#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/27/7012797.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_7012797
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)(PPh3)2]
_chemical_formula_sum            'C74.5 H65 Cl5 N O9 P7 Pt'
_chemical_formula_weight         1707.51
_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             2003-04-03
_audit_creation_method           'by CrystalStructure v3.00'
_cell_angle_alpha                105.188(2)
_cell_angle_beta                 92.784(2)
_cell_angle_gamma                103.9060(9)
_cell_formula_units_Z            2
_cell_length_a                   14.1829(7)
_cell_length_b                   15.9737(4)
_cell_length_c                   17.0641(7)
_cell_measurement_reflns_used    14577
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.4
_cell_volume                     3595.8(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9372
_diffrn_measured_fraction_theta_max 0.9406
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24088
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    2.343
_exptl_absorpt_correction_T_max  0.626
_exptl_absorpt_correction_T_min  0.442
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1718.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.58
_refine_diff_density_min         -1.79
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     932
_refine_ls_number_reflns         13232
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.0060
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo² + 1.0000σ²(Fo) + 0.0001]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0390
_reflns_number_gt                13232
_reflns_number_total             15499
_cod_data_source_file            b301223a.txt
_cod_data_source_block           (PPN)[Pt(P3O9)(PPh3)2](3)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C74.50 H65 Cl5 N O9 P7 Pt '
_cod_database_code               7012797
#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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.38624(1) 0.21921(1) 0.77339(1) 0.00845(3) Uani 1.00 1 d . . .
Cl1 Cl 0.41550(9) 0.67516(6) 0.68667(7) 0.0364(3) Uani 1.00 1 d . . .
Cl2 Cl 0.52799(9) 0.54760(9) 0.61868(7) 0.0434(3) Uani 1.00 1 d . . .
Cl3 Cl 0.95007(9) 0.78222(8) 0.54636(7) 0.0415(3) Uani 1.00 1 d . . .
Cl4 Cl 1.07750(9) 0.67897(9) 0.46051(7) 0.0427(3) Uani 1.00 1 d . . .
Cl5 Cl 1.0881(1) 0.9715(1) 0.4752(1) 0.0750(6) Uani 1.00 1 d . . .
P1 P 0.26934(6) 0.34217(5) 0.70034(5) 0.0129(2) Uani 1.00 1 d . . .
P2 P 0.24817(6) 0.34249(5) 0.86460(5) 0.0125(2) Uani 1.00 1 d . . .
P3 P 0.11783(6) 0.20117(5) 0.73084(5) 0.0134(2) Uani 1.00 1 d . . .
P4 P 0.43232(6) 0.15969(5) 0.86900(5) 0.0110(2) Uani 1.00 1 d . . .
P5 P 0.44649(6) 0.14154(5) 0.66820(5) 0.0112(2) Uani 1.00 1 d . . .
P6 P 0.97604(6) 0.72908(5) 0.82065(5) 0.0119(2) Uani 1.00 1 d . . .
P7 P 0.81146(6) 0.56764(5) 0.78387(5) 0.0115(2) Uani 1.00 1 d . . .
O1 O 0.3479(2) 0.2925(1) 0.6987(1) 0.0136(5) Uani 1.00 1 d . . .
O2 O 0.3318(2) 0.2988(1) 0.8688(1) 0.0135(5) Uani 1.00 1 d . . .
O3 O 0.1708(2) 0.1306(1) 0.7176(1) 0.0176(6) Uani 1.00 1 d . . .
O4 O 0.2756(2) 0.4041(1) 0.6495(1) 0.0195(6) Uani 1.00 1 d . . .
O5 O 0.2674(2) 0.3949(1) 0.7947(1) 0.0144(5) Uani 1.00 1 d . . .
O6 O 0.2312(2) 0.4029(2) 0.9400(1) 0.0195(6) Uani 1.00 1 d . . .
O7 O 0.1499(2) 0.2668(1) 0.8242(1) 0.0152(5) Uani 1.00 1 d . . .
O8 O 0.0111(2) 0.1814(1) 0.7148(2) 0.0207(6) Uani 1.00 1 d . . .
O9 O 0.1642(2) 0.2725(1) 0.6806(1) 0.0151(5) Uani 1.00 1 d . . .
N1 N 0.8691(2) 0.6702(2) 0.8210(2) 0.0143(6) Uani 1.00 1 d . . .
C1 C 0.3320(2) 0.1361(2) 0.9297(2) 0.0126(7) Uani 1.00 1 d . . .
C2 C 0.2369(3) 0.1037(2) 0.8894(2) 0.0169(8) Uani 1.00 1 d . . .
C3 C 0.1584(3) 0.0827(2) 0.9332(2) 0.0194(8) Uani 1.00 1 d . . .
C4 C 0.1745(3) 0.0935(2) 1.0164(2) 0.0201(8) Uani 1.00 1 d . . .
C5 C 0.2692(3) 0.1257(3) 1.0560(2) 0.0234(9) Uani 1.00 1 d . . .
C6 C 0.3478(3) 0.1469(2) 1.0130(2) 0.0183(8) Uani 1.00 1 d . . .
C7 C 0.4707(2) 0.0554(2) 0.8434(2) 0.0126(7) Uani 1.00 1 d . . .
C8 C 0.4022(3) -0.0266(2) 0.8347(2) 0.0178(8) Uani 1.00 1 d . . .
C9 C 0.4316(3) -0.1058(2) 0.8170(2) 0.0235(9) Uani 1.00 1 d . . .
C10 C 0.5288(3) -0.1041(2) 0.8074(2) 0.0245(9) Uani 1.00 1 d . . .
C11 C 0.5962(3) -0.0227(2) 0.8159(2) 0.0236(9) Uani 1.00 1 d . . .
C12 C 0.5671(3) 0.0568(2) 0.8338(2) 0.0180(8) Uani 1.00 1 d . . .
C13 C 0.5350(2) 0.2395(2) 0.9383(2) 0.0128(7) Uani 1.00 1 d . . .
C14 C 0.5621(2) 0.3280(2) 0.9330(2) 0.0140(7) Uani 1.00 1 d . . .
C15 C 0.6415(2) 0.3912(2) 0.9828(2) 0.0161(8) Uani 1.00 1 d . . .
C16 C 0.6939(3) 0.3665(2) 1.0395(2) 0.0219(8) Uani 1.00 1 d . . .
C17 C 0.6666(3) 0.2804(2) 1.0475(2) 0.0224(9) Uani 1.00 1 d . . .
C18 C 0.5884(3) 0.2164(2) 0.9966(2) 0.0180(8) Uani 1.00 1 d . . .
C19 C 0.3962(2) 0.0206(2) 0.6460(2) 0.0136(7) Uani 1.00 1 d . . .
C20 C 0.2945(3) -0.0100(2) 0.6444(2) 0.0162(8) Uani 1.00 1 d . . .
C21 C 0.2502(3) -0.1017(2) 0.6245(2) 0.0194(8) Uani 1.00 1 d . . .
C22 C 0.3062(3) -0.1629(2) 0.6078(2) 0.0225(9) Uani 1.00 1 d . . .
C23 C 0.4070(3) -0.1331(2) 0.6106(2) 0.0211(9) Uani 1.00 1 d . . .
C24 C 0.4520(3) -0.0412(2) 0.6291(2) 0.0164(8) Uani 1.00 1 d . . .
C25 C 0.4156(2) 0.1692(2) 0.5747(2) 0.0144(7) Uani 1.00 1 d . . .
C26 C 0.4652(3) 0.2525(2) 0.5663(2) 0.0213(9) Uani 1.00 1 d . . .
C27 C 0.4398(3) 0.2799(3) 0.4990(2) 0.026(1) Uani 1.00 1 d . . .
C28 C 0.3653(3) 0.2241(3) 0.4403(2) 0.031(1) Uani 1.00 1 d . . .
C29 C 0.3161(3) 0.1415(3) 0.4480(3) 0.038(1) Uani 1.00 1 d . . .
C30 C 0.3406(3) 0.1140(3) 0.5156(2) 0.028(1) Uani 1.00 1 d . . .
C31 C 0.5786(2) 0.1657(2) 0.6750(2) 0.0137(7) Uani 1.00 1 d . . .
C32 C 0.6376(3) 0.2250(2) 0.7444(2) 0.0173(8) Uani 1.00 1 d . . .
C33 C 0.7389(3) 0.2422(2) 0.7492(2) 0.0222(9) Uani 1.00 1 d . . .
C34 C 0.7827(3) 0.2007(3) 0.6847(2) 0.0241(9) Uani 1.00 1 d . . .
C35 C 0.7245(3) 0.1439(3) 0.6138(2) 0.0247(9) Uani 1.00 1 d . . .
C36 C 0.6238(3) 0.1274(2) 0.6083(2) 0.0191(8) Uani 1.00 1 d . . .
C37 C 0.9652(2) 0.8197(2) 0.7792(2) 0.0149(7) Uani 1.00 1 d . . .
C38 C 1.0463(3) 0.8748(2) 0.7580(2) 0.0203(8) Uani 1.00 1 d . . .
C39 C 1.0353(3) 0.9479(2) 0.7326(2) 0.0251(9) Uani 1.00 1 d . . .
C40 C 0.9459(3) 0.9673(2) 0.7287(2) 0.0247(9) Uani 1.00 1 d . . .
C41 C 0.8649(3) 0.9119(3) 0.7487(2) 0.025(1) Uani 1.00 1 d . . .
C42 C 0.8746(3) 0.8378(2) 0.7736(2) 0.0187(8) Uani 1.00 1 d . . .
C43 C 1.0542(2) 0.6691(2) 0.7637(2) 0.0144(7) Uani 1.00 1 d . . .
C44 C 1.1131(3) 0.6301(2) 0.8029(2) 0.0178(8) Uani 1.00 1 d . . .
C45 C 1.1622(3) 0.5718(2) 0.7570(2) 0.0193(8) Uani 1.00 1 d . . .
C46 C 1.1519(3) 0.5516(2) 0.6726(2) 0.0231(9) Uani 1.00 1 d . . .
C47 C 1.0941(3) 0.5910(3) 0.6335(2) 0.0236(9) Uani 1.00 1 d . . .
C48 C 1.0452(3) 0.6500(2) 0.6786(2) 0.0192(8) Uani 1.00 1 d . . .
C49 C 1.0367(2) 0.7791(2) 0.9235(2) 0.0146(7) Uani 1.00 1 d . . .
C50 C 0.9897(3) 0.7647(2) 0.9904(2) 0.0199(8) Uani 1.00 1 d . . .
C51 C 1.0375(3) 0.8055(3) 1.0688(2) 0.0238(9) Uani 1.00 1 d . . .
C52 C 1.1319(3) 0.8599(2) 1.0809(2) 0.0243(9) Uani 1.00 1 d . . .
C53 C 1.1800(3) 0.8750(2) 1.0147(2) 0.0234(9) Uani 1.00 1 d . . .
C54 C 1.1322(3) 0.8354(2) 0.9367(2) 0.0204(8) Uani 1.00 1 d . . .
C55 C 0.7855(2) 0.5330(2) 0.6740(2) 0.0180(8) Uani 1.00 1 d . . .
C56 C 0.7875(3) 0.5984(3) 0.6334(2) 0.0216(9) Uani 1.00 1 d . . .
C57 C 0.7566(3) 0.5737(3) 0.5498(2) 0.031(1) Uani 1.00 1 d . . .
C58 C 0.7221(3) 0.4834(3) 0.5079(2) 0.036(1) Uani 1.00 1 d . . .
C59 C 0.7209(3) 0.4181(3) 0.5474(2) 0.033(1) Uani 1.00 1 d . . .
C60 C 0.7532(3) 0.4420(3) 0.6308(2) 0.0230(9) Uani 1.00 1 d . . .
C61 C 0.6954(2) 0.5542(2) 0.8229(2) 0.0121(7) Uani 1.00 1 d . . .
C62 C 0.6190(2) 0.4776(2) 0.7858(2) 0.0162(8) Uani 1.00 1 d . . .
C63 C 0.5298(2) 0.4662(2) 0.8170(2) 0.0168(8) Uani 1.00 1 d . . .
C64 C 0.5166(3) 0.5297(2) 0.8853(2) 0.0187(8) Uani 1.00 1 d . . .
C65 C 0.5920(3) 0.6054(2) 0.9224(2) 0.0209(8) Uani 1.00 1 d . . .
C66 C 0.6814(3) 0.6188(2) 0.8910(2) 0.0180(8) Uani 1.00 1 d . . .
C67 C 0.8648(3) 0.4830(2) 0.8933(2) 0.0170(8) Uani 1.00 1 d . . .
C68 C 0.9193(3) 0.4328(3) 0.9210(2) 0.0244(9) Uani 1.00 1 d . . .
C69 C 0.9807(3) 0.3927(3) 0.8713(3) 0.026(1) Uani 1.00 1 d . . .
C70 C 0.9866(3) 0.4008(2) 0.7932(3) 0.0249(9) Uani 1.00 1 d . . .
C71 C 0.9321(2) 0.4507(2) 0.7640(2) 0.0178(8) Uani 1.00 1 d . . .
C72 C 0.8714(2) 0.4919(2) 0.8139(2) 0.0140(7) Uani 1.00 1 d . . .
C73 C 0.4540(3) 0.5800(3) 0.6949(2) 0.0277(8) Uiso 1.00 1 d . . .
C74 C 0.9755(3) 0.7220(3) 0.4508(3) 0.0335(9) Uiso 1.00 1 d . . .
C75 C 0.9670(6) 0.9715(5) 0.4616(5) 0.027(2) Uiso 0.50 1 d P . .
H1 H 0.2257(3) 0.0962(2) 0.8323(2) 0.020(1) Uiso 1.00 1 c . . .
H2 H 0.0936(3) 0.0609(2) 0.9060(2) 0.023(1) Uiso 1.00 1 c . . .
H3 H 0.1210(3) 0.0789(2) 1.0462(2) 0.025(1) Uiso 1.00 1 c . . .
H4 H 0.2804(3) 0.1332(3) 1.1131(2) 0.030(1) Uiso 1.00 1 c . . .
H5 H 0.4125(3) 0.1690(2) 1.0407(2) 0.022(1) Uiso 1.00 1 c . . .
H6 H 0.3358(3) -0.0279(2) 0.8414(2) 0.021(1) Uiso 1.00 1 c . . .
H7 H 0.3848(3) -0.1614(2) 0.8113(2) 0.027(1) Uiso 1.00 1 c . . .
H8 H 0.5487(3) -0.1584(2) 0.7948(2) 0.029(1) Uiso 1.00 1 c . . .
H9 H 0.6628(3) -0.0211(2) 0.8097(2) 0.029(1) Uiso 1.00 1 c . . .
H10 H 0.6138(3) 0.1124(2) 0.8395(2) 0.021(1) Uiso 1.00 1 c . . .
H11 H 0.5253(2) 0.3450(2) 0.8947(2) 0.017(1) Uiso 1.00 1 c . . .
H12 H 0.6599(2) 0.4508(2) 0.9782(2) 0.018(1) Uiso 1.00 1 c . . .
H13 H 0.7491(3) 0.4092(2) 1.0732(2) 0.024(1) Uiso 1.00 1 c . . .
H14 H 0.7016(3) 0.2650(2) 1.0881(2) 0.027(1) Uiso 1.00 1 c . . .
H15 H 0.5710(3) 0.1568(2) 1.0014(2) 0.022(1) Uiso 1.00 1 c . . .
H16 H 0.2562(3) 0.0320(2) 0.6575(2) 0.019(1) Uiso 1.00 1 c . . .
H17 H 0.1812(3) -0.1226(2) 0.6221(2) 0.022(1) Uiso 1.00 1 c . . .
H18 H 0.2757(3) -0.2255(2) 0.5942(2) 0.025(1) Uiso 1.00 1 c . . .
H19 H 0.4454(3) -0.1751(2) 0.6003(2) 0.026(1) Uiso 1.00 1 c . . .
H20 H 0.5208(3) -0.0208(2) 0.6301(2) 0.020(1) Uiso 1.00 1 c . . .
H21 H 0.5170(3) 0.2908(2) 0.6067(2) 0.025(1) Uiso 1.00 1 c . . .
H22 H 0.4738(3) 0.3368(3) 0.4938(2) 0.035(2) Uiso 1.00 1 c . . .
H23 H 0.3476(3) 0.2426(3) 0.3943(2) 0.041(2) Uiso 1.00 1 c . . .
H24 H 0.2653(3) 0.1028(3) 0.4069(3) 0.045(2) Uiso 1.00 1 c . . .
H25 H 0.3059(3) 0.0574(3) 0.5212(2) 0.033(1) Uiso 1.00 1 c . . .
H26 H 0.6081(3) 0.2538(2) 0.7888(2) 0.021(1) Uiso 1.00 1 c . . .
H27 H 0.7782(3) 0.2824(2) 0.7972(2) 0.024(1) Uiso 1.00 1 c . . .
H28 H 0.8518(3) 0.2106(3) 0.6888(2) 0.028(1) Uiso 1.00 1 c . . .
H29 H 0.7541(3) 0.1170(3) 0.5686(2) 0.030(1) Uiso 1.00 1 c . . .
H30 H 0.5847(3) 0.0895(2) 0.5593(2) 0.022(1) Uiso 1.00 1 c . . .
H31 H 1.1083(3) 0.8621(2) 0.7609(2) 0.024(1) Uiso 1.00 1 c . . .
H32 H 1.0902(3) 0.9853(2) 0.7177(2) 0.029(1) Uiso 1.00 1 c . . .
H33 H 0.9398(3) 1.0182(2) 0.7121(2) 0.030(1) Uiso 1.00 1 c . . .
H34 H 0.8029(3) 0.9245(3) 0.7455(2) 0.033(1) Uiso 1.00 1 c . . .
H35 H 0.8193(3) 0.7997(2) 0.7874(2) 0.024(1) Uiso 1.00 1 c . . .
H36 H 1.1197(3) 0.6435(2) 0.8608(2) 0.020(1) Uiso 1.00 1 c . . .
H37 H 1.2031(3) 0.5460(2) 0.7837(2) 0.024(1) Uiso 1.00 1 c . . .
H38 H 1.1842(3) 0.5108(2) 0.6415(2) 0.029(1) Uiso 1.00 1 c . . .
H39 H 1.0874(3) 0.5774(3) 0.5756(2) 0.031(1) Uiso 1.00 1 c . . .
H40 H 1.0064(3) 0.6776(2) 0.6519(2) 0.026(1) Uiso 1.00 1 c . . .
H41 H 0.9250(3) 0.7270(2) 0.9818(2) 0.023(1) Uiso 1.00 1 c . . .
H42 H 1.0053(3) 0.7958(3) 1.1144(2) 0.029(1) Uiso 1.00 1 c . . .
H43 H 1.1644(3) 0.8876(2) 1.1348(2) 0.027(1) Uiso 1.00 1 c . . .
H44 H 1.2452(3) 0.9119(2) 1.0234(2) 0.026(1) Uiso 1.00 1 c . . .
H45 H 1.1642(3) 0.8466(2) 0.8914(2) 0.024(1) Uiso 1.00 1 c . . .
H46 H 0.8103(3) 0.6602(3) 0.6627(2) 0.026(1) Uiso 1.00 1 c . . .
H47 H 0.7588(3) 0.6183(3) 0.5219(2) 0.039(2) Uiso 1.00 1 c . . .
H48 H 0.6988(3) 0.4661(3) 0.4514(2) 0.042(2) Uiso 1.00 1 c . . .
H49 H 0.6984(3) 0.3564(3) 0.5176(2) 0.035(1) Uiso 1.00 1 c . . .
H50 H 0.7532(3) 0.3972(3) 0.6581(2) 0.026(1) Uiso 1.00 1 c . . .
H51 H 0.6285(2) 0.4334(2) 0.7396(2) 0.020(1) Uiso 1.00 1 c . . .
H52 H 0.4776(2) 0.4148(2) 0.7913(2) 0.020(1) Uiso 1.00 1 c . . .
H53 H 0.4556(3) 0.5215(2) 0.9068(2) 0.023(1) Uiso 1.00 1 c . . .
H54 H 0.5830(3) 0.6484(2) 0.9698(2) 0.025(1) Uiso 1.00 1 c . . .
H55 H 0.7326(3) 0.6714(2) 0.9157(2) 0.020(1) Uiso 1.00 1 c . . .
H56 H 0.8235(3) 0.5110(2) 0.9273(2) 0.020(1) Uiso 1.00 1 c . . .
H57 H 0.9145(3) 0.4259(3) 0.9744(2) 0.030(1) Uiso 1.00 1 c . . .
H58 H 1.0186(3) 0.3594(3) 0.8913(3) 0.034(2) Uiso 1.00 1 c . . .
H59 H 1.0277(3) 0.3726(2) 0.7591(3) 0.031(1) Uiso 1.00 1 c . . .
H60 H 0.9362(2) 0.4566(2) 0.7102(2) 0.021(1) Uiso 1.00 1 c . . .
H61 H 0.4906(3) 0.5941(3) 0.7469(2) 0.033(1) Uiso 1.00 1 c . . .
H62 H 0.3980(3) 0.5314(3) 0.6900(2) 0.033(1) Uiso 1.00 1 c . . .
H63 H 0.9200(3) 0.6734(3) 0.4262(3) 0.040(1) Uiso 1.00 1 c . . .
H64 H 0.9883(3) 0.7611(3) 0.4169(3) 0.040(1) Uiso 1.00 1 c . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.017 0.010
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -2.013 8.802
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Cl Cl 0.174 0.200
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P4 . Pt1 . P5 . 98.38(3) yes
P4 . Pt1 . O1 . 171.34(6) yes
P5 . Pt1 . O1 . 88.65(7) yes
P4 . Pt1 . O2 . 84.59(6) yes
P5 . Pt1 . O2 . 176.43(6) yes
O1 . Pt1 . O2 . 88.22(9) yes
O1 . P1 . O4 . 117.82(14) yes
O1 . P1 . O5 . 107.14(12) yes
O4 . P1 . O5 . 110.03(13) yes
O1 . P1 . O9 . 109.84(12) yes
O4 . P1 . O9 . 109.80(13) yes
O5 . P1 . O9 . 100.84(12) yes
O2 . P2 . O5 . 106.58(12) yes
O2 . P2 . O6 . 117.81(14) yes
O5 . P2 . O6 . 110.20(13) yes
O2 . P2 . O7 . 109.42(12) yes
O5 . P2 . O7 . 101.32(12) yes
O6 . P2 . O7 . 110.19(13) yes
O3 . P3 . O7 . 109.06(13) yes
O3 . P3 . O8 . 123.00(14) yes
O7 . P3 . O8 . 107.22(14) yes
O3 . P3 . O9 . 108.67(13) yes
O7 . P3 . O9 . 99.35(12) yes
O8 . P3 . O9 . 106.99(13) yes
Pt1 . P4 . C1 . 109.3(1) yes
Pt1 . P4 . C7 . 122.4(1) yes
C1 . P4 . C7 . 103.32(14) yes
Pt1 . P4 . C13 . 110.2(1) yes
C1 . P4 . C13 . 107.19(14) yes
C7 . P4 . C13 . 103.42(14) yes
Pt1 . P5 . C19 . 112.76(11) yes
Pt1 . P5 . C25 . 110.68(11) yes
C19 . P5 . C25 . 105.59(15) yes
Pt1 . P5 . C31 . 115.99(11) yes
C19 . P5 . C31 . 108.68(15) yes
C25 . P5 . C31 . 102.16(15) yes
N1 . P6 . C37 . 107.71(15) yes
N1 . P6 . C43 . 114.88(15) yes
C37 . P6 . C43 . 109.29(15) yes
N1 . P6 . C49 . 110.49(15) yes
C37 . P6 . C49 . 107.26(15) yes
C43 . P6 . C49 . 106.97(15) yes
N1 . P7 . C55 . 113.93(15) yes
N1 . P7 . C61 . 106.59(15) yes
C55 . P7 . C61 . 106.34(15) yes
N1 . P7 . C72 . 113.26(14) yes
C55 . P7 . C72 . 108.57(16) yes
C61 . P7 . C72 . 107.74(14) yes
Pt1 . O1 . P1 . 132.09(13) yes
Pt1 . O2 . P2 . 128.80(13) yes
P1 . O5 . P2 . 121.87(14) yes
P2 . O7 . P3 . 130.76(15) yes
P1 . O9 . P3 . 127.33(14) yes
P6 . N1 . P7 . 135.67(19) yes
P4 . C1 . C2 . 118.0(2) yes
P4 . C1 . C6 . 122.2(2) yes
C2 . C1 . C6 . 119.7(3) yes
C1 . C2 . C3 . 119.8(3) yes
C2 . C3 . C4 . 120.3(3) yes
C3 . C4 . C5 . 119.6(3) yes
C4 . C5 . C6 . 120.6(3) yes
C1 . C6 . C5 . 120.0(3) yes
P4 . C7 . C8 . 119.8(3) yes
P4 . C7 . C12 . 120.7(2) yes
C8 . C7 . C12 . 119.5(3) yes
C7 . C8 . C9 . 120.0(3) yes
C8 . C9 . C10 . 120.4(3) yes
C9 . C10 . C11 . 119.4(3) yes
C10 . C11 . C12 . 120.4(4) yes
C7 . C12 . C11 . 120.4(3) yes
P4 . C13 . C14 . 118.7(2) yes
P4 . C13 . C18 . 122.8(2) yes
C14 . C13 . C18 . 118.6(3) yes
C13 . C14 . C15 . 121.2(3) yes
C14 . C15 . C16 . 119.2(3) yes
C15 . C16 . C17 . 120.5(3) yes
C16 . C17 . C18 . 120.5(3) yes
C13 . C18 . C17 . 119.9(3) yes
P5 . C19 . C20 . 116.6(2) yes
P5 . C19 . C24 . 123.9(3) yes
C20 . C19 . C24 . 119.5(3) yes
C19 . C20 . C21 . 119.9(3) yes
C20 . C21 . C22 . 120.3(3) yes
C21 . C22 . C23 . 120.2(3) yes
C22 . C23 . C24 . 120.0(3) yes
C19 . C24 . C23 . 120.1(3) yes
P5 . C25 . C26 . 118.1(3) yes
P5 . C25 . C30 . 122.4(3) yes
C26 . C25 . C30 . 119.4(3) yes
C25 . C26 . C27 . 120.6(3) yes
C26 . C27 . C28 . 119.6(3) yes
C27 . C28 . C29 . 120.2(3) yes
C28 . C29 . C30 . 120.5(4) yes
C25 . C30 . C29 . 119.8(3) yes
P5 . C31 . C32 . 121.2(3) yes
P5 . C31 . C36 . 120.3(2) yes
C32 . C31 . C36 . 118.5(3) yes
C31 . C32 . C33 . 120.6(3) yes
C32 . C33 . C34 . 120.5(3) yes
C33 . C34 . C35 . 119.3(3) yes
C34 . C35 . C36 . 120.4(3) yes
C31 . C36 . C35 . 120.5(3) yes
P6 . C37 . C38 . 121.6(3) yes
P6 . C37 . C42 . 118.3(2) yes
C38 . C37 . C42 . 119.9(3) yes
C37 . C38 . C39 . 119.3(3) yes
C38 . C39 . C40 . 120.9(3) yes
C39 . C40 . C41 . 119.8(3) yes
C40 . C41 . C42 . 119.9(4) yes
C37 . C42 . C41 . 120.1(3) yes
P6 . C43 . C44 . 119.8(3) yes
P6 . C43 . C48 . 119.8(3) yes
C44 . C43 . C48 . 119.7(3) yes
C43 . C44 . C45 . 120.0(3) yes
C44 . C45 . C46 . 120.3(3) yes
C45 . C46 . C47 . 119.8(3) yes
C46 . C47 . C48 . 120.6(3) yes
C43 . C48 . C47 . 119.6(3) yes
P6 . C49 . C50 . 121.2(3) yes
P6 . C49 . C54 . 119.4(2) yes
C50 . C49 . C54 . 119.3(3) yes
C49 . C50 . C51 . 119.9(3) yes
C50 . C51 . C52 . 120.2(3) yes
C51 . C52 . C53 . 120.7(3) yes
C52 . C53 . C54 . 119.2(3) yes
C49 . C54 . C53 . 120.6(3) yes
P7 . C55 . C56 . 118.9(3) yes
P7 . C55 . C60 . 120.8(3) yes
C56 . C55 . C60 . 119.9(3) yes
C55 . C56 . C57 . 120.4(4) yes
C56 . C57 . C58 . 119.2(4) yes
C57 . C58 . C59 . 120.8(4) yes
C58 . C59 . C60 . 120.5(4) yes
C55 . C60 . C59 . 119.1(4) yes
P7 . C61 . C62 . 119.8(2) yes
P7 . C61 . C66 . 120.3(2) yes
C62 . C61 . C66 . 119.9(3) yes
C61 . C62 . C63 . 119.8(3) yes
C62 . C63 . C64 . 120.1(3) yes
C63 . C64 . C65 . 120.3(3) yes
C64 . C65 . C66 . 120.3(3) yes
C61 . C66 . C65 . 119.5(3) yes
C68 . C67 . C72 . 119.0(3) yes
C67 . C68 . C69 . 120.6(3) yes
C68 . C69 . C70 . 120.4(3) yes
C69 . C70 . C71 . 119.9(4) yes
C70 . C71 . C72 . 120.0(3) yes
P7 . C72 . C67 . 118.0(3) yes
P7 . C72 . C71 . 121.5(2) yes
C67 . C72 . C71 . 120.1(3) yes
Cl1 . C73 . Cl2 . 111.7(2) yes
Cl3 . C74 . Cl4 . 112.0(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt1 . P4 . 2.2361(8) yes
Pt1 . P5 . 2.2322(8) yes
Pt1 . O1 . 2.076(2) yes
Pt1 . O2 . 2.091(2) yes
Cl1 . C73 . 1.770(4) yes
Cl2 . C73 . 1.762(4) yes
Cl3 . C74 . 1.765(4) yes
Cl4 . C74 . 1.763(4) yes
Cl5 . C75 . 1.722(8) yes
P1 . O1 . 1.513(2) yes
P1 . O4 . 1.468(2) yes
P1 . O5 . 1.615(2) yes
P1 . O9 . 1.592(2) yes
P2 . O2 . 1.522(2) yes
P2 . O5 . 1.625(2) yes
P2 . O6 . 1.462(2) yes
P2 . O7 . 1.594(2) yes
P3 . O3 . 1.476(2) yes
P3 . O7 . 1.633(2) yes
P3 . O8 . 1.467(2) yes
P3 . O9 . 1.634(2) yes
P4 . C1 . 1.824(3) yes
P4 . C7 . 1.827(3) yes
P4 . C13 . 1.815(3) yes
P5 . C19 . 1.820(3) yes
P5 . C25 . 1.824(3) yes
P5 . C31 . 1.811(3) yes
P6 . N1 . 1.582(3) yes
P6 . C37 . 1.804(3) yes
P6 . C43 . 1.795(3) yes
P6 . C49 . 1.802(3) yes
P7 . N1 . 1.586(3) yes
P7 . C55 . 1.801(3) yes
P7 . C61 . 1.792(3) yes
P7 . C72 . 1.796(3) yes
C1 . C2 . 1.396(4) yes
C1 . C6 . 1.388(4) yes
C2 . C3 . 1.394(5) yes
C3 . C4 . 1.386(5) yes
C4 . C5 . 1.387(5) yes
C5 . C6 . 1.387(5) yes
C7 . C8 . 1.398(4) yes
C7 . C12 . 1.381(5) yes
C8 . C9 . 1.389(5) yes
C9 . C10 . 1.392(5) yes
C10 . C11 . 1.384(5) yes
C11 . C12 . 1.392(5) yes
C13 . C14 . 1.401(4) yes
C13 . C18 . 1.398(4) yes
C14 . C15 . 1.385(4) yes
C15 . C16 . 1.384(5) yes
C16 . C17 . 1.381(5) yes
C17 . C18 . 1.387(5) yes
C19 . C20 . 1.404(5) yes
C19 . C24 . 1.391(5) yes
C20 . C21 . 1.390(4) yes
C21 . C22 . 1.384(5) yes
C22 . C23 . 1.387(5) yes
C23 . C24 . 1.396(5) yes
C25 . C26 . 1.394(5) yes
C25 . C30 . 1.380(5) yes
C26 . C27 . 1.392(5) yes
C27 . C28 . 1.376(6) yes
C28 . C29 . 1.379(6) yes
C29 . C30 . 1.395(5) yes
C31 . C32 . 1.391(5) yes
C31 . C36 . 1.405(5) yes
C32 . C33 . 1.391(5) yes
C33 . C34 . 1.385(5) yes
C34 . C35 . 1.392(5) yes
C35 . C36 . 1.383(5) yes
C37 . C38 . 1.396(4) yes
C37 . C42 . 1.388(5) yes
C38 . C39 . 1.388(5) yes
C39 . C40 . 1.378(6) yes
C40 . C41 . 1.389(5) yes
C41 . C42 . 1.391(5) yes
C43 . C44 . 1.395(5) yes
C43 . C48 . 1.396(5) yes
C44 . C45 . 1.395(5) yes
C45 . C46 . 1.383(5) yes
C46 . C47 . 1.389(5) yes
C47 . C48 . 1.394(5) yes
C49 . C50 . 1.390(5) yes
C49 . C54 . 1.406(5) yes
C50 . C51 . 1.385(5) yes
C51 . C52 . 1.382(5) yes
C52 . C53 . 1.391(5) yes
C53 . C54 . 1.378(5) yes
C55 . C56 . 1.394(5) yes
C55 . C60 . 1.397(5) yes
C56 . C57 . 1.394(5) yes
C57 . C58 . 1.385(6) yes
C58 . C59 . 1.379(6) yes
C59 . C60 . 1.396(5) yes
C61 . C62 . 1.401(4) yes
C61 . C66 . 1.395(5) yes
C62 . C63 . 1.386(5) yes
C63 . C64 . 1.384(5) yes
C64 . C65 . 1.385(5) yes
C65 . C66 . 1.392(5) yes
C67 . C68 . 1.387(5) yes
C67 . C72 . 1.404(4) yes
C68 . C69 . 1.394(6) yes
C69 . C70 . 1.377(5) yes
C70 . C71 . 1.395(5) yes
C71 . C72 . 1.395(5) yes
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_site_symmetry_1
_geom_torsion_atom_site_label_2
_geom_torsion_site_symmetry_2
_geom_torsion_atom_site_label_3
_geom_torsion_site_symmetry_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
P5 . Pt1 . P4 . C1 . -136.7(2) yes
P5 . Pt1 . P4 . C7 . -15.9(2) yes
P5 . Pt1 . P4 . C13 . 105.8(2) yes
O1 . Pt1 . P4 . C1 . 79.3(2) yes
O1 . Pt1 . P4 . C7 . -160.0(2) yes
O1 . Pt1 . P4 . C13 . -38.3(2) yes
O2 . Pt1 . P4 . C1 . 45.3(3) yes
O2 . Pt1 . P4 . C7 . 166.1(3) yes
O2 . Pt1 . P4 . C13 . -72.2(3) yes
P4 . Pt1 . P5 . C19 . 58.8(2) yes
P4 . Pt1 . P5 . C25 . 176.8(2) yes
P4 . Pt1 . P5 . C31 . -67.4(2) yes
O1 . Pt1 . P5 . C19 . -126.3(3) yes
O1 . Pt1 . P5 . C25 . -8.2(3) yes
O1 . Pt1 . P5 . C31 . 107.5(3) yes
O2 . Pt1 . P5 . C19 . -155.1(4) yes
O2 . Pt1 . P5 . C25 . -37.1(4) yes
O2 . Pt1 . P5 . C31 . 78.7(4) yes
P4 . Pt1 . O1 . P1 . -61.6(1) yes
P5 . Pt1 . O1 . P1 . 154.0(4) yes
O2 . Pt1 . O1 . P1 . -27.8(4) yes
P4 . Pt1 . O2 . P2 . -153.3(3) yes
P5 . Pt1 . O2 . P2 . 60.3(3) yes
O1 . Pt1 . O2 . P2 . 31.5(4) yes
O4 . P1 . O1 . Pt1 . 166.6(3) yes
O5 . P1 . O1 . Pt1 . 42.0(4) yes
O9 . P1 . O1 . Pt1 . -66.7(4) yes
O1 . P1 . O5 . P2 . -58.0(4) yes
O4 . P1 . O5 . P2 . 172.8(3) yes
O9 . P1 . O5 . P2 . 56.9(4) yes
O1 . P1 . O9 . P3 . 58.8(4) yes
O4 . P1 . O9 . P3 . -170.2(3) yes
O5 . P1 . O9 . P3 . -54.1(4) yes
O5 . P2 . O2 . Pt1 . -49.4(4) yes
O6 . P2 . O2 . Pt1 . -173.8(2) yes
O7 . P2 . O2 . Pt1 . 59.4(4) yes
O2 . P2 . O5 . P1 . 62.2(4) yes
O6 . P2 . O5 . P1 . -168.9(3) yes
O7 . P2 . O5 . P1 . -52.2(4) yes
O2 . P2 . O7 . P3 . -68.1(4) yes
O5 . P2 . O7 . P3 . 44.1(4) yes
O6 . P2 . O7 . P3 . 160.8(3) yes
O3 . P3 . O7 . P2 . 74.4(4) yes
O8 . P3 . O7 . P2 . -150.4(3) yes
O9 . P3 . O7 . P2 . -39.2(4) yes
O3 . P3 . O9 . P1 . -69.6(4) yes
O7 . P3 . O9 . P1 . 44.3(4) yes
O8 . P3 . O9 . P1 . 155.7(3) yes
Pt1 . P4 . C1 . C2 . 38.2(5) yes
Pt1 . P4 . C1 . C6 . -143.8(4) yes
C7 . P4 . C1 . C2 . -93.6(5) yes
C7 . P4 . C1 . C6 . 84.4(6) yes
C13 . P4 . C1 . C2 . 157.6(5) yes
C13 . P4 . C1 . C6 . -24.4(6) yes
Pt1 . P4 . C7 . C8 . -93.1(4) yes
Pt1 . P4 . C7 . C12 . 87.9(5) yes
C1 . P4 . C7 . C8 . 30.5(6) yes
C1 . P4 . C7 . C12 . -148.6(5) yes
C13 . P4 . C7 . C8 . 142.1(5) yes
C13 . P4 . C7 . C12 . -36.9(6) yes
Pt1 . P4 . C13 . C14 . 9.5(5) yes
Pt1 . P4 . C13 . C18 . -170.3(4) yes
C1 . P4 . C13 . C14 . -109.4(5) yes
C1 . P4 . C13 . C18 . 70.9(6) yes
C7 . P4 . C13 . C14 . 141.9(5) yes
C7 . P4 . C13 . C18 . -37.9(6) yes
Pt1 . P5 . C19 . C20 . 45.5(5) yes
Pt1 . P5 . C19 . C24 . -136.1(4) yes
C25 . P5 . C19 . C20 . -75.5(6) yes
C25 . P5 . C19 . C24 . 103.0(6) yes
C31 . P5 . C19 . C20 . 175.6(4) yes
C31 . P5 . C19 . C24 . -6.0(7) yes
Pt1 . P5 . C25 . C26 . 73.5(5) yes
Pt1 . P5 . C25 . C30 . -101.4(5) yes
C19 . P5 . C25 . C26 . -164.2(5) yes
C19 . P5 . C25 . C30 . 20.9(7) yes
C31 . P5 . C25 . C26 . -50.6(6) yes
C31 . P5 . C25 . C30 . 134.5(5) yes
Pt1 . P5 . C31 . C32 . 4.1(5) yes
Pt1 . P5 . C31 . C36 . -173.4(4) yes
C19 . P5 . C31 . C32 . -124.2(5) yes
C19 . P5 . C31 . C36 . 58.3(6) yes
C25 . P5 . C31 . C32 . 124.5(5) yes
C25 . P5 . C31 . C36 . -52.9(6) yes
C37 . P6 . N1 . P7 . 123.3(5) yes
C43 . P6 . N1 . P7 . 1.3(7) yes
C49 . P6 . N1 . P7 . -119.8(5) yes
N1 . P6 . C37 . C38 . -169.1(5) yes
N1 . P6 . C37 . C42 . 15.2(6) yes
C43 . P6 . C37 . C38 . -43.7(7) yes
C43 . P6 . C37 . C42 . 140.6(5) yes
C49 . P6 . C37 . C38 . 71.9(6) yes
C49 . P6 . C37 . C42 . -103.7(5) yes
N1 . P6 . C43 . C44 . -91.3(6) yes
N1 . P6 . C43 . C48 . 79.1(6) yes
C37 . P6 . C43 . C44 . 147.5(5) yes
C37 . P6 . C43 . C48 . -42.0(6) yes
C49 . P6 . C43 . C44 . 31.7(6) yes
C49 . P6 . C43 . C48 . -157.9(5) yes
N1 . P6 . C49 . C50 . -0.5(7) yes
N1 . P6 . C49 . C54 . -178.9(5) yes
C37 . P6 . C49 . C50 . 116.6(5) yes
C37 . P6 . C49 . C54 . -61.8(6) yes
C43 . P6 . C49 . C50 . -126.2(5) yes
C43 . P6 . C49 . C54 . 55.4(6) yes
C55 . P7 . N1 . P6 . -69.3(6) yes
C61 . P7 . N1 . P6 . 173.8(4) yes
C72 . P7 . N1 . P6 . 55.5(6) yes
N1 . P7 . C55 . C56 . -20.1(7) yes
N1 . P7 . C55 . C60 . 167.1(5) yes
C61 . P7 . C55 . C56 . 97.0(6) yes
C61 . P7 . C55 . C60 . -75.8(6) yes
C72 . P7 . C55 . C56 . -147.3(5) yes
C72 . P7 . C55 . C60 . 39.9(7) yes
N1 . P7 . C61 . C62 . 164.0(4) yes
N1 . P7 . C61 . C66 . -17.3(6) yes
C55 . P7 . C61 . C62 . 42.1(6) yes
C55 . P7 . C61 . C66 . -139.2(5) yes
C72 . P7 . C61 . C62 . -74.1(6) yes
C72 . P7 . C61 . C66 . 104.5(5) yes
N1 . P7 . C72 . C67 . 76.7(6) yes
N1 . P7 . C72 . C71 . -96.2(6) yes
C55 . P7 . C72 . C67 . -155.7(5) yes
C55 . P7 . C72 . C71 . 31.4(7) yes
C61 . P7 . C72 . C67 . -41.0(6) yes
C61 . P7 . C72 . C71 . 146.2(5) yes
P4 . C1 . C2 . C3 . 178.4(3) yes
C6 . C1 . C2 . C3 . 0.4(7) yes
P4 . C1 . C6 . C5 . -178.2(3) yes
C2 . C1 . C6 . C5 . -0.3(7) yes
C1 . C2 . C3 . C4 . -0.3(7) yes
C2 . C3 . C4 . C5 . 0.2(7) yes
C3 . C4 . C5 . C6 . -0.1(8) yes
C4 . C5 . C6 . C1 . 0.2(7) yes
P4 . C7 . C8 . C9 . -178.6(3) yes
C12 . C7 . C8 . C9 . 0.5(7) yes
P4 . C7 . C12 . C11 . 178.8(3) yes
C8 . C7 . C12 . C11 . -0.3(7) yes
C7 . C8 . C9 . C10 . -0.5(7) yes
C8 . C9 . C10 . C11 . 0.3(8) yes
C9 . C10 . C11 . C12 . -0.1(8) yes
C10 . C11 . C12 . C7 . 0.1(8) yes
P4 . C13 . C14 . C15 . -178.2(3) yes
C18 . C13 . C14 . C15 . 1.5(7) yes
P4 . C13 . C18 . C17 . 179.6(3) yes
C14 . C13 . C18 . C17 . -0.2(7) yes
C13 . C14 . C15 . C16 . -0.9(7) yes
C14 . C15 . C16 . C17 . -1.1(7) yes
C15 . C16 . C17 . C18 . 2.5(7) yes
C16 . C17 . C18 . C13 . -1.8(7) yes
P5 . C19 . C20 . C21 . 177.3(3) yes
C24 . C19 . C20 . C21 . -1.2(7) yes
P5 . C19 . C24 . C23 . -178.3(3) yes
C20 . C19 . C24 . C23 . 0.1(7) yes
C19 . C20 . C21 . C22 . 1.2(7) yes
C20 . C21 . C22 . C23 . -0.2(7) yes
C21 . C22 . C23 . C24 . -0.9(7) yes
C22 . C23 . C24 . C19 . 1.0(7) yes
P5 . C25 . C26 . C27 . -175.4(4) yes
C30 . C25 . C26 . C27 . -0.3(8) yes
P5 . C25 . C30 . C29 . 175.7(4) yes
C26 . C25 . C30 . C29 . 0.8(8) yes
C25 . C26 . C27 . C28 . -0.1(8) yes
C26 . C27 . C28 . C29 . -0.1(8) yes
C27 . C28 . C29 . C30 . 0.6(9) yes
C28 . C29 . C30 . C25 . -0.9(9) yes
P5 . C31 . C32 . C33 . 179.2(3) yes
C36 . C31 . C32 . C33 . -3.2(7) yes
P5 . C31 . C36 . C35 . -178.5(3) yes
C32 . C31 . C36 . C35 . 3.9(7) yes
C31 . C32 . C33 . C34 . 0.2(7) yes
C32 . C33 . C34 . C35 . 2.3(8) yes
C33 . C34 . C35 . C36 . -1.6(8) yes
C34 . C35 . C36 . C31 . -1.6(8) yes
P6 . C37 . C38 . C39 . -174.8(3) yes
C42 . C37 . C38 . C39 . 0.8(7) yes
P6 . C37 . C42 . C41 . 174.4(3) yes
C38 . C37 . C42 . C41 . -1.3(8) yes
C37 . C38 . C39 . C40 . 0.6(7) yes
C38 . C39 . C40 . C41 . -1.4(8) yes
C39 . C40 . C41 . C42 . 0.8(8) yes
C40 . C41 . C42 . C37 . 0.5(8) yes
P6 . C43 . C44 . C45 . 169.9(3) yes
C48 . C43 . C44 . C45 . -0.5(7) yes
P6 . C43 . C48 . C47 . -169.4(3) yes
C44 . C43 . C48 . C47 . 1.0(7) yes
C43 . C44 . C45 . C46 . -0.8(7) yes
C44 . C45 . C46 . C47 . 1.4(8) yes
C45 . C46 . C47 . C48 . -0.9(8) yes
C46 . C47 . C48 . C43 . -0.3(8) yes
P6 . C49 . C50 . C51 . -178.7(3) yes
C54 . C49 . C50 . C51 . -0.3(7) yes
P6 . C49 . C54 . C53 . 179.5(3) yes
C50 . C49 . C54 . C53 . 1.1(8) yes
C49 . C50 . C51 . C52 . -0.4(8) yes
C50 . C51 . C52 . C53 . 0.4(8) yes
C51 . C52 . C53 . C54 . 0.4(8) yes
C52 . C53 . C54 . C49 . -1.1(8) yes
P7 . C55 . C56 . C57 . -172.4(4) yes
C60 . C55 . C56 . C57 . 0.5(8) yes
P7 . C55 . C60 . C59 . 171.1(4) yes
C56 . C55 . C60 . C59 . -1.6(8) yes
C55 . C56 . C57 . C58 . 1.3(8) yes
C56 . C57 . C58 . C59 . -2.1(8) yes
C57 . C58 . C59 . C60 . 1.0(9) yes
C58 . C59 . C60 . C55 . 0.9(8) yes
P7 . C61 . C62 . C63 . 178.7(3) yes
C66 . C61 . C62 . C63 . 0.0(7) yes
P7 . C61 . C66 . C65 . -177.4(3) yes
C62 . C61 . C66 . C65 . 1.2(7) yes
C61 . C62 . C63 . C64 . -0.9(7) yes
C62 . C63 . C64 . C65 . 0.7(7) yes
C63 . C64 . C65 . C66 . 0.6(7) yes
C64 . C65 . C66 . C61 . -1.5(7) yes
C72 . C67 . C68 . C69 . 0.8(7) yes
C68 . C67 . C72 . P7 . -172.9(4) yes
C68 . C67 . C72 . C71 . 0.0(7) yes
C67 . C68 . C69 . C70 . -1.3(8) yes
C68 . C69 . C70 . C71 . 1.1(8) yes
C69 . C70 . C71 . C72 . -0.3(8) yes
C70 . C71 . C72 . P7 . 172.4(4) yes
C70 . C71 . C72 . C67 . -0.3(7) yes
