U . O11 O 0.3889(7) 0.9595(8) 0.4212(6) 0.086(4) Uani 1 1 d . U . O12 O -0.0205(7) 0.6705(8) 0.4131(6) 0.084(4) Uani 1 1 d . U . O13 O 0.1141(8) 0.5884(9) 0.1427(5) 0.085(4) Uani 1 1 d . U . O14 O 0.2102(9) 0.8007(9) 0.4825(6) 0.102(4) Uani 1 1 d . U . O15 O -0.0225(6) 0.5059(7) 0.3069(6) 0.076(3) Uani 1 1 d . U . P1 P 0.0000 0.0000 0.2409(2) 0.0360(11) Uani 1 3 d S TU P C101 C 0.0000 0.0000 0.3195(12) 0.069(7) Uani 1 3 d S TU P H10A H 0.0253 0.0550 0.3335 0.103 Uiso 0.3333 1 calc R U P H10B H -0.0550 -0.0297 0.3335 0.103 Uiso 0.3333 1 calc R U P H10C H 0.0297 -0.0253 0.3335 0.103 Uiso 0.3333 1 calc R U P C102 C 0.1027(8) 0.0555(7) 0.2142(7) 0.048(3) Uani 1 1 d . U . C103 C 0.1592(9) 0.0379(10) 0.2374(8) 0.067(4) Uani 1 1 d . U . H103 H 0.1442 -0.0020 0.2660 0.081 Uiso 1 1 calc R U . C104 C 0.2389(11) 0.0807(11) 0.2175(10) 0.080(4) Uani 1 1 d . U . H104 H 0.2771 0.0677 0.2314 0.096 Uiso 1 1 calc R U . C105 C 0.2611(11) 0.1412(12) 0.1780(10) 0.083(4) Uani 1 1 d . U . H105 H 0.3152 0.1714 0.1663 0.100 Uiso 1 1 calc R U . C106 C 0.2029(11) 0.1595(11) 0.1540(9) 0.083(4) Uani 1 1 d . U . H106 H 0.2180 0.2001 0.1258 0.099 Uiso 1 1 calc R U . C107 C 0.1256(9) 0.1168(8) 0.1728(7) 0.057(3) Uani 1 1 d . U . H107 H 0.0869 0.1284 0.1579 0.069 Uiso 1 1 calc R U . P2 P 0.3333 0.6667 0.6409(3) 0.078(2) Uani 1 3 d S TU P C201 C 0.3333 0.6667 0.5647(16) 0.105(9) Uani 1 3 d S TU P H20A H 0.3882 0.6977 0.5507 0.158 Uiso 0.3333 1 calc R U P H20B H 0.3094 0.6118 0.5507 0.158 Uiso 0.3333 1 calc R U P H20C H 0.3023 0.6906 0.5507 0.158 Uiso 0.3333 1 calc R U P C202 C 0.2291(12) 0.6078(12) 0.6658(9) 0.079(4) Uani 1 1 d . U . C203 C 0.2042(12) 0.5447(12) 0.7054(9) 0.082(4) Uani 1 1 d . U . H203 H 0.2420 0.5320 0.7205 0.098 Uiso 1 1 calc R U . C204 C 0.1251(14) 0.5008(15) 0.7225(11) 0.099(5) Uani 1 1 d . U . H204 H 0.1097 0.4610 0.7512 0.118 Uiso 1 1 calc R U . C205 C 0.0679(16) 0.5155(16) 0.6973(12) 0.106(5) Uani 1 1 d . U . H205 H 0.0137 0.4851 0.7086 0.127 Uiso 1 1 calc R U . C206 C 0.0889(15) 0.5703(15) 0.6588(11) 0.103(5) Uani 1 1 d . U . H206 H 0.0484 0.5778 0.6421 0.124 Uiso 1 1 calc R U . C207 C 0.1710(14) 0.6218(14) 0.6392(10) 0.096(5) Uani 1 1 d . U . H207 H 0.1845 0.6616 0.6106 0.115 Uiso 1 1 calc R U . 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 Pd1 0.0291(4) 0.0290(4) 0.0339(5) -0.0006(4) -0.0015(4) 0.0156(4) Pd2 0.0467(6) 0.0407(5) 0.0363(6) 0.0037(4) 0.0017(4) 0.0211(4) Pd3 0.0405(5) 0.0327(5) 0.0713(7) -0.0027(5) 0.0131(5) 0.0155(4) Co1 0.0410(9) 0.0473(10) 0.0555(11) 0.0080(8) 0.0028(8) 0.0292(8) Co2 0.0502(10) 0.0548(11) 0.0515(11) 0.0190(9) 0.0131(8) 0.0360(9) Co3 0.0417(9) 0.0401(9) 0.0487(10) -0.0040(8) -0.0078(8) 0.0229(7) Co4 0.0405(9) 0.0595(11) 0.0471(10) 0.0143(9) 0.0095(8) 0.0269(9) Co5 0.0372(9) 0.0418(10) 0.0646(12) -0.0113(8) -0.0008(8) 0.0214(8) C1 0.039(6) 0.029(6) 0.051(7) 0.003(5) -0.003(5) 0.017(5) C2 0.044(7) 0.061(9) 0.059(9) -0.001(7) -0.004(7) 0.030(7) C3 0.052(9) 0.052(9) 0.056(17) 0.000 0.000 0.026(4) C4 0.049(8) 0.049(8) 0.018(10) 0.000 0.000 0.025(4) C5 0.052(8) 0.067(9) 0.043(8) 0.004(7) 0.008(6) 0.030(7) C6 0.055(8) 0.058(8) 0.061(9) 0.005(7) 0.008(7) 0.029(7) C7 0.055(10) 0.079(13) 0.096(14) 0.008(11) -0.019(10) 0.027(9) C8 0.076(11) 0.067(10) 0.068(12) 0.016(8) 0.022(9) 0.043(9) C9 0.054(8) 0.056(8) 0.074(10) 0.020(8) 0.019(7) 0.036(8) C10 0.093(13) 0.113(15) 0.078(13) -0.010(11) -0.002(10) 0.081(13) C11 0.049(8) 0.046(8) 0.074(10) -0.014(7) -0.005(7) 0.022(7) C12 0.051(8) 0.056(8) 0.065(10) 0.007(7) 0.006(7) 0.028(7) C13 0.044(7) 0.048(7) 0.059(10) -0.017(7) -0.017(7) 0.025(6) C14 0.079(11) 0.079(11) 0.058(10) -0.007(8) 0.021(8) 0.044(9) C15 0.059(10) 0.063(10) 0.096(13) 0.006(9) -0.005(9) 0.043(9) O2 0.070(7) 0.083(8) 0.085(8) -0.021(6) -0.030(7) 0.049(6) O3 0.102(10) 0.102(10) 0.020(9) 0.000 0.000 0.051(5) O4 0.056(6) 0.056(6) 0.027(9) 0.000 0.000 0.028(3) O5 0.078(8) 0.089(8) 0.056(7) 0.028(6) 0.006(6) 0.041(7) O6 0.083(8) 0.096(9) 0.076(8) 0.038(7) 0.009(6) 0.068(7) O7 0.073(8) 0.062(8) 0.133(12) 0.032(8) -0.003(8) 0.019(6) O8 0.120(12) 0.110(11) 0.060(8) 0.018(7) 0.007(7) 0.072(9) O9 0.100(9) 0.122(10) 0.098(10) 0.013(8) 0.020(7) 0.087(9) O10 0.126(11) 0.091(9) 0.095(10) -0.021(7) -0.009(8) 0.084(9) O11 0.065(7) 0.079(8) 0.094(9) -0.043(7) -0.006(6) 0.021(6) O12 0.062(7) 0.104(9) 0.095(9) 0.031(7) 0.030(7) 0.048(7) O13 0.080(8) 0.124(10) 0.061(8) -0.037(7) -0.041(6) 0.059(8) O14 0.091(9) 0.109(10) 0.075(9) -0.029(8) 0.003(7) 0.026(8) O15 0.037(6) 0.053(6) 0.124(10) 0.019(6) 0.003(6) 0.011(5) P1 0.0355(16) 0.0355(16) 0.037(3) 0.000 0.000 0.0177(8) C101 0.078(10) 0.078(10) 0.052(14) 0.000 0.000 0.039(5) C102 0.043(5) 0.038(5) 0.064(7) -0.011(5) 0.000(5) 0.021(4) C103 0.054(6) 0.059(6) 0.093(8) -0.004(6) -0.008(6) 0.032(5) C104 0.059(7) 0.072(7) 0.115(9) -0.009(7) 0.001(7) 0.037(6) C105 0.063(7) 0.073(7) 0.103(9) -0.010(7) 0.025(7) 0.026(6) C106 0.069(7) 0.066(7) 0.087(8) -0.006(7) 0.027(7) 0.014(6) C107 0.051(6) 0.049(6) 0.066(7) -0.006(5) 0.014(5) 0.020(5) P2 0.097(4) 0.097(4) 0.040(4) 0.000 0.000 0.0486(18) C201 0.128(12) 0.128(12) 0.060(11) 0.000 0.000 0.064(6) C202 0.083(7) 0.089(7) 0.063(7) 0.000(6) -0.011(6) 0.043(6) C203 0.084(7) 0.090(8) 0.075(8) 0.001(7) -0.004(7) 0.046(6) C204 0.098(8) 0.097(8) 0.097(9) 0.004(7) -0.004(8) 0.046(7) C205 0.095(8) 0.109(9) 0.108(9) -0.007(8) -0.004(8) 0.046(7) C206 0.097(8) 0.108(9) 0.106(9) -0.003(8) -0.008(8) 0.052(7) C207 0.097(8) 0.100(8) 0.091(9) 0.001(7) -0.009(7) 0.050(7) 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' P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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 C1 Pd1 C4 154.1(6) . . C1 Pd1 Co4 45.2(4) . . C4 Pd1 Co4 112.2(4) . . C1 Pd1 Pd1 147.6(4) . 2_665 C4 Pd1 Pd1 49.4(3) . 2_665 Co4 Pd1 Pd1 123.54(6) . 2_665 C1 Pd1 Pd1 145.6(4) . 3_565 C4 Pd1 Pd1 49.4(3) . 3_565 Co4 Pd1 Pd1 156.00(5) . 3_565 Pd1 Pd1 Pd1 60.0 2_665 3_565 C1 Pd1 Pd3 85.9(3) . . C4 Pd1 Pd3 93.65(4) . . Co4 Pd1 Pd3 110.31(5) . . Pd1 Pd1 Pd3 122.21(4) 2_665 . Pd1 Pd1 Pd3 62.30(4) 3_565 . C1 Pd1 Pd3 90.8(3) . 2_665 C4 Pd1 Pd3 91.53(4) . 2_665 Co4 Pd1 Pd3 70.51(5) . 2_665 Pd1 Pd1 Pd3 59.55(4) 2_665 2_665 Pd1 Pd1 Pd3 119.47(4) 3_565 2_665 Pd3 Pd1 Pd3 173.90(6) . 2_665 C1 Pd1 Co3 41.5(4) . . C4 Pd1 Co3 147.46(5) . . Co4 Pd1 Co3 59.05(6) . . Pd1 Pd1 Co3 106.31(5) 2_665 . Pd1 Pd1 Co3 144.95(4) 3_565 . Pd3 Pd1 Co3 118.89(5) . . Pd3 Pd1 Co3 55.97(4) 2_665 . C1 Pd1 Pd2 91.9(4) . 2_665 C4 Pd1 Pd2 111.5(4) . 2_665 Co4 Pd1 Pd2 112.59(6) . 2_665 Pd1 Pd1 Pd2 62.99(3) 2_665 2_665 Pd1 Pd1 Pd2 90.41(2) 3_565 2_665 Pd3 Pd1 Pd2 115.26(4) . 2_665 Pd3 Pd1 Pd2 59.63(4) 2_665 2_665 Co3 Pd1 Pd2 56.28(4) . 2_665 C1 Pd1 Co5 41.0(4) . . C4 Pd1 Co5 119.4(3) . . Co4 Pd1 Co5 54.25(5) . . Pd1 Pd1 Co5 168.43(5) 2_665 . Pd1 Pd1 Co5 116.77(5) 3_565 . Pd3 Pd1 Co5 56.59(4) . . Pd3 Pd1 Co5 123.06(5) 2_665 . Co3 Pd1 Co5 82.47(5) . . Pd2 Pd1 Co5 128.54(5) 2_665 . C1 Pd1 Pd2 92.3(4) . . C4 Pd1 Pd2 109.9(4) . . Co4 Pd1 Pd2 137.37(5) . . Pd1 Pd1 Pd2 89.49(2) 2_665 . Pd1 Pd1 Pd2 61.36(3) 3_565 . Pd3 Pd1 Pd2 59.90(4) . . Pd3 Pd1 Pd2 115.18(4) 2_665 . Co3 Pd1 Pd2 88.17(5) . . Pd2 Pd1 Pd2 55.56(4) 2_665 . Co5 Pd1 Pd2 98.46(5) . . C1 Pd1 Co2 37.9(4) . . C4 Pd1 Co2 155.80(11) . . Co4 Pd1 Co2 82.87(5) . . Pd1 Pd1 Co2 137.96(4) 2_665 . Pd1 Pd1 Co2 110.04(5) 3_565 . Pd3 Pd1 Co2 62.71(5) . . Pd3 Pd1 Co2 111.80(5) 2_665 . Co3 Pd1 Co2 56.39(5) . . Pd2 Pd1 Co2 77.21(5) 2_665 . Co5 Pd1 Co2 53.24(6) . . Pd2 Pd1 Co2 55.19(4) . . C3 Pd2 C13 105.8(6) . 3_565 C3 Pd2 C8 83.9(5) . . C13 Pd2 C8 93.0(5) 3_565 . C3 Pd2 Pd2 51.2(4) . 2_665 C13 Pd2 Pd2 156.9(4) 3_565 2_665 C8 Pd2 Pd2 82.9(4) . 2_665 C3 Pd2 Pd2 51.2(4) . 3_565 C13 Pd2 Pd2 109.8(4) 3_565 3_565 C8 Pd2 Pd2 133.1(4) . 3_565 Pd2 Pd2 Pd2 60.0 2_665 3_565 C3 Pd2 Co3 128.72(13) . 3_565 C13 Pd2 Co3 42.4(4) 3_565 3_565 C8 Pd2 Co3 126.0(4) . 3_565 Pd2 Pd2 Co3 150.64(5) 2_665 3_565 Pd2 Pd2 Co3 96.24(6) 3_565 3_565 C3 Pd2 Co2 114.05(12) . . C13 Pd2 Co2 106.3(4) 3_565 . C8 Pd2 Co2 38.8(4) . . Pd2 Pd2 Co2 84.65(6) 2_665 . Pd2 Pd2 Co2 143.56(6) 3_565 . Co3 Pd2 Co2 113.73(7) 3_565 . C3 Pd2 Pd3 168.6(5) . . C13 Pd2 Pd3 84.9(4) 3_565 . C8 Pd2 Pd3 99.4(4) . . Pd2 Pd2 Pd3 118.20(4) 2_665 . Pd2 Pd2 Pd3 122.24(3) 3_565 . Co3 Pd2 Pd3 57.57(5) 3_565 . Co2 Pd2 Pd3 64.99(5) . . C3 Pd2 Pd1 113.5(5) . 3_565 C13 Pd2 Pd1 103.3(4) 3_565 3_565 C8 Pd2 Pd1 151.0(4) . 3_565 Pd2 Pd2 Pd1 90.50(2) 2_665 3_565 Pd2 Pd2 Pd1 63.04(3) 3_565 3_565 Co3 Pd2 Pd1 61.80(5) 3_565 3_565 Co2 Pd2 Pd1 112.62(6) . 3_565 Pd3 Pd2 Pd1 59.21(3) . 3_565 C3 Pd2 Pd1 111.9(5) . . C13 Pd2 Pd1 141.7(4) 3_565 . C8 Pd2 Pd1 97.0(4) . . Pd2 Pd2 Pd1 61.40(3) 2_665 . Pd2 Pd2 Pd1 89.57(2) 3_565 . Co3 Pd2 Pd1 104.88(5) 3_565 . Co2 Pd2 Pd1 63.81(5) . . Pd3 Pd2 Pd1 57.01(3) . . Pd1 Pd2 Pd1 55.66(3) 3_565 . C11 Pd3 C15 107.1(6) . 3_565 C11 Pd3 Co3 149.8(4) . 3_565 C15 Pd3 Co3 43.9(5) 3_565 3_565 C11 Pd3 Co5 42.8(4) . . C15 Pd3 Co5 138.2(5) 3_565 . Co3 Pd3 Co5 162.24(8) 3_565 . C11 Pd3 Pd1 98.0(4) . . C15 Pd3 Pd1 154.8(5) 3_565 . Co3 Pd3 Pd1 110.99(5) 3_565 . Co5 Pd3 Pd1 64.37(5) . . C11 Pd3 Pd1 132.4(5) . 3_565 C15 Pd3 Pd1 101.6(5) 3_565 3_565 Co3 Pd3 Pd1 63.00(4) 3_565 3_565 Co5 Pd3 Pd1 120.24(6) . 3_565 Pd1 Pd3 Pd1 58.15(4) . 3_565 C11 Pd3 Pd2 148.3(4) . . C15 Pd3 Pd2 94.9(5) 3_565 . Co3 Pd3 Pd2 58.92(5) 3_565 . Co5 Pd3 Pd2 105.98(6) . . Pd1 Pd3 Pd2 63.08(3) . . Pd1 Pd3 Pd2 61.16(3) 3_565 . C11 Pd3 Co2 93.2(4) . . C15 Pd3 Co2 116.6(5) 3_565 . Co3 Pd3 Co2 107.19(7) 3_565 . Co5 Pd3 Co2 55.11(6) . . Pd1 Pd3 Co2 62.72(4) . . Pd1 Pd3 Co2 106.93(5) 3_565 . Pd2 Pd3 Co2 56.02(5) . . C9 Co1 C6 102.0(7) . . C9 Co1 C1 152.1(7) . . C6 Co1 C1 101.1(6) . . C9 Co1 C2 96.8(7) . . C6 Co1 C2 92.2(7) . . C1 Co1 C2 97.8(6) . . C9 Co1 Co3 139.4(5) . . C6 Co1 Co3 99.9(5) . . C1 Co1 Co3 49.3(4) . . C2 Co1 Co3 48.5(4) . . C9 Co1 Co2 150.6(5) . . C6 Co1 Co2 53.0(5) . . C1 Co1 Co2 48.1(4) . . C2 Co1 Co2 99.2(4) . . Co3 Co1 Co2 67.36(7) . . C9 Co1 Co5 114.3(6) . . C6 Co1 Co5 97.7(5) . . C1 Co1 Co5 46.6(4) . . C2 Co1 Co5 144.3(4) . . Co3 Co1 Co5 95.89(8) . . Co2 Co1 Co5 61.85(7) . . C9 Co1 Co4 108.6(5) . . C6 Co1 Co4 146.7(5) . . C1 Co1 Co4 46.0(4) . . C2 Co1 Co4 96.8(4) . . Co3 Co1 Co4 64.44(7) . . Co2 Co1 Co4 93.80(8) . . Co5 Co1 Co4 57.86(7) . . C8 Co2 C7 95.7(9) . . C8 Co2 C1 137.3(7) . . C7 Co2 C1 126.2(8) . . C8 Co2 C6 91.3(7) . . C7 Co2 C6 90.6(7) . . C1 Co2 C6 95.7(6) . . C8 Co2 Co1 124.3(6) . . C7 Co2 Co1 114.9(7) . . C1 Co2 Co1 49.5(4) . . C6 Co2 Co1 46.2(4) . . C8 Co2 Co5 174.5(6) . . C7 Co2 Co5 80.1(7) . . C1 Co2 Co5 46.3(4) . . C6 Co2 Co5 92.4(5) . . Co1 Co2 Co5 61.11(7) . . C8 Co2 Pd2 66.7(6) . . C7 Co2 Pd2 92.8(6) . . C1 Co2 Pd2 99.8(4) . . C6 Co2 Pd2 157.9(5) . . Co1 Co2 Pd2 146.76(9) . . Co5 Co2 Pd2 109.69(8) . . C8 Co2 Co3 95.3(6) . . C7 Co2 Co3 168.7(7) . . C1 Co2 Co3 43.5(4) . . C6 Co2 Co3 86.6(5) . . Co1 Co2 Co3 56.03(6) . . Co5 Co2 Co3 89.06(8) . . Pd2 Co2 Co3 93.88(7) . . C8 Co2 Pd3 118.6(6) . . C7 Co2 Pd3 62.4(6) . . C1 Co2 Pd3 80.2(4) . . C6 Co2 Pd3 140.0(5) . . Co1 Co2 Pd3 116.76(8) . . Co5 Co2 Pd3 56.23(6) . . Pd2 Co2 Pd3 58.99(5) . . Co3 Co2 Pd3 113.94(7) . . C8 Co2 Pd1 118.3(5) . . C7 Co2 Pd1 116.6(6) . . C1 Co2 Pd1 39.6(4) . . C6 Co2 Pd1 135.2(5) . . Co1 Co2 Pd1 89.09(7) . . Co5 Co2 Pd1 61.29(6) . . Pd2 Co2 Pd1 61.00(4) . . Co3 Co2 Pd1 59.57(5) . . Pd3 Co2 Pd1 54.57(4) . . C13 Co3 C15 100.2(7) . . C13 Co3 C2 95.0(6) . . C15 Co3 C2 87.0(7) . . C13 Co3 C1 136.8(6) . . C15 Co3 C1 120.2(7) . . C2 Co3 C1 101.2(6) . . C13 Co3 Co1 130.3(5) . . C15 Co3 Co1 111.4(5) . . C2 Co3 Co1 51.5(5) . . C1 Co3 Co1 49.7(4) . . C13 Co3 Pd3 97.3(4) . 2_665 C15 Co3 Pd3 51.8(4) . 2_665 C2 Co3 Pd3 138.5(5) . 2_665 C1 Co3 Pd3 96.4(4) . 2_665 Co1 Co3 Pd3 132.35(9) . 2_665 C13 Co3 Pd2 53.8(4) . 2_665 C15 Co3 Pd2 105.4(5) . 2_665 C2 Co3 Pd2 147.5(5) . 2_665 C1 Co3 Pd2 98.0(4) . 2_665 Co1 Co3 Pd2 139.98(8) . 2_665 Pd3 Co3 Pd2 63.50(5) 2_665 2_665 C13 Co3 Co4 168.5(4) . . C15 Co3 Co4 76.5(6) . . C2 Co3 Co4 95.8(5) . . C1 Co3 Co4 44.0(4) . . Co1 Co3 Co4 60.48(7) . . Pd3 Co3 Co4 71.90(7) 2_665 . Pd2 Co3 Co4 116.06(7) 2_665 . C13 Co3 Co2 97.3(5) . . C15 Co3 Co2 162.5(6) . . C2 Co3 Co2 92.9(5) . . C1 Co3 Co2 42.6(4) . . Co1 Co3 Co2 56.61(6) . . Pd3 Co3 Co2 124.36(7) 2_665 . Pd2 Co3 Co2 83.83(6) 2_665 . Co4 Co3 Co2 86.08(7) . . C13 Co3 Pd1 114.6(4) . . C15 Co3 Pd1 106.7(5) . . C2 Co3 Pd1 143.6(5) . . C1 Co3 Pd1 42.7(3) . . Co1 Co3 Pd1 92.27(7) . . Pd3 Co3 Pd1 61.03(5) 2_665 . Pd2 Co3 Pd1 61.93(4) 2_665 . Co4 Co3 Pd1 57.06(5) . . Co2 Co3 Pd1 64.05(5) . . C12 Co4 C5 100.1(7) . . C12 Co4 C1 126.4(6) . . C5 Co4 C1 132.5(6) . . C12 Co4 C14 96.9(7) . . C5 Co4 C14 88.6(8) . . C1 Co4 C14 94.5(6) . . C12 Co4 Co5 115.5(5) . . C5 Co4 Co5 123.5(5) . . C1 Co4 Co5 48.1(4) . . C14 Co4 Co5 47.0(5) . . C12 Co4 Co1 80.0(5) . . C5 Co4 Co1 174.7(5) . . C1 Co4 Co1 46.6(4) . . C14 Co4 Co1 96.7(6) . . Co5 Co4 Co1 60.55(7) . . C12 Co4 Pd1 169.5(5) . . C5 Co4 Pd1 85.8(5) . . C1 Co4 Pd1 46.8(4) . . C14 Co4 Pd1 91.9(5) . . Co5 Co4 Pd1 66.95(6) . . Co1 Co4 Pd1 93.34(7) . . C12 Co4 Co3 105.6(5) . . C5 Co4 Co3 120.1(5) . . C1 Co4 Co3 44.2(4) . . C14 Co4 Co3 138.6(5) . . Co5 Co4 Co3 91.66(8) . . Co1 Co4 Co3 55.08(6) . . Pd1 Co4 Co3 63.90(6) . . C10 Co5 C11 93.7(8) . . C10 Co5 C14 97.7(8) . . C11 Co5 C14 94.3(8) . . C10 Co5 C1 121.8(8) . . C11 Co5 C1 139.7(6) . . C14 Co5 C1 98.8(7) . . C10 Co5 Co4 114.4(7) . . C11 Co5 Co4 136.5(5) . . C14 Co5 Co4 51.4(6) . . C1 Co5 Co4 48.0(4) . . C10 Co5 Co1 74.9(7) . . C11 Co5 Co1 161.9(5) . . C14 Co5 Co1 101.1(6) . . C1 Co5 Co1 47.2(4) . . Co4 Co5 Co1 61.59(7) . . C10 Co5 Co2 102.1(6) . . C11 Co5 Co2 113.6(5) . . C14 Co5 Co2 144.3(6) . . C1 Co5 Co2 45.5(4) . . Co4 Co5 Co2 93.14(8) . . Co1 Co5 Co2 57.04(7) . . C10 Co5 Pd3 127.8(7) . . C11 Co5 Pd3 51.9(5) . . C14 Co5 Pd3 119.7(6) . . C1 Co5 Pd3 89.0(4) . . Co4 Co5 Pd3 117.23(8) . . Co1 Co5 Pd3 125.02(9) . . Co2 Co5 Pd3 68.66(7) . . C10 Co5 Pd1 163.9(7) . . C11 Co5 Pd1 100.6(5) . . C14 Co5 Pd1 88.6(5) . . C1 Co5 Pd1 42.3(4) . . Co4 Co5 Pd1 58.80(6) . . Co1 Co5 Pd1 89.37(7) . . Co2 Co5 Pd1 65.48(6) . . Pd3 Co5 Pd1 59.04(4) . . Co2 C1 Co4 167.4(7) . . Co2 C1 Co5 88.1(5) . . Co4 C1 Co5 83.8(6) . . Co2 C1 Co3 93.8(6) . . Co4 C1 Co3 91.8(5) . . Co5 C1 Co3 166.6(7) . . Co2 C1 Co1 82.4(5) . . Co4 C1 Co1 87.4(5) . . Co5 C1 Co1 86.2(5) . . Co3 C1 Co1 81.0(5) . . Co2 C1 Pd1 102.5(6) . . Co4 C1 Pd1 88.1(5) . . Co5 C1 Pd1 96.7(6) . . Co3 C1 Pd1 95.8(5) . . Co1 C1 Pd1 174.3(7) . . O2 C2 Co3 141.6(13) . . O2 C2 Co1 138.4(12) . . Co3 C2 Co1 80.0(5) . . O3 C3 Pd2 133.6(5) . . O3 C3 Pd2 133.6(5) . 2_665 Pd2 C3 Pd2 77.7(8) . 2_665 O3 C3 Pd2 133.6(5) . 3_565 Pd2 C3 Pd2 77.7(8) . 3_565 Pd2 C3 Pd2 77.7(8) 2_665 3_565 O4 C4 Pd1 131.3(4) . 3_565 O4 C4 Pd1 131.3(4) . 2_665 Pd1 C4 Pd1 81.2(6) 3_565 2_665 O4 C4 Pd1 131.3(4) . . Pd1 C4 Pd1 81.2(6) 3_565 . Pd1 C4 Pd1 81.2(6) 2_665 . O5 C5 Co4 170.9(15) . . O6 C6 Co1 147.9(13) . . O6 C6 Co2 131.4(12) . . Co1 C6 Co2 80.7(6) . . O7 C7 Co2 166.7(16) . . O8 C8 Co2 167.8(16) . . O8 C8 Pd2 117.6(13) . . Co2 C8 Pd2 74.5(7) . . O9 C9 Co1 178.5(15) . . O10 C10 Co5 171.0(19) . . O11 C11 Co5 151.5(13) . . O11 C11 Pd3 123.2(12) . . Co5 C11 Pd3 85.3(6) . . O12 C12 Co4 175.2(15) . . O13 C13 Co3 157.9(12) . . O13 C13 Pd2 118.0(11) . 2_665 Co3 C13 Pd2 83.9(5) . 2_665 O14 C14 Co5 142.2(16) . . O14 C14 Co4 136.0(15) . . Co5 C14 Co4 81.6(7) . . O15 C15 Co3 153.1(13) . . O15 C15 Pd3 122.3(12) . 2_665 Co3 C15 Pd3 84.3(6) . 2_665 C101 P1 C102 109.8(5) . 3 C101 P1 C102 109.8(5) . 2 C102 P1 C102 109.2(5) 3 2 C101 P1 C102 109.8(5) . . C102 P1 C102 109.2(5) 3 . C102 P1 C102 109.2(5) 2 . P1 C101 H10A 109.5 . . P1 C101 H10B 109.5 . . H10A C101 H10B 109.5 . . P1 C101 H10C 109.5 . . H10A C101 H10C 109.5 . . H10B C101 H10C 109.5 . . C103 C102 C107 120.5(14) . . C103 C102 P1 118.5(12) . . C107 C102 P1 120.9(11) . . C102 C103 C104 119.1(17) . . C102 C103 H103 120.4 . . C104 C103 H103 120.4 . . C105 C104 C103 120.0(18) . . C105 C104 H104 120.0 . . C103 C104 H104 120.0 . . C104 C105 C106 121.0(17) . . C104 C105 H105 119.5 . . C106 C105 H105 119.5 . . C107 C106 C105 118(2) . . C107 C106 H106 120.8 . . C105 C106 H106 120.8 . . C106 C107 C102 120.8(17) . . C106 C107 H107 119.6 . . C102 C107 H107 119.6 . . C201 P2 C202 108.2(7) . . C201 P2 C202 108.2(7) . 3_565 C202 P2 C202 110.7(6) . 3_565 C201 P2 C202 108.2(7) . 2_665 C202 P2 C202 110.7(6) . 2_665 C202 P2 C202 110.7(6) 3_565 2_665 P2 C201 H20A 109.5 . . P2 C201 H20B 109.5 . . H20A C201 H20B 109.5 . . P2 C201 H20C 109.5 . . H20A C201 H20C 109.5 . . H20B C201 H20C 109.5 . . C203 C202 C207 119.3(19) . . C203 C202 P2 122.3(15) . . C207 C202 P2 118.1(16) . . C204 C203 C202 121(2) . . C204 C203 H203 119.6 . . C202 C203 H203 119.6 . . C203 C204 C205 120(2) . . C203 C204 H204 120.0 . . C205 C204 H204 120.0 . . C206 C205 C204 120(3) . . C206 C205 H205 120.0 . . C204 C205 H205 120.0 . . C205 C206 C207 124(3) . . C205 C206 H206 117.8 . . C207 C206 H206 117.8 . . C202 C207 C206 115(2) . . C202 C207 H207 122.4 . . C206 C207 H207 122.4 . . loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Pd1 C1 1.961(12) . Pd1 C4 2.084(13) . Pd1 Co4 2.6906(19) . Pd1 Pd1 2.7122(13) 2_665 Pd1 Pd1 2.7122(13) 3_565 Pd1 Pd3 2.7528(12) . Pd1 Pd3 2.8271(13) 2_665 Pd1 Co3 2.8792(19) . Pd1 Pd2 2.8826(12) 2_665 Pd1 Co5 2.8944(19) . Pd1 Pd2 2.9263(12) . Pd1 Co2 3.0025(19) . Pd2 C3 2.16(2) . Pd2 C13 2.204(13) 3_565 Pd2 C8 2.618(18) . Pd2 Pd2 2.7076(16) 2_665 Pd2 Pd2 2.7077(16) 3_565 Pd2 Co3 2.717(2) 3_565 Pd2 Co2 2.747(2) . Pd2 Pd3 2.8394(15) . Pd2 Pd1 2.8828(12) 3_565 Pd3 C11 2.115(15) . Pd3 C15 2.116(15) 3_565 Pd3 Co3 2.678(2) 3_565 Pd3 Co5 2.680(2) . Pd3 Pd1 2.8272(13) 3_565 Pd3 Co2 3.002(2) . Co1 C9 1.771(15) . Co1 C6 1.841(16) . Co1 C1 1.930(12) . Co1 C2 1.985(15) . Co1 Co3 2.499(2) . Co1 Co2 2.516(2) . Co1 Co5 2.625(3) . Co1 Co4 2.652(2) . Co2 C8 1.786(19) . Co2 C7 1.80(2) . Co2 C1 1.888(13) . Co2 C6 2.037(16) . Co2 Co5 2.644(3) . Co2 Co3 2.781(2) . Co3 C13 1.841(15) . Co3 C15 1.867(18) . Co3 C2 1.900(14) . Co3 C1 1.919(13) . Co3 Pd3 2.678(2) 2_665 Co3 Pd2 2.717(2) 2_665 Co3 Co4 2.750(3) . Co4 C12 1.780(15) . Co4 C5 1.783(16) . Co4 C1 1.909(13) . Co4 C14 2.018(19) . Co4 Co5 2.553(2) . Co5 C10 1.794(18) . Co5 C11 1.828(15) . Co5 C14 1.887(18) . Co5 C1 1.913(13) . C2 O2 1.169(17) . C3 O3 1.12(3) . C3 Pd2 2.16(2) 2_665 C3 Pd2 2.16(2) 3_565 C4 O4 1.13(2) . C4 Pd1 2.084(13) 3_565 C4 Pd1 2.084(13) 2_665 C5 O5 1.138(18) . C6 O6 1.158(18) . C7 O7 1.13(2) . C8 O8 1.16(2) . C9 O9 1.129(18) . C10 O10 1.12(2) . C11 O11 1.154(18) . C12 O12 1.147(18) . C13 O13 1.144(17) . C13 Pd2 2.204(13) 2_665 C14 O14 1.18(2) . C15 O15 1.161(19) . C15 Pd3 2.116(15) 2_665 P1 C101 1.79(3) . P1 C102 1.796(13) 3 P1 C102 1.796(13) 2 P1 C102 1.796(13) . C101 H10A 0.9600 . C101 H10B 0.9600 . C101 H10C 0.9600 . C102 C103 1.38(2) . C102 C107 1.39(2) . C103 C104 1.39(2) . C103 H103 0.9300 . C104 C105 1.35(3) . C104 H104 0.9300 . C105 C106 1.42(3) . C105 H105 0.9300 . C106 C107 1.34(2) . C106 H106 0.9300 . C107 H107 0.9300 . P2 C201 1.73(4) . P2 C202 1.81(2) . P2 C202 1.81(2) 3_565 P2 C202 1.81(2) 2_665 C201 H20A 0.9600 . C201 H20B 0.9600 . C201 H20C 0.9600 . C202 C203 1.38(3) . C202 C207 1.40(3) . C203 C204 1.36(3) . C203 H203 0.9300 . C204 C205 1.37(3) . C204 H204 0.9300 . C205 C206 1.26(3) . C205 H205 0.9300 . C206 C207 1.44(3) . C206 H206 0.9300 . C207 H207 0.9300 . loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_4 C8 Co2 C1 Co4 -136(3) . . C7 Co2 C1 Co4 57(4) . . C6 Co2 C1 Co4 -38(4) . . Co1 Co2 C1 Co4 -36(3) . . Co5 Co2 C1 Co4 50(3) . . Pd2 Co2 C1 Co4 158(3) . . Co3 Co2 C1 Co4 -117(4) . . Pd3 Co2 C1 Co4 102(4) . . Pd1 Co2 C1 Co4 147(4) . . C8 Co2 C1 Co5 174.0(9) . . C7 Co2 C1 Co5 7.1(10) . . C6 Co2 C1 Co5 -87.8(6) . . Co1 Co2 C1 Co5 -86.4(5) . . Pd2 Co2 C1 Co5 107.9(3) . . Co3 Co2 C1 Co5 -166.8(7) . . Pd3 Co2 C1 Co5 52.0(3) . . Pd1 Co2 C1 Co5 96.4(6) . . C8 Co2 C1 Co3 -19.2(11) . . C7 Co2 C1 Co3 173.9(7) . . C6 Co2 C1 Co3 78.9(6) . . Co1 Co2 C1 Co3 80.4(5) . . Co5 Co2 C1 Co3 166.8(7) . . Pd2 Co2 C1 Co3 -85.3(4) . . Pd3 Co2 C1 Co3 -141.2(4) . . Pd1 Co2 C1 Co3 -96.8(6) . . C8 Co2 C1 Co1 -99.6(9) . . C7 Co2 C1 Co1 93.5(9) . . C6 Co2 C1 Co1 -1.4(6) . . Co5 Co2 C1 Co1 86.4(5) . . Pd2 Co2 C1 Co1 -165.7(3) . . Co3 Co2 C1 Co1 -80.4(5) . . Pd3 Co2 C1 Co1 138.4(4) . . Pd1 Co2 C1 Co1 -177.2(8) . . C8 Co2 C1 Pd1 77.6(11) . . C7 Co2 C1 Pd1 -89.3(9) . . C6 Co2 C1 Pd1 175.8(6) . . Co1 Co2 C1 Pd1 177.2(8) . . Co5 Co2 C1 Pd1 -96.4(6) . . Pd2 Co2 C1 Pd1 11.5(5) . . Co3 Co2 C1 Pd1 96.8(6) . . Pd3 Co2 C1 Pd1 -44.4(4) . . C13 Co3 C2 O2 40(2) . . C15 Co3 C2 O2 -60(2) . . C1 Co3 C2 O2 179(2) . . Co1 Co3 C2 O2 179(2) . . Pd3 Co3 C2 O2 -67(2) 2_665 . Pd2 Co3 C2 O2 54(3) 2_665 . Co4 Co3 C2 O2 -136(2) . . Co2 Co3 C2 O2 137(2) . . Pd1 Co3 C2 O2 -174.9(16) . . C13 Co3 C2 Co1 -139.5(6) . . C15 Co3 C2 Co1 120.5(7) . . C1 Co3 C2 Co1 0.3(6) . . Pd3 Co3 C2 Co1 113.6(5) 2_665 . Pd2 Co3 C2 Co1 -124.9(6) 2_665 . Co4 Co3 C2 Co1 44.4(4) . . Co2 Co3 C2 Co1 -41.9(4) . . Pd1 Co3 C2 Co1 6.0(10) . . C9 Co1 C6 O6 -16(3) . . C1 Co1 C6 O6 -180(3) . . C2 Co1 C6 O6 82(3) . . Co3 Co1 C6 O6 130(3) . . Co2 Co1 C6 O6 -178(3) . . Co5 Co1 C6 O6 -133(3) . . Co4 Co1 C6 O6 -172(2) . . C9 Co1 C6 Co2 162.7(7) . . C1 Co1 C6 Co2 -1.5(6) . . C2 Co1 C6 Co2 -99.9(6) . . Co3 Co1 C6 Co2 -51.7(5) . . Co5 Co1 C6 Co2 45.7(4) . . Co4 Co1 C6 Co2 6.2(12) . . C8 Co2 C7 O7 65(9) . . C1 Co2 C7 O7 -124(9) . . C6 Co2 C7 O7 -27(9) . . Co1 Co2 C7 O7 -68(9) . . Co5 Co2 C7 O7 -119(9) . . Pd2 Co2 C7 O7 131(9) . . Co3 Co2 C7 O7 -102(9) . . Pd3 Co2 C7 O7 -176(9) . . Pd1 Co2 C7 O7 -170(9) . . C7 Co2 C8 O8 -94(8) . . C1 Co2 C8 O8 97(8) . . C6 Co2 C8 O8 -3(8) . . Co1 Co2 C8 O8 31(8) . . Pd2 Co2 C8 O8 175(8) . . Co3 Co2 C8 O8 83(8) . . Pd3 Co2 C8 O8 -156(8) . . Pd1 Co2 C8 O8 142(8) . . C7 Co2 C8 Pd2 90.6(6) . . C1 Co2 C8 Pd2 -78.8(9) . . C6 Co2 C8 Pd2 -178.7(5) . . Co1 Co2 C8 Pd2 -143.9(3) . . Co3 Co2 C8 Pd2 -91.9(3) . . Pd3 Co2 C8 Pd2 29.0(5) . . Pd1 Co2 C8 Pd2 -33.8(6) . . C10 Co5 C11 O11 41(3) . . C14 Co5 C11 O11 -57(3) . . C1 Co5 C11 O11 -166(3) . . Co4 Co5 C11 O11 -91(3) . . Co1 Co5 C11 O11 91(4) . . Co2 Co5 C11 O11 146(3) . . Pd3 Co5 C11 O11 178(4) . . Pd1 Co5 C11 O11 -146(3) . . C10 Co5 C11 Pd3 -136.9(7) . . C14 Co5 C11 Pd3 125.0(6) . . C1 Co5 C11 Pd3 16.1(12) . . Co4 Co5 C11 Pd3 91.1(7) . . Co1 Co5 C11 Pd3 -87.0(15) . . Co2 Co5 C11 Pd3 -32.1(6) . . Pd1 Co5 C11 Pd3 35.7(5) . . C15 Co3 C13 O13 85(4) . . C2 Co3 C13 O13 -3(4) . . C1 Co3 C13 O13 -115(4) . . Co1 Co3 C13 O13 -44(4) . . Pd3 Co3 C13 O13 138(4) 2_665 . Pd2 Co3 C13 O13 -173(4) 2_665 . Co4 Co3 C13 O13 157(2) . . Co2 Co3 C13 O13 -96(4) . . Pd1 Co3 C13 O13 -161(4) . . C15 Co3 C13 Pd2 -101.7(6) . 2_665 C2 Co3 C13 Pd2 170.4(5) . 2_665 C1 Co3 C13 Pd2 58.2(9) . 2_665 Co1 Co3 C13 Pd2 128.6(3) . 2_665 Pd3 Co3 C13 Pd2 -49.3(4) 2_665 2_665 Co4 Co3 C13 Pd2 -30(3) . 2_665 Co2 Co3 C13 Pd2 76.8(4) . 2_665 Pd1 Co3 C13 Pd2 12.1(5) . 2_665 C10 Co5 C14 O14 -70(3) . . C11 Co5 C14 O14 25(3) . . C1 Co5 C14 O14 166(3) . . Co4 Co5 C14 O14 175(3) . . Co1 Co5 C14 O14 -146(3) . . Co2 Co5 C14 O14 167(2) . . Pd3 Co5 C14 O14 73(3) . . Pd1 Co5 C14 O14 125(3) . . C10 Co5 C14 Co4 115.2(8) . . C11 Co5 C14 Co4 -150.5(6) . . C1 Co5 C14 Co4 -8.8(7) . . Co1 Co5 C14 Co4 39.1(5) . . Co2 Co5 C14 Co4 -8.2(13) . . Pd3 Co5 C14 Co4 -102.6(5) . . Pd1 Co5 C14 Co4 -50.0(4) . . C13 Co3 C15 O15 -80(4) . . C2 Co3 C15 O15 15(4) . . C1 Co3 C15 O15 116(3) . . Co1 Co3 C15 O15 61(4) . . Pd3 Co3 C15 O15 -171(4) 2_665 . Pd2 Co3 C15 O15 -135(3) 2_665 . Co4 Co3 C15 O15 112(4) . . Co2 Co3 C15 O15 105(4) . . Pd1 Co3 C15 O15 161(3) . . C13 Co3 C15 Pd3 91.3(6) . 2_665 C2 Co3 C15 Pd3 -174.1(7) . 2_665 C1 Co3 C15 Pd3 -72.9(7) . 2_665 Co1 Co3 C15 Pd3 -127.8(3) . 2_665 Pd2 Co3 C15 Pd3 36.3(6) 2_665 2_665 Co4 Co3 C15 Pd3 -77.4(5) . 2_665 Co2 Co3 C15 Pd3 -83.9(15) . 2_665 Pd1 Co3 C15 Pd3 -28.4(6) . 2_665 C101 P1 C102 C103 48.8(13) . . C102 P1 C102 C103 -71.6(17) 3 . C102 P1 C102 C103 169.2(11) 2 . C101 P1 C102 C107 -128.8(11) . . C102 P1 C102 C107 110.9(8) 3 . C102 P1 C102 C107 -8.4(16) 2 . C107 C102 C103 C104 -2(2) . . P1 C102 C103 C104 -179.5(13) . . C102 C103 C104 C105 3(3) . . C103 C104 C105 C106 -3(3) . . C104 C105 C106 C107 2(3) . . C105 C106 C107 C102 -1(3) . . C103 C102 C107 C106 1(2) . . P1 C102 C107 C106 178.4(13) . . C201 P2 C202 C203 127.2(16) . . C202 P2 C202 C203 -114.3(12) 3_565 . C202 P2 C202 C203 9(2) 2_665 . C201 P2 C202 C207 -46.0(18) . . C202 P2 C202 C207 72(2) 3_565 . C202 P2 C202 C207 -164.4(15) 2_665 . C207 C202 C203 C204 -6(3) . . P2 C202 C203 C204 -179.0(18) . . C202 C203 C204 C205 4(4) . . C203 C204 C205 C206 -1(4) . . C204 C205 C206 C207 -1(4) . . C203 C202 C207 C206 4(3) . . P2 C202 C207 C206 177.0(17) . . C205 C206 C207 C202 0(4) . .