#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/27/7012798.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_7012798
loop_
_publ_author_name
'Kamimura, Sou'
'Kuwata, Shigeki'
'Iwasaki, Masakazu'
'Ishii, Youichi'
_publ_section_title
;
 Syntheses, structures and solution behaviour of cyclotriphosphato
 complexes of Pd(ii), Pt(ii) and Pt(iv)
;
_journal_issue                   13
_journal_name_full               'Dalton Transactions'
_journal_page_first              2666
_journal_paper_doi               10.1039/b301223a
_journal_year                    2003
_chemical_formula_moiety         (PPN)[Pt(P3O9)(PMePh2)2]
_chemical_formula_sum            'C64 H59 N2 O9 P7 Pt'
_chemical_formula_weight         1412.08
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu Apr  3 14:10:45 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                106.24(1)
_cell_angle_beta                 97.076(9)
_cell_angle_gamma                110.016(9)
_cell_formula_units_Z            2
_cell_length_a                   12.687(1)
_cell_length_b                   14.866(2)
_cell_length_c                   18.923(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.6
_cell_volume                     3123.4(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    'DIRDIF94 (PATTY)'
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.017
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            14891
_diffrn_standards_decay_%        3.16
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.474
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.853
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.02
_refine_diff_density_min         -0.76
_refine_ls_extinction_coef       0.0025(2)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     749
_refine_ls_number_reflns         10966
_refine_ls_R_factor_gt           0.0312
_refine_ls_shift/su_max          0.0410
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00020|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0320
_reflns_number_gt                10966
_reflns_number_total             14339
_cod_data_source_file            b301223a.txt
_cod_data_source_block           (PPN)[Pt(P3O9)(PMePh2)2](4)
_cod_original_cell_volume        3123.3(9)
_cod_original_formula_sum        'C64 H59 N2 O9 P7 Pt '
_cod_database_code               7012798
#BEGIN Tags that were not found in dictionaries:
_reflns_threshold_criterion      F^2^>2.0\s(F^2^)
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt(1) Pt 0.14766(1) 0.22915(1) 0.451513(8) 0.03014(4) Uani 1.00 d . . .
P(1) P -0.06045(8) 0.17632(7) 0.30935(6) 0.0337(2) Uani 1.00 d . . .
P(2) P 0.05567(8) 0.04241(7) 0.28756(5) 0.0337(2) Uani 1.00 d . . .
P(3) P 0.14540(9) 0.22434(9) 0.24961(7) 0.0454(3) Uani 1.00 d . . .
P(4) P 0.31247(8) 0.22356(7) 0.50026(5) 0.0322(2) Uani 1.00 d . . .
P(5) P 0.14498(8) 0.35598(8) 0.54613(6) 0.0377(3) Uani 1.00 d . . .
P(6) P 0.71929(8) 0.28959(7) 0.10170(5) 0.0336(3) Uani 1.00 d . . .
P(7) P 0.67627(8) 0.32351(8) -0.04257(5) 0.0354(3) Uani 1.00 d . . .
O(1) O -0.0030(2) 0.2284(2) 0.3930(1) 0.0416(7) Uani 1.00 d . . .
O(2) O 0.1265(2) 0.0925(2) 0.3684(1) 0.0374(7) Uani 1.00 d . . .
O(3) O 0.2332(2) 0.2874(2) 0.3214(2) 0.0587(9) Uani 1.00 d . . .
O(4) O -0.1770(2) 0.1708(2) 0.2862(2) 0.0451(8) Uani 1.00 d . . .
O(5) O -0.0603(2) 0.0639(2) 0.2854(1) 0.0348(7) Uani 1.00 d . . .
O(6) O 0.0264(2) -0.0664(2) 0.2523(2) 0.0502(8) Uani 1.00 d . . .
O(7) O 0.1173(2) 0.1040(2) 0.2373(1) 0.0418(8) Uani 1.00 d . . .
O(8) O 0.1582(3) 0.2394(3) 0.1775(2) 0.070(1) Uani 1.00 d . . .
O(9) O 0.0205(2) 0.2264(2) 0.2615(2) 0.0443(8) Uani 1.00 d . . .
N(1) N 0.6700(3) 0.3301(2) 0.0413(2) 0.0394(9) Uani 1.00 d . . .
N(2) N 0.6742(8) 0.2142(8) 0.6521(7) 0.238(6) Uani 1.00 d . . .
C(1) C 0.2914(3) 0.1120(3) 0.5278(2) 0.0362(10) Uani 1.00 d . . .
C(2) C 0.3797(4) 0.0794(3) 0.5395(3) 0.052(1) Uani 1.00 d . . .
C(3) C 0.3608(4) -0.0058(4) 0.5604(3) 0.063(2) Uani 1.00 d . . .
C(4) C 0.2542(5) -0.0591(4) 0.5692(3) 0.063(2) Uani 1.00 d . . .
C(5) C 0.1663(4) -0.0281(3) 0.5569(3) 0.060(1) Uani 1.00 d . . .
C(6) C 0.1832(3) 0.0566(3) 0.5359(2) 0.045(1) Uani 1.00 d . . .
C(7) C 0.4183(3) 0.3322(3) 0.5782(2) 0.0353(10) Uani 1.00 d . . .
C(8) C 0.4547(3) 0.4271(3) 0.5686(2) 0.040(1) Uani 1.00 d . . .
C(9) C 0.5377(3) 0.5122(3) 0.6254(3) 0.048(1) Uani 1.00 d . . .
C(10) C 0.5863(4) 0.5040(3) 0.6912(3) 0.055(1) Uani 1.00 d . . .
C(11) C 0.5504(4) 0.4113(4) 0.7011(3) 0.061(1) Uani 1.00 d . . .
C(12) C 0.4664(4) 0.3253(3) 0.6451(2) 0.052(1) Uani 1.00 d . . .
C(13) C 0.3900(3) 0.2105(3) 0.4262(2) 0.045(1) Uani 1.00 d . . .
C(14) C 0.2077(3) 0.4816(3) 0.5392(2) 0.041(1) Uani 1.00 d . . .
C(15) C 0.2406(3) 0.4909(3) 0.4736(2) 0.043(1) Uani 1.00 d . . .
C(16) C 0.2771(4) 0.5850(3) 0.4641(3) 0.053(1) Uani 1.00 d . . .
C(17) C 0.2820(4) 0.6692(3) 0.5199(3) 0.060(2) Uani 1.00 d . . .
C(18) C 0.2503(4) 0.6622(3) 0.5856(3) 0.064(2) Uani 1.00 d . . .
C(19) C 0.2118(4) 0.5685(3) 0.5951(3) 0.054(1) Uani 1.00 d . . .
C(20) C 0.1977(3) 0.3595(3) 0.6408(2) 0.042(1) Uani 1.00 d . . .
C(21) C 0.2861(4) 0.4411(3) 0.6969(2) 0.051(1) Uani 1.00 d . . .
C(22) C 0.3185(4) 0.4336(4) 0.7668(2) 0.065(1) Uani 1.00 d . . .
C(23) C 0.2645(5) 0.3465(4) 0.7819(3) 0.071(2) Uani 1.00 d . . .
C(24) C 0.1770(5) 0.2652(4) 0.7271(3) 0.068(2) Uani 1.00 d . . .
C(25) C 0.1432(4) 0.2711(3) 0.6574(3) 0.054(1) Uani 1.00 d . . .
C(26) C -0.0036(4) 0.3405(4) 0.5444(3) 0.058(1) Uani 1.00 d . . .
C(27) C 0.6092(3) 0.2494(3) 0.1507(2) 0.039(1) Uani 1.00 d . . .
C(28) C 0.6133(4) 0.1860(4) 0.1914(3) 0.058(1) Uani 1.00 d . . .
C(29) C 0.5283(4) 0.1544(5) 0.2286(3) 0.074(2) Uani 1.00 d . . .
C(30) C 0.4389(4) 0.1871(5) 0.2256(3) 0.075(2) Uani 1.00 d . . .
C(31) C 0.4319(4) 0.2492(4) 0.1845(3) 0.063(2) Uani 1.00 d . . .
C(32) C 0.5182(3) 0.2806(3) 0.1474(2) 0.045(1) Uani 1.00 d . . .
C(33) C 0.8477(3) 0.3899(3) 0.1681(2) 0.0349(10) Uani 1.00 d . . .
C(34) C 0.9040(4) 0.3730(3) 0.2272(2) 0.046(1) Uani 1.00 d . . .
C(35) C 1.0078(4) 0.4476(4) 0.2752(2) 0.056(1) Uani 1.00 d . . .
C(36) C 1.0536(4) 0.5402(3) 0.2649(3) 0.057(1) Uani 1.00 d . . .
C(37) C 0.9959(4) 0.5581(3) 0.2071(3) 0.057(1) Uani 1.00 d . . .
C(38) C 0.8933(4) 0.4835(3) 0.1585(2) 0.046(1) Uani 1.00 d . . .
C(39) C 0.7532(3) 0.1807(3) 0.0620(2) 0.038(1) Uani 1.00 d . . .
C(40) C 0.8644(4) 0.1835(3) 0.0740(2) 0.052(1) Uani 1.00 d . . .
C(41) C 0.8840(5) 0.0976(4) 0.0380(3) 0.072(2) Uani 1.00 d . . .
C(42) C 0.7940(5) 0.0102(4) -0.0101(3) 0.076(2) Uani 1.00 d . . .
C(43) C 0.6834(5) 0.0067(3) -0.0220(3) 0.066(2) Uani 1.00 d . . .
C(44) C 0.6631(4) 0.0910(3) 0.0134(3) 0.051(1) Uani 1.00 d . . .
C(45) C 0.5411(3) 0.2351(3) -0.1080(2) 0.045(1) Uani 1.00 d . . .
C(46) C 0.4518(4) 0.1821(4) -0.0820(3) 0.063(1) Uani 1.00 d . . .
C(47) C 0.3489(5) 0.1126(5) -0.1335(4) 0.097(2) Uani 1.00 d . . .
C(48) C 0.3360(5) 0.0969(5) -0.2093(4) 0.109(2) Uani 1.00 d . . .
C(49) C 0.4233(5) 0.1492(4) -0.2345(3) 0.093(2) Uani 1.00 d . . .
C(50) C 0.5265(4) 0.2193(4) -0.1849(3) 0.068(1) Uani 1.00 d . . .
C(51) C 0.7887(3) 0.2872(3) -0.0725(2) 0.040(1) Uani 1.00 d . . .
C(52) C 0.9033(3) 0.3554(3) -0.0405(2) 0.047(1) Uani 1.00 d . . .
C(53) C 0.9927(4) 0.3269(4) -0.0572(3) 0.059(1) Uani 1.00 d . . .
C(54) C 0.9680(4) 0.2303(4) -0.1052(3) 0.067(2) Uani 1.00 d . . .
C(55) C 0.8565(5) 0.1613(4) -0.1361(3) 0.070(2) Uani 1.00 d . . .
C(56) C 0.7655(4) 0.1890(3) -0.1207(3) 0.057(1) Uani 1.00 d . . .
C(57) C 0.7014(3) 0.4463(3) -0.0509(2) 0.041(1) Uani 1.00 d . . .
C(58) C 0.7543(4) 0.4759(3) -0.1060(2) 0.050(1) Uani 1.00 d . . .
C(59) C 0.7695(4) 0.5693(4) -0.1126(3) 0.063(2) Uani 1.00 d . . .
C(60) C 0.7306(5) 0.6327(4) -0.0669(3) 0.074(2) Uani 1.00 d . . .
C(61) C 0.6773(5) 0.6051(4) -0.0118(3) 0.074(2) Uani 1.00 d . . .
C(62) C 0.6619(4) 0.5118(4) -0.0047(3) 0.056(1) Uani 1.00 d . . .
C(63) C 0.7308(6) 0.1721(6) 0.6539(5) 0.111(3) Uani 1.00 d . . .
C(64) C 0.8070(8) 0.1291(6) 0.6529(4) 0.140(4) Uani 1.00 d . . .
H(1) H 0.4536 0.1156 0.5331 0.0619 Uiso 1.00 calc . . .
H(2) H 0.4221 -0.0276 0.5686 0.0759 Uiso 1.00 calc . . .
H(3) H 0.2418 -0.1172 0.5840 0.0762 Uiso 1.00 calc . . .
H(4) H 0.0925 -0.0653 0.5628 0.0723 Uiso 1.00 calc . . .
H(5) H 0.1211 0.0771 0.5271 0.0538 Uiso 1.00 calc . . .
H(6) H 0.4224 0.4331 0.5230 0.0475 Uiso 1.00 calc . . .
H(7) H 0.5614 0.5767 0.6188 0.0580 Uiso 1.00 calc . . .
H(8) H 0.6444 0.5624 0.7296 0.0659 Uiso 1.00 calc . . .
H(9) H 0.5835 0.4058 0.7468 0.0735 Uiso 1.00 calc . . .
H(10) H 0.4419 0.2615 0.6527 0.0620 Uiso 1.00 calc . . .
H(11) H 0.3980 0.2637 0.4061 0.0543 Uiso 1.00 calc . . .
H(12) H 0.3484 0.1464 0.3870 0.0543 Uiso 1.00 calc . . .
H(13) H 0.4645 0.2149 0.4469 0.0543 Uiso 1.00 calc . . .
H(14) H 0.2382 0.4328 0.4351 0.0509 Uiso 1.00 calc . . .
H(15) H 0.2987 0.5911 0.4188 0.0634 Uiso 1.00 calc . . .
H(16) H 0.3077 0.7334 0.5130 0.0721 Uiso 1.00 calc . . .
H(17) H 0.2548 0.7212 0.6241 0.0770 Uiso 1.00 calc . . .
H(18) H 0.1880 0.5628 0.6399 0.0648 Uiso 1.00 calc . . .
H(19) H 0.3246 0.5020 0.6873 0.0606 Uiso 1.00 calc . . .
H(20) H 0.3793 0.4899 0.8052 0.0776 Uiso 1.00 calc . . .
H(21) H 0.2878 0.3426 0.8302 0.0851 Uiso 1.00 calc . . .
H(22) H 0.1395 0.2046 0.7372 0.0817 Uiso 1.00 calc . . .
H(23) H 0.0818 0.2144 0.6198 0.0650 Uiso 1.00 calc . . .
H(24) H -0.0375 0.3449 0.4986 0.0691 Uiso 1.00 calc . . .
H(25) H -0.0459 0.2757 0.5474 0.0691 Uiso 1.00 calc . . .
H(26) H -0.0052 0.3927 0.5864 0.0691 Uiso 1.00 calc . . .
H(27) H 0.6753 0.1640 0.1938 0.0695 Uiso 1.00 calc . . .
H(28) H 0.5314 0.1105 0.2562 0.0887 Uiso 1.00 calc . . .
H(29) H 0.3813 0.1665 0.2520 0.0899 Uiso 1.00 calc . . .
H(30) H 0.3693 0.2703 0.1816 0.0759 Uiso 1.00 calc . . .
H(31) H 0.5147 0.3240 0.1195 0.0544 Uiso 1.00 calc . . .
H(32) H 0.8714 0.3099 0.2351 0.0546 Uiso 1.00 calc . . .
H(33) H 1.0471 0.4349 0.3150 0.0675 Uiso 1.00 calc . . .
H(34) H 1.1246 0.5914 0.2974 0.0678 Uiso 1.00 calc . . .
H(35) H 1.0268 0.6223 0.2007 0.0686 Uiso 1.00 calc . . .
H(36) H 0.8544 0.4964 0.1188 0.0547 Uiso 1.00 calc . . .
H(37) H 0.9271 0.2441 0.1067 0.0620 Uiso 1.00 calc . . .
H(38) H 0.9601 0.0993 0.0468 0.0857 Uiso 1.00 calc . . .
H(39) H 0.8083 -0.0479 -0.0352 0.0914 Uiso 1.00 calc . . .
H(40) H 0.6211 -0.0541 -0.0548 0.0789 Uiso 1.00 calc . . .
H(41) H 0.5865 0.0882 0.0048 0.0608 Uiso 1.00 calc . . .
H(42) H 0.4604 0.1930 -0.0293 0.0760 Uiso 1.00 calc . . .
H(43) H 0.2869 0.0755 -0.1160 0.1163 Uiso 1.00 calc . . .
H(44) H 0.2652 0.0490 -0.2441 0.1310 Uiso 1.00 calc . . .
H(45) H 0.4139 0.1376 -0.2874 0.1117 Uiso 1.00 calc . . .
H(46) H 0.5873 0.2567 -0.2032 0.0817 Uiso 1.00 calc . . .
H(47) H 0.9201 0.4221 -0.0067 0.0558 Uiso 1.00 calc . . .
H(48) H 1.0707 0.3740 -0.0357 0.0707 Uiso 1.00 calc . . .
H(49) H 1.0295 0.2110 -0.1170 0.0804 Uiso 1.00 calc . . .
H(50) H 0.8410 0.0942 -0.1684 0.0838 Uiso 1.00 calc . . .
H(51) H 0.6878 0.1413 -0.1427 0.0678 Uiso 1.00 calc . . .
H(52) H 0.7799 0.4313 -0.1391 0.0603 Uiso 1.00 calc . . .
H(53) H 0.8073 0.5895 -0.1492 0.0751 Uiso 1.00 calc . . .
H(54) H 0.7398 0.6963 -0.0726 0.0884 Uiso 1.00 calc . . .
H(55) H 0.6516 0.6502 0.0207 0.0890 Uiso 1.00 calc . . .
H(56) H 0.6240 0.4921 0.0321 0.0670 Uiso 1.00 calc . . .
H(57) H 0.7810 0.0733 0.6707 0.1682 Uiso 1.00 calc . . .
H(58) H 0.8146 0.1050 0.6025 0.1682 Uiso 1.00 calc . . .
H(59) H 0.8797 0.1778 0.6848 0.1682 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Pt Pt -1.703 8.390
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P(4) Pt(1) P(5) 99.69(4) . . . yes
P(4) Pt(1) O(1) 173.12(8) . . . yes
P(4) Pt(1) O(2) 83.50(7) . . . yes
P(5) Pt(1) O(1) 86.24(7) . . . yes
P(5) Pt(1) O(2) 169.74(7) . . . yes
O(1) Pt(1) O(2) 91.26(10) . . . yes
O(1) P(1) O(4) 115.9(2) . . . yes
O(1) P(1) O(5) 107.2(1) . . . yes
O(1) P(1) O(9) 110.1(2) . . . yes
O(4) P(1) O(5) 110.3(1) . . . yes
O(4) P(1) O(9) 110.7(2) . . . yes
O(5) P(1) O(9) 101.7(1) . . . yes
O(2) P(2) O(5) 107.3(1) . . . yes
O(2) P(2) O(6) 116.8(2) . . . yes
O(2) P(2) O(7) 109.2(1) . . . yes
O(5) P(2) O(6) 109.9(1) . . . yes
O(5) P(2) O(7) 101.6(1) . . . yes
O(6) P(2) O(7) 110.9(2) . . . yes
O(3) P(3) O(7) 108.4(2) . . . yes
O(3) P(3) O(8) 122.9(2) . . . yes
O(3) P(3) O(9) 108.7(2) . . . yes
O(7) P(3) O(8) 107.8(2) . . . yes
O(7) P(3) O(9) 99.2(1) . . . yes
O(8) P(3) O(9) 107.3(2) . . . yes
Pt(1) P(4) C(1) 113.0(1) . . . yes
Pt(1) P(4) C(7) 119.9(1) . . . yes
Pt(1) P(4) C(13) 107.6(1) . . . yes
C(1) P(4) C(7) 106.7(2) . . . yes
C(1) P(4) C(13) 105.1(2) . . . yes
C(7) P(4) C(13) 103.1(2) . . . yes
Pt(1) P(5) C(14) 115.4(1) . . . yes
Pt(1) P(5) C(20) 115.6(1) . . . yes
Pt(1) P(5) C(26) 109.3(1) . . . yes
C(14) P(5) C(20) 110.4(2) . . . yes
C(14) P(5) C(26) 101.9(2) . . . yes
C(20) P(5) C(26) 102.4(2) . . . yes
N(1) P(6) C(27) 107.5(2) . . . yes
N(1) P(6) C(33) 110.1(2) . . . yes
N(1) P(6) C(39) 114.9(2) . . . yes
C(27) P(6) C(33) 109.9(2) . . . yes
C(27) P(6) C(39) 106.2(2) . . . yes
C(33) P(6) C(39) 108.1(2) . . . yes
N(1) P(7) C(45) 110.6(2) . . . yes
N(1) P(7) C(51) 114.2(2) . . . yes
N(1) P(7) C(57) 109.1(2) . . . yes
C(45) P(7) C(51) 108.3(2) . . . yes
C(45) P(7) C(57) 107.1(2) . . . yes
C(51) P(7) C(57) 107.3(2) . . . yes
Pt(1) O(1) P(1) 127.8(2) . . . yes
Pt(1) O(2) P(2) 130.3(1) . . . yes
P(1) O(5) P(2) 123.4(1) . . . yes
P(2) O(7) P(3) 126.1(2) . . . yes
P(1) O(9) P(3) 129.7(2) . . . yes
P(6) N(1) P(7) 135.7(2) . . . yes
P(4) C(1) C(2) 121.7(3) . . . yes
P(4) C(1) C(6) 119.4(3) . . . yes
C(2) C(1) C(6) 118.9(4) . . . yes
C(1) C(2) C(3) 120.3(4) . . . yes
C(2) C(3) C(4) 120.4(4) . . . yes
C(3) C(4) C(5) 119.7(4) . . . yes
C(4) C(5) C(6) 120.8(4) . . . yes
C(1) C(6) C(5) 119.9(4) . . . yes
P(4) C(7) C(8) 117.6(3) . . . yes
P(4) C(7) C(12) 123.5(3) . . . yes
C(8) C(7) C(12) 118.9(3) . . . yes
C(7) C(8) C(9) 120.2(4) . . . yes
C(8) C(9) C(10) 120.4(4) . . . yes
C(9) C(10) C(11) 119.8(4) . . . yes
C(10) C(11) C(12) 120.6(4) . . . yes
C(7) C(12) C(11) 120.2(4) . . . yes
P(5) C(14) C(15) 119.3(3) . . . yes
P(5) C(14) C(19) 121.3(3) . . . yes
C(15) C(14) C(19) 118.9(4) . . . yes
C(14) C(15) C(16) 120.0(4) . . . yes
C(15) C(16) C(17) 120.1(4) . . . yes
C(16) C(17) C(18) 121.1(4) . . . yes
C(17) C(18) C(19) 119.4(4) . . . yes
C(14) C(19) C(18) 120.5(4) . . . yes
P(5) C(20) C(21) 125.5(3) . . . yes
P(5) C(20) C(25) 116.3(3) . . . yes
C(21) C(20) C(25) 118.2(4) . . . yes
C(20) C(21) C(22) 119.8(4) . . . yes
C(21) C(22) C(23) 121.2(4) . . . yes
C(22) C(23) C(24) 119.7(4) . . . yes
C(23) C(24) C(25) 120.1(4) . . . yes
C(20) C(25) C(24) 121.1(4) . . . yes
P(6) C(27) C(28) 120.6(3) . . . yes
P(6) C(27) C(32) 120.3(3) . . . yes
C(28) C(27) C(32) 119.1(4) . . . yes
C(27) C(28) C(29) 120.7(4) . . . yes
C(28) C(29) C(30) 119.5(4) . . . yes
C(29) C(30) C(31) 120.9(4) . . . yes
C(30) C(31) C(32) 118.9(4) . . . yes
C(27) C(32) C(31) 120.8(4) . . . yes
P(6) C(33) C(34) 120.4(3) . . . yes
P(6) C(33) C(38) 120.1(3) . . . yes
C(34) C(33) C(38) 119.5(3) . . . yes
C(33) C(34) C(35) 120.5(4) . . . yes
C(34) C(35) C(36) 119.8(4) . . . yes
C(35) C(36) C(37) 119.7(4) . . . yes
C(36) C(37) C(38) 120.7(4) . . . yes
C(33) C(38) C(37) 119.8(4) . . . yes
P(6) C(39) C(40) 123.4(3) . . . yes
P(6) C(39) C(44) 117.7(3) . . . yes
C(40) C(39) C(44) 118.8(4) . . . yes
C(39) C(40) C(41) 119.8(4) . . . yes
C(40) C(41) C(42) 120.4(5) . . . yes
C(41) C(42) C(43) 120.1(5) . . . yes
C(42) C(43) C(44) 119.9(4) . . . yes
C(39) C(44) C(43) 120.9(4) . . . yes
P(7) C(45) C(46) 120.1(3) . . . yes
P(7) C(45) C(50) 120.2(3) . . . yes
C(46) C(45) C(50) 119.7(4) . . . yes
C(45) C(46) C(47) 119.2(5) . . . yes
C(46) C(47) C(48) 120.6(5) . . . yes
C(47) C(48) C(49) 120.1(5) . . . yes
C(48) C(49) C(50) 120.9(5) . . . yes
C(45) C(50) C(49) 119.5(5) . . . yes
P(7) C(51) C(52) 118.9(3) . . . yes
P(7) C(51) C(56) 121.8(3) . . . yes
C(52) C(51) C(56) 119.0(4) . . . yes
C(51) C(52) C(53) 120.6(4) . . . yes
C(52) C(53) C(54) 119.5(4) . . . yes
C(53) C(54) C(55) 121.1(4) . . . yes
C(54) C(55) C(56) 120.2(5) . . . yes
C(51) C(56) C(55) 119.7(4) . . . yes
P(7) C(57) C(58) 121.7(3) . . . yes
P(7) C(57) C(62) 119.7(3) . . . yes
C(58) C(57) C(62) 118.5(4) . . . yes
C(57) C(58) C(59) 120.5(4) . . . yes
C(58) C(59) C(60) 120.3(5) . . . yes
C(59) C(60) C(61) 120.4(5) . . . yes
C(60) C(61) C(62) 119.7(5) . . . yes
C(57) C(62) C(61) 120.6(4) . . . yes
N(2) C(63) C(64) 173(1) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt(1) P(4) 2.217(1) . . yes
Pt(1) P(5) 2.221(1) . . yes
Pt(1) O(1) 2.082(2) . . yes
Pt(1) O(2) 2.100(2) . . yes
P(1) O(1) 1.511(3) . . yes
P(1) O(4) 1.457(3) . . yes
P(1) O(5) 1.606(3) . . yes
P(1) O(9) 1.585(3) . . yes
P(2) O(2) 1.506(3) . . yes
P(2) O(5) 1.607(3) . . yes
P(2) O(6) 1.457(3) . . yes
P(2) O(7) 1.593(3) . . yes
P(3) O(3) 1.472(3) . . yes
P(3) O(7) 1.640(3) . . yes
P(3) O(8) 1.463(3) . . yes
P(3) O(9) 1.637(3) . . yes
P(4) C(1) 1.819(4) . . yes
P(4) C(7) 1.811(4) . . yes
P(4) C(13) 1.813(4) . . yes
P(5) C(14) 1.813(4) . . yes
P(5) C(20) 1.814(4) . . yes
P(5) C(26) 1.815(4) . . yes
P(6) N(1) 1.590(3) . . yes
P(6) C(27) 1.796(4) . . yes
P(6) C(33) 1.801(4) . . yes
P(6) C(39) 1.802(4) . . yes
P(7) N(1) 1.576(3) . . yes
P(7) C(45) 1.796(4) . . yes
P(7) C(51) 1.789(4) . . yes
P(7) C(57) 1.798(4) . . yes
N(2) C(63) 1.106(9) . . yes
C(1) C(2) 1.381(5) . . yes
C(1) C(6) 1.391(5) . . yes
C(2) C(3) 1.384(6) . . yes
C(3) C(4) 1.372(7) . . yes
C(4) C(5) 1.364(7) . . yes
C(5) C(6) 1.381(6) . . yes
C(7) C(8) 1.398(5) . . yes
C(7) C(12) 1.382(5) . . yes
C(8) C(9) 1.383(5) . . yes
C(9) C(10) 1.376(6) . . yes
C(10) C(11) 1.372(6) . . yes
C(11) C(12) 1.387(6) . . yes
C(14) C(15) 1.385(6) . . yes
C(14) C(19) 1.401(5) . . yes
C(15) C(16) 1.386(6) . . yes
C(16) C(17) 1.371(6) . . yes
C(17) C(18) 1.372(7) . . yes
C(18) C(19) 1.381(7) . . yes
C(20) C(21) 1.383(5) . . yes
C(20) C(25) 1.401(6) . . yes
C(21) C(22) 1.384(6) . . yes
C(22) C(23) 1.368(7) . . yes
C(23) C(24) 1.366(7) . . yes
C(24) C(25) 1.371(6) . . yes
C(27) C(28) 1.384(6) . . yes
C(27) C(32) 1.385(5) . . yes
C(28) C(29) 1.380(6) . . yes
C(29) C(30) 1.379(7) . . yes
C(30) C(31) 1.381(7) . . yes
C(31) C(32) 1.388(6) . . yes
C(33) C(34) 1.381(5) . . yes
C(33) C(38) 1.386(5) . . yes
C(34) C(35) 1.389(6) . . yes
C(35) C(36) 1.379(6) . . yes
C(36) C(37) 1.378(6) . . yes
C(37) C(38) 1.384(6) . . yes
C(39) C(40) 1.385(5) . . yes
C(39) C(44) 1.393(5) . . yes
C(40) C(41) 1.389(6) . . yes
C(41) C(42) 1.374(7) . . yes
C(42) C(43) 1.373(7) . . yes
C(43) C(44) 1.372(6) . . yes
C(45) C(46) 1.375(6) . . yes
C(45) C(50) 1.386(6) . . yes
C(46) C(47) 1.386(7) . . yes
C(47) C(48) 1.366(9) . . yes
C(48) C(49) 1.345(8) . . yes
C(49) C(50) 1.378(6) . . yes
C(51) C(52) 1.393(5) . . yes
C(51) C(56) 1.394(6) . . yes
C(52) C(53) 1.382(6) . . yes
C(53) C(54) 1.370(7) . . yes
C(54) C(55) 1.365(7) . . yes
C(55) C(56) 1.389(6) . . yes
C(57) C(58) 1.399(5) . . yes
C(57) C(62) 1.389(6) . . yes
C(58) C(59) 1.379(6) . . yes
C(59) C(60) 1.359(7) . . yes
C(60) C(61) 1.390(8) . . yes
C(61) C(62) 1.381(6) . . yes
C(63) C(64) 1.329(9) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O(1) C(5) 3.448(5) . 2_556 ?
O(3) C(9) 3.164(5) . 2_666 ?
O(3) C(10) 3.257(5) . 2_666 ?
O(4) C(28) 3.132(5) . 1_455 ?
O(4) C(34) 3.374(5) . 1_455 ?
O(4) C(18) 3.418(5) . 2_566 ?
O(4) C(48) 3.544(7) . 2_555 ?
O(5) C(48) 3.336(6) . 2_555 ?
O(5) C(5) 3.519(5) . 2_556 ?
O(6) C(55) 3.089(5) . 2_655 ?
O(6) C(64) 3.146(8) . 2_656 ?
O(6) C(54) 3.173(6) . 2_655 ?
O(6) C(24) 3.350(6) . 2_556 ?
O(8) C(59) 3.299(5) . 2_665 ?
O(8) C(60) 3.332(6) . 2_665 ?
O(8) C(31) 3.410(6) . . ?
O(9) C(34) 3.181(5) . 1_455 ?
O(9) C(35) 3.287(5) . 1_455 ?
N(2) C(12) 3.564(9) . . ?
C(8) C(16) 3.587(6) . 2_666 ?
C(9) C(16) 3.522(6) . 2_666 ?
C(9) C(15) 3.571(6) . 2_666 ?
C(17) C(26) 3.531(6) . 2_566 ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Pt(1) P(4) C(1) C(2) 162.0(3) . . . . yes
Pt(1) P(4) C(1) C(6) -16.8(4) . . . . yes
Pt(1) P(4) C(7) C(8) -53.9(3) . . . . yes
Pt(1) P(4) C(7) C(12) 127.9(3) . . . . yes
Pt(1) P(5) C(14) C(15) 7.3(4) . . . . yes
Pt(1) P(5) C(14) C(19) -179.9(3) . . . . yes
Pt(1) P(5) C(20) C(21) 123.9(3) . . . . yes
Pt(1) P(5) C(20) C(25) -55.9(3) . . . . yes
Pt(1) O(1) P(1) O(4) 167.9(2) . . . . yes
Pt(1) O(1) P(1) O(5) 44.3(2) . . . . yes
Pt(1) O(1) P(1) O(9) -65.5(2) . . . . yes
Pt(1) O(2) P(2) O(5) -35.6(2) . . . . yes
Pt(1) O(2) P(2) O(6) -159.5(2) . . . . yes
Pt(1) O(2) P(2) O(7) 73.8(2) . . . . yes
P(1) O(1) Pt(1) P(4) 16.2(8) . . . . yes
P(1) O(1) Pt(1) P(5) 166.0(2) . . . . yes
P(1) O(1) Pt(1) O(2) -24.0(2) . . . . yes
P(1) O(5) P(2) O(2) 60.2(2) . . . . yes
P(1) O(5) P(2) O(6) -171.8(2) . . . . yes
P(1) O(5) P(2) O(7) -54.3(2) . . . . yes
P(1) O(9) P(3) O(3) -70.3(3) . . . . yes
P(1) O(9) P(3) O(7) 42.8(3) . . . . yes
P(1) O(9) P(3) O(8) 154.9(2) . . . . yes
P(2) O(2) Pt(1) P(4) -156.0(2) . . . . yes
P(2) O(2) Pt(1) P(5) 95.2(4) . . . . yes
P(2) O(2) Pt(1) O(1) 19.5(2) . . . . yes
P(2) O(5) P(1) O(1) -65.1(2) . . . . yes
P(2) O(5) P(1) O(4) 167.9(2) . . . . yes
P(2) O(5) P(1) O(9) 50.4(2) . . . . yes
P(2) O(7) P(3) O(3) 67.1(2) . . . . yes
P(2) O(7) P(3) O(8) -157.8(2) . . . . yes
P(2) O(7) P(3) O(9) -46.2(2) . . . . yes
P(3) O(7) P(2) O(2) -60.1(2) . . . . yes
P(3) O(7) P(2) O(5) 53.0(2) . . . . yes
P(3) O(7) P(2) O(6) 169.8(2) . . . . yes
P(3) O(9) P(1) O(1) 67.7(3) . . . . yes
P(3) O(9) P(1) O(4) -162.8(2) . . . . yes
P(3) O(9) P(1) O(5) -45.7(3) . . . . yes
P(4) Pt(1) P(5) C(14) 92.9(1) . . . . yes
P(4) Pt(1) P(5) C(20) -38.1(1) . . . . yes
P(4) Pt(1) P(5) C(26) -153.1(2) . . . . yes
P(4) C(1) C(2) C(3) -180.0 . . . . yes
P(4) C(1) C(6) C(5) -179.9(3) . . . . yes
P(4) C(7) C(8) C(9) -178.2(3) . . . . yes
P(4) C(7) C(12) C(11) 177.5(4) . . . . yes
P(5) Pt(1) P(4) C(1) 108.3(1) . . . . yes
P(5) Pt(1) P(4) C(7) -18.9(1) . . . . yes
P(5) Pt(1) P(4) C(13) -136.1(2) . . . . yes
P(5) C(14) C(15) C(16) 173.1(3) . . . . yes
P(5) C(14) C(19) C(18) -174.1(3) . . . . yes
P(5) C(20) C(21) C(22) -179.6(4) . . . . yes
P(5) C(20) C(25) C(24) 179.4(4) . . . . yes
P(6) N(1) P(7) C(45) 105.6(3) . . . . yes
P(6) N(1) P(7) C(51) -16.9(4) . . . . yes
P(6) N(1) P(7) C(57) -136.9(3) . . . . yes
P(6) C(27) C(28) C(29) -179.5(4) . . . . yes
P(6) C(27) C(32) C(31) 179.4(3) . . . . yes
P(6) C(33) C(34) C(35) 175.1(3) . . . . yes
P(6) C(33) C(38) C(37) -176.1(3) . . . . yes
P(6) C(39) C(40) C(41) -176.6(4) . . . . yes
P(6) C(39) C(44) C(43) 176.6(4) . . . . yes
P(7) N(1) P(6) C(27) -141.1(3) . . . . yes
P(7) N(1) P(6) C(33) 99.2(3) . . . . yes
P(7) N(1) P(6) C(39) -23.1(4) . . . . yes
P(7) C(45) C(46) C(47) -178.6(5) . . . . yes
P(7) C(45) C(50) C(49) 178.3(5) . . . . yes
P(7) C(51) C(52) C(53) 174.4(3) . . . . yes
P(7) C(51) C(56) C(55) -173.4(4) . . . . yes
P(7) C(57) C(58) C(59) 178.1(3) . . . . yes
P(7) C(57) C(62) C(61) -178.0(4) . . . . yes
O(1) Pt(1) P(4) C(1) -102.4(7) . . . . yes
O(1) Pt(1) P(4) C(7) 130.4(7) . . . . yes
O(1) Pt(1) P(4) C(13) 13.2(7) . . . . yes
O(1) Pt(1) P(5) C(14) -83.6(2) . . . . yes
O(1) Pt(1) P(5) C(20) 145.4(2) . . . . yes
O(1) Pt(1) P(5) C(26) 30.5(2) . . . . yes
O(2) Pt(1) P(4) C(1) -61.8(1) . . . . yes
O(2) Pt(1) P(4) C(7) 171.0(2) . . . . yes
O(2) Pt(1) P(4) C(13) 53.7(2) . . . . yes
O(2) Pt(1) P(5) C(14) -159.8(4) . . . . yes
O(2) Pt(1) P(5) C(20) 69.2(4) . . . . yes
O(2) Pt(1) P(5) C(26) -45.7(5) . . . . yes
N(1) P(6) C(27) C(28) 162.4(4) . . . . yes
N(1) P(6) C(27) C(32) -16.9(4) . . . . yes
N(1) P(6) C(33) C(34) 178.2(3) . . . . yes
N(1) P(6) C(33) C(38) -4.2(4) . . . . yes
N(1) P(6) C(39) C(40) 114.7(4) . . . . yes
N(1) P(6) C(39) C(44) -61.7(4) . . . . yes
N(1) P(7) C(45) C(46) -2.1(5) . . . . yes
N(1) P(7) C(45) C(50) 178.5(4) . . . . yes
N(1) P(7) C(51) C(52) -69.4(4) . . . . yes
N(1) P(7) C(51) C(56) 103.5(4) . . . . yes
N(1) P(7) C(57) C(58) 154.8(3) . . . . yes
N(1) P(7) C(57) C(62) -29.0(4) . . . . yes
C(1) P(4) C(7) C(8) 176.1(3) . . . . yes
C(1) P(4) C(7) C(12) -2.1(4) . . . . yes
C(1) C(2) C(3) C(4) 0.4(7) . . . . yes
C(1) C(6) C(5) C(4) -0.5(7) . . . . yes
C(2) C(1) P(4) C(7) -64.1(4) . . . . yes
C(2) C(1) P(4) C(13) 45.0(4) . . . . yes
C(2) C(1) C(6) C(5) 1.3(6) . . . . yes
C(2) C(3) C(4) C(5) 0.4(8) . . . . yes
C(3) C(2) C(1) C(6) -1.2(6) . . . . yes
C(3) C(4) C(5) C(6) -0.3(8) . . . . yes
C(6) C(1) P(4) C(7) 117.1(3) . . . . yes
C(6) C(1) P(4) C(13) -133.8(3) . . . . yes
C(7) C(8) C(9) C(10) 0.9(6) . . . . yes
C(7) C(12) C(11) C(10) 0.4(8) . . . . yes
C(8) C(7) P(4) C(13) 65.6(3) . . . . yes
C(8) C(7) C(12) C(11) -0.8(7) . . . . yes
C(8) C(9) C(10) C(11) -1.3(7) . . . . yes
C(9) C(8) C(7) C(12) 0.1(6) . . . . yes
C(9) C(10) C(11) C(12) 0.6(8) . . . . yes
C(12) C(7) P(4) C(13) -112.6(4) . . . . yes
C(14) P(5) C(20) C(21) -9.4(4) . . . . yes
C(14) P(5) C(20) C(25) 170.8(3) . . . . yes
C(14) C(15) C(16) C(17) 0.8(6) . . . . yes
C(14) C(19) C(18) C(17) 1.5(7) . . . . yes
C(15) C(14) P(5) C(20) 140.7(3) . . . . yes
C(15) C(14) P(5) C(26) -111.0(3) . . . . yes
C(15) C(14) C(19) C(18) -1.3(6) . . . . yes
C(15) C(16) C(17) C(18) -0.5(7) . . . . yes
C(16) C(15) C(14) C(19) 0.1(6) . . . . yes
C(16) C(17) C(18) C(19) -0.6(7) . . . . yes
C(19) C(14) P(5) C(20) -46.5(4) . . . . yes
C(19) C(14) P(5) C(26) 61.8(4) . . . . yes
C(20) C(21) C(22) C(23) 0.0(8) . . . . yes
C(20) C(25) C(24) C(23) 0.6(8) . . . . yes
C(21) C(20) P(5) C(26) -117.3(4) . . . . yes
C(21) C(20) C(25) C(24) -0.5(7) . . . . yes
C(21) C(22) C(23) C(24) 0.0(9) . . . . yes
C(22) C(21) C(20) C(25) 0.2(7) . . . . yes
C(22) C(23) C(24) C(25) -0.3(9) . . . . yes
C(25) C(20) P(5) C(26) 62.9(4) . . . . yes
C(27) P(6) C(33) C(34) 60.0(4) . . . . yes
C(27) P(6) C(33) C(38) -122.5(3) . . . . yes
C(27) P(6) C(39) C(40) -126.6(4) . . . . yes
C(27) P(6) C(39) C(44) 57.0(4) . . . . yes
C(27) C(28) C(29) C(30) -0.6(8) . . . . yes
C(27) C(32) C(31) C(30) 0.8(7) . . . . yes
C(28) C(27) P(6) C(33) -77.8(4) . . . . yes
C(28) C(27) P(6) C(39) 38.9(4) . . . . yes
C(28) C(27) C(32) C(31) 0.1(6) . . . . yes
C(28) C(29) C(30) C(31) 1.5(9) . . . . yes
C(29) C(28) C(27) C(32) -0.2(7) . . . . yes
C(29) C(30) C(31) C(32) -1.6(8) . . . . yes
C(32) C(27) P(6) C(33) 102.9(3) . . . . yes
C(32) C(27) P(6) C(39) -140.4(3) . . . . yes
C(33) P(6) C(39) C(40) -8.7(4) . . . . yes
C(33) P(6) C(39) C(44) 174.9(3) . . . . yes
C(33) C(34) C(35) C(36) 1.7(7) . . . . yes
C(33) C(38) C(37) C(36) 0.3(7) . . . . yes
C(34) C(33) P(6) C(39) -55.5(4) . . . . yes
C(34) C(33) C(38) C(37) 1.5(6) . . . . yes
C(34) C(35) C(36) C(37) 0.1(7) . . . . yes
C(35) C(34) C(33) C(38) -2.5(6) . . . . yes
C(35) C(36) C(37) C(38) -1.0(7) . . . . yes
C(38) C(33) P(6) C(39) 122.0(3) . . . . yes
C(39) C(40) C(41) C(42) 0.8(8) . . . . yes
C(39) C(44) C(43) C(42) -0.3(8) . . . . yes
C(40) C(39) C(44) C(43) 0.0(7) . . . . yes
C(40) C(41) C(42) C(43) -1.1(9) . . . . yes
C(41) C(40) C(39) C(44) -0.3(7) . . . . yes
C(41) C(42) C(43) C(44) 0.9(9) . . . . yes
C(45) P(7) C(51) C(52) 166.9(3) . . . . yes
C(45) P(7) C(51) C(56) -20.1(4) . . . . yes
C(45) P(7) C(57) C(58) -85.5(4) . . . . yes
C(45) P(7) C(57) C(62) 90.7(4) . . . . yes
C(45) C(46) C(47) C(48) 0(1) . . . . yes
C(45) C(50) C(49) C(48) 0(1) . . . . yes
C(46) C(45) P(7) C(51) 123.8(4) . . . . yes
C(46) C(45) P(7) C(57) -120.8(4) . . . . yes
C(46) C(45) C(50) C(49) -1.2(8) . . . . yes
C(46) C(47) C(48) C(49) 0(1) . . . . yes
C(47) C(46) C(45) C(50) 0.8(8) . . . . yes
C(47) C(48) C(49) C(50) 0(1) . . . . yes
C(50) C(45) P(7) C(51) -55.7(4) . . . . yes
C(50) C(45) P(7) C(57) 59.7(4) . . . . yes
C(51) P(7) C(57) C(58) 30.5(4) . . . . yes
C(51) P(7) C(57) C(62) -153.2(3) . . . . yes
C(51) C(52) C(53) C(54) -0.8(7) . . . . yes
C(51) C(56) C(55) C(54) -0.9(8) . . . . yes
C(52) C(51) P(7) C(57) 51.6(4) . . . . yes
C(52) C(51) C(56) C(55) -0.4(7) . . . . yes
C(52) C(53) C(54) C(55) -0.6(8) . . . . yes
C(53) C(52) C(51) C(56) 1.2(6) . . . . yes
C(53) C(54) C(55) C(56) 1.4(8) . . . . yes
C(56) C(51) P(7) C(57) -135.4(4) . . . . yes
C(57) C(58) C(59) C(60) -1.7(7) . . . . yes
C(57) C(62) C(61) C(60) 1.5(8) . . . . yes
C(58) C(57) C(62) C(61) -1.7(7) . . . . yes
C(58) C(59) C(60) C(61) 1.5(8) . . . . yes
C(59) C(58) C(57) C(62) 1.8(6) . . . . yes
C(59) C(60) C(61) C(62) -1.3(8) . . . . yes
C(59) C(60) C(61) C(62) -1.3(8) . . . . yes
