#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/15/2001517.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2001517
loop_
_publ_author_name
'Suzuki, Y.'
'Miyamoto, T. K.'
'Ichida, H.'
_publ_contact_author
;
    Dr. Miyamoto, T. Ken
    Department of Chemistry
    Faculty of Science
    The University of Tokyo
    Tokyo  113
    Japan
;
_publ_section_title
;(1,1-Cyclobutanedicarboxylato-O,O')bis(trimethylphosphine-P)platinum(II)
 monohydrate
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1315
_journal_page_last               1317
_journal_paper_doi               10.1107/S0108270192013489
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C12 H24 O4 P2 Pt, H2 O'
_chemical_formula_structural     '[Pt(C6 H6 O4)(P(C H3)3)2] (H2 O)'
_chemical_formula_sum            'C12 H26 O5 P2 Pt'
_chemical_formula_weight         507.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_type_scat_source
;
International Tables for X-ray Crystallography (1974, Vol. IV)
;
_cell_angle_alpha                92.43(2)
_cell_angle_beta                 115.300(10)
_cell_angle_gamma                110.130(10)
_cell_formula_units_Z            2
_cell_length_a                   9.752(2)
_cell_length_b                   11.680(2)
_cell_length_c                   9.203(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      20.0
_cell_measurement_theta_min      19.9
_cell_volume                     867.4(3)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_source         '12kW rotating anode generator'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6611
_diffrn_reflns_theta_max         32.6
_diffrn_standards_decay_%        19.40
_diffrn_standards_interval_count 147
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.367
_exptl_absorpt_correction_T_max  1.42
_exptl_absorpt_correction_T_min  .79
_exptl_absorpt_correction_type
;
 empirical correction with DIFABS (Walker & Stuart, 1983)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.943
_exptl_crystal_density_meas      1.93
_exptl_crystal_density_method
;
Density was measured by a flotation in a 1, 2-dibromoethane/hexane mixture.
;
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          .30
_exptl_crystal_size_mid          .25
_exptl_crystal_size_min          .20
_refine_diff_density_max         2.84
_refine_diff_density_min         -2.27
_refine_ls_goodness_of_fit_obs   1.57
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     182
_refine_ls_number_reflns         5068
_refine_ls_R_factor_obs          .041
_refine_ls_shift/esd_max         .01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/σ²(Fₒ)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         .044
_reflns_number_observed          5068
_reflns_number_total             6293
_reflns_observed_criterion       refl_observed_if_F_>_3.0_sigma(F)
_cod_data_source_file            as1035.cif
_cod_data_source_block           default
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/\s^2^(F~o~)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F~o~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        867.3(3)
_cod_database_code               2001517
loop_
_symmetry_equiv_pos_as_xyz
+X,+Y,+Z
-X,-Y,-Z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Pt 0.07786(3) 0.20086(2) 0.04675(3) 0.02349(9)
P(1) -0.1070(2) 0.22510(10) -0.1835(2) 0.0317(5)
P(2) -0.0812(2) 0.1613(2) 0.1686(2) 0.0319(5)
O(1) 0.2380(6) 0.2243(5) -0.0501(6) 0.0420(10)
O(2) 0.2608(5) 0.1887(4) 0.2583(6) 0.0380(10)
O(3) 0.4927(6) 0.2755(5) -0.0129(7) 0.051(3)
O(4) 0.5207(6) 0.2579(5) 0.4497(6) 0.052(3)
O(5) 0.3778(8) 0.1232(6) 0.6673(8) 0.066(3)
C(1) 0.3971(8) 0.2790(6) 0.0394(8) 0.032(3)
C(2) 0.4154(7) 0.2606(5) 0.3171(8) 0.030(3)
C(3) 0.4639(7) 0.3504(5) 0.2134(8) 0.029(3)
C(4) 0.4150(10) 0.4646(6) 0.2220(10) 0.041(3)
C(5) 0.5980(10) 0.5482(7) 0.3320(10) 0.058(4)
C(6) 0.6477(8) 0.4433(6) 0.3010(10) 0.044(3)
C(7) -0.1987(9) 0.3297(6) -0.1558(9) 0.042(3)
C(8) -0.2770(10) 0.0866(7) -0.3290(10) 0.058(3)
C(9) -0.0090(10) 0.2990(10) -0.3010(10) 0.080(5)
C(10) -0.0200(10) 0.0759(8) 0.3260(10) 0.048(3)
C(11) -0.2993(9) 0.0681(9) 0.0480(10) 0.061(4)
C(12) -0.0660(10) 0.3030(10) 0.2750(10) 0.065(4)
H(1) 0.3665 0.4859 0.1186 0.0495
H(2) 0.3469 0.4570 0.2733 0.0495
H(3) 0.6386 0.6197 0.2932 0.0704
H(4) 0.6261 0.5734 0.4444 0.0704
H(5) 0.7151 0.4238 0.3980 0.0528
H(6) 0.6982 0.4559 0.2310 0.0528
H(7) -0.1142 0.4108 -0.0988 0.0500
H(8) -0.2753 0.3338 -0.2605 0.0500
H(9) -0.2546 0.2994 -0.0935 0.0500
H(10) -0.3372 0.0412 -0.2763 0.0692
H(11) -0.3484 0.1096 -0.4192 0.0692
H(12) -0.2362 0.0359 -0.3668 0.0692
H(13) 0.0448 0.2509 -0.3230 0.0976
H(14) -0.0892 0.3041 -0.4022 0.0976
H(15) 0.0715 0.3807 -0.2400 0.0976
H(16) -0.0788 0.0718 0.3869 0.0584
H(17) -0.0448 -0.0065 0.2760 0.0584
H(18) 0.0955 0.1171 0.3980 0.0584
H(19) -0.3515 0.0633 0.1152 0.0734
H(20) -0.3456 0.1053 -0.0405 0.0734
H(21) -0.3161 -0.0137 0.0042 0.0734
H(22) 0.0454 0.3486 0.3586 0.0781
H(23) -0.0968 0.3532 0.1985 0.0781
H(24) -0.1370 0.2821 0.3234 0.0781
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P(1) Pt P(2) . . . 95.13(6) yes
Pt O(1) C(1) . . . 122.5(4) yes
P(1) Pt O(1) . . . 90.90(10) yes
Pt O(2) C(2) . . . 123.2(4) yes
P(1) Pt O(2) . . . 176.10(10) yes
O(1) C(1) O(3) . . . 122.1(6) yes
P(2) Pt O(1) . . . 173.10(10) yes
O(1) C(1) C(3) . . . 117.7(5) yes
P(2) Pt O(2) . . . 87.90(10) yes
O(3) C(1) C(3) . . . 120.3(6) yes
O(1) Pt O(2) . . . 86.3(2) yes
O(2) C(2) O(4) . . . 121.9(6) yes
Pt P(1) C(7) . . . 115.8(2) yes
O(2) C(2) C(3) . . . 117.3(5) yes
Pt P(1) C(8) . . . 117.7(3) yes
O(4) C(2) C(3) . . . 120.7(6) yes
Pt P(1) C(9) . . . 110.0(3) yes
C(1) C(3) C(2) . . . 110.4(5) yes
C(7) P(1) C(8) . . . 105.6(3) yes
C(1) C(3) C(4) . . . 114.0(5) yes
C(7) P(1) C(9) . . . 102.3(5) yes
C(1) C(3) C(6) . . . 116.5(5) yes
C(8) P(1) C(9) . . . 103.6(5) yes
C(2) C(3) C(4) . . . 111.8(5) yes
Pt P(2) C(10) . . . 111.6(3) yes
C(2) C(3) C(6) . . . 114.1(5) yes
Pt P(2) C(11) . . . 119.2(3) yes
C(4) C(3) C(6) . . . 88.5(5) yes
Pt P(2) C(12) . . . 112.2(3) yes
C(3) C(4) C(5) . . . 88.9(5) yes
C(10) P(2) C(11) . . . 102.1(4) yes
C(4) C(5) C(6) . . . 91.0(5) yes
C(10) P(2) C(12) . . . 104.9(4) yes
C(3) C(6) C(5) . . . 90.2(5) yes
C(11) P(2) C(12) . . . 105.4(5) yes
C(3) C(4) H(1) . . . 114.33 no
H(11) C(8) H(12) . . . 109.50 no
C(3) C(4) H(2) . . . 114.33 no
P(1) C(9) H(13) . . . 109.55 no
C(5) C(4) H(1) . . . 114.40 no
P(1) C(9) H(14) . . . 109.61 no
C(5) C(4) H(2) . . . 114.35 no
P(1) C(9) H(15) . . . 109.52 no
H(1) C(4) H(2) . . . 109.41 no
H(13) C(9) H(14) . . . 109.44 no
C(4) C(5) H(3) . . . 113.89 no
H(13) C(9) H(15) . . . 109.31 no
C(4) C(5) H(4) . . . 113.93 no
H(14) C(9) H(15) . . . 109.39 no
C(6) C(5) H(3) . . . 113.89 no
P(2) C(10) H(16) . . . 109.47 no
C(6) C(5) H(4) . . . 113.88 no
P(2) C(10) H(17) . . . 109.47 no
H(3) C(5) H(4) . . . 109.38 no
P(2) C(10) H(18) . . . 109.52 no
C(3) C(6) H(5) . . . 114.09 no
H(16) C(10) H(17) . . . 109.40 no
C(3) C(6) H(6) . . . 114.06 no
H(16) C(10) H(18) . . . 109.48 no
C(5) C(6) H(5) . . . 114.09 no
H(17) C(10) H(18) . . . 109.49 no
C(5) C(6) H(6) . . . 114.06 no
P(2) C(11) H(19) . . . 109.45 no
H(5) C(6) H(6) . . . 109.40 no
P(2) C(11) H(20) . . . 109.49 no
P(1) C(7) H(7) . . . 109.46 no
P(2) C(11) H(21) . . . 109.45 no
P(1) C(7) H(8) . . . 109.45 no
H(19) C(11) H(20) . . . 109.49 no
P(1) C(7) H(9) . . . 109.48 no
H(19) C(11) H(21) . . . 109.44 no
H(7) C(7) H(8) . . . 109.46 no
H(20) C(11) H(21) . . . 109.50 no
H(7) C(7) H(9) . . . 109.49 no
P(2) C(12) H(22) . . . 109.48 no
H(8) C(7) H(9) . . . 109.48 no
P(2) C(12) H(23) . . . 109.51 no
P(1) C(8) H(10) . . . 109.44 no
P(2) C(12) H(24) . . . 109.45 no
P(1) C(8) H(11) . . . 109.43 no
H(22) C(12) H(23) . . . 109.50 no
P(1) C(8) H(12) . . . 109.43 no
H(22) C(12) H(24) . . . 109.42 no
H(10) C(8) H(11) . . . 109.52 no
H(23) C(12) H(24) . . . 109.47 no
H(10) C(8) H(12) . . . 109.52 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Pt P(1) . . 2.227(2) yes
Pt P(2) . . 2.216(2) yes
Pt O(1) . . 2.056(5) yes
Pt O(2) . . 2.055(4) yes
P(1) C(7) . . 1.810(7) yes
P(1) C(8) . . 1.798(7) yes
P(1) C(9) . . 1.798(9) yes
P(2) C(10) . . 1.801(7) yes
P(2) C(11) . . 1.797(8) yes
P(2) C(12) . . 1.813(9) yes
O(1) C(1) . . 1.294(8) yes
O(2) C(2) . . 1.290(7) yes
O(3) C(1) . . 1.229(8) yes
O(4) C(2) . . 1.224(7) yes
C(1) C(3) . . 1.518(9) yes
C(2) C(3) . . 1.537(9) yes
C(3) C(4) . . 1.573(8) yes
C(3) C(6) . . 1.547(9) yes
C(4) C(5) . . 1.530(10) yes
C(5) C(6) . . 1.520(10) yes
C(4) H(1) . . 0.951 no
C(9) H(13) . . 0.951 no
C(4) H(2) . . 0.951 no
C(9) H(14) . . 0.950 no
C(5) H(3) . . 0.951 no
C(9) H(15) . . 0.951 no
C(5) H(4) . . 0.950 no
C(10) H(16) . . 0.950 no
C(6) H(5) . . 0.950 no
C(10) H(17) . . 0.950 no
C(6) H(6) . . 0.951 no
C(10) H(18) . . 0.950 no
C(7) H(7) . . 0.950 no
C(11) H(19) . . 0.950 no
C(7) H(8) . . 0.950 no
C(11) H(20) . . 0.950 no
C(7) H(9) . . 0.950 no
C(11) H(21) . . 0.950 no
C(8) H(10) . . 0.950 no
C(12) H(22) . . 0.950 no
C(8) H(11) . . 0.950 no
C(12) H(23) . . 0.950 no
C(8) H(12) . . 0.950 no
C(12) H(24) . . 0.951 no
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(10) 3.570(10) . 2 no
O(4) C(8) 3.415(9) . 1_656 no
O(2) C(8) 3.351(9) . 2 no
O(5) C(8) 3.430(10) . 2 no
O(3) O(5) 2.907(8) . 1_554 yes
O(5) C(10) 3.490(10) . 2_556 no
O(3) C(11) 3.580(10) . 1_655 no
O(5) C(8) 3.520(10) . 1_656 no
O(4) O(5) 3.093(9) . . yes
O(5) C(7) 3.550(10) . 1_656 no
O(4) C(7) 3.323(8) . 1_656 no
C(11) C(11) 3.360(10) . 2_455 no
Pt H(17) 3.491 . 2 no
O(5) H(16) 2.834 . 2_556 no
P(1) H(17) 3.596 . 2 no
O(5) H(20) 2.964 . 1_656 no
O(1) H(17) 2.692 . 2 no
O(5) H(19) 3.040 . 2_556 no
O(1) H(21) 2.813 . 2 no
O(5) H(3) 3.077 . 2_666 no
O(1) H(3) 3.303 . 2_665 no
O(5) H(10) 3.090 . 1_656 no
O(2) H(12) 2.816 . 2 no
O(5) H(9) 3.119 . 1_656 no
O(2) H(10) 3.018 . 2 no
O(5) H(11) 3.143 . 1_656 no
O(2) H(4) 3.330 . 2_666 no
O(5) H(8) 3.185 . 1_656 no
O(2) H(21) 3.430 . 2 no
O(5) H(11) 3.326 . 2 no
O(3) H(9) 2.795 . 1_655 no
O(5) H(17) 3.338 . 2_556 no
O(3) H(3) 2.883 . 2_665 no
O(5) H(21) 3.534 . 2_556 no
O(3) H(21) 2.972 . 2 no
C(1) H(21) 2.886 . 2 no
O(3) H(20) 2.994 . 1_655 no
C(1) H(3) 3.251 . 2_665 no
O(3) H(1) 3.055 . 2_665 no
C(2) H(4) 3.112 . 2_666 no
O(3) H(19) 3.340 . 1_655 no
C(2) H(10) 3.308 . 2 no
O(3) H(23) 3.366 . 1_655 no
C(2) H(12) 3.451 . 2 no
O(3) H(24) 3.587 . 1_655 no
C(2) H(11) 3.561 . 1_656 no
O(4) H(8) 2.431 . 1_656 no
C(2) H(8) 3.586 . 1_656 no
O(4) H(11) 2.542 . 1_656 no
C(2) H(21) 3.593 . 2 no
O(4) H(4) 3.140 . 2_666 no
C(4) H(8) 3.173 . 2_565 no
O(4) H(14) 3.273 . 1_656 no
C(4) H(4) 3.293 . 2_666 no
O(4) H(10) 3.276 . 2 no
C(4) H(7) 3.497 . 2_565 no
O(4) H(12) 3.386 . 2 no
C(5) H(22) 3.163 . 2_666 no
O(4) H(2) 3.573 . 2_666 no
C(5) H(2) 3.442 . 2_666 no
O(5) H(12) 2.746 . 2 no
C(5) H(13) 3.505 . 2_665 no
O(5) H(18) 2.783 . 1 no
C(5) H(15) 3.513 . 2_665 no
C(6) H(15) 3.093 . 2_665 no
H(1) H(7) 3.036 . 2_565 no
C(6) H(24) 3.221 . 1_655 no
H(1) H(9) 3.041 . 2_565 no
C(6) H(22) 3.320 . 2_666 no
H(1) H(6) 3.155 . 2_665 no
C(6) H(23) 3.453 . 1_655 no
H(2) H(4) 2.551 . 2_666 no
C(7) H(1) 3.205 . 2_565 no
H(2) H(8) 2.756 . 2_565 no
C(7) H(2) 3.291 . 2_565 no
H(2) H(7) 3.101 . 2_565 no
C(7) H(7) 3.303 . 2_565 no
H(2) H(9) 3.540 . 2_565 no
C(8) H(11) 3.242 . 2_454 no
H(3) H(13) 2.815 . 2_665 no
C(8) H(17) 3.426 . 2 no
H(3) H(15) 3.069 . 2_665 no
C(8) H(18) 3.599 . 2 no
H(3) H(22) 3.253 . 2_666 no
C(9) H(24) 3.102 . 1_554 no
H(3) H(18) 3.425 . 2_666 no
C(9) H(6) 3.161 . 2_665 no
H(4) H(22) 2.696 . 2_666 no
C(9) H(3) 3.366 . 2_665 no
H(4) H(4) 3.072 . 2_666 no
C(9) H(22) 3.432 . 1_554 no
H(4) H(18) 3.461 . 2_666 no
C(9) H(16) 3.488 . 1_554 no
H(5) H(24) 2.772 . 1_655 no
C(10) H(12) 3.093 . 2 no
H(5) H(14) 2.834 . 1_656 no
C(10) H(16) 3.200 . 2_556 no
H(5) H(22) 2.879 . 2_666 no
C(10) H(13) 3.439 . 1_556 no
H(5) H(8) 3.330 . 1_656 no
C(11) H(19) 2.836 . 2_455 no
H(5) H(23) 3.348 . 1_655 no
C(11) H(20) 3.327 . 2_455 no
H(5) H(15) 3.355 . 2_665 no
C(11) H(21) 3.391 . 2_455 no
H(6) H(15) 2.360 . 2_665 no
C(12) H(14) 3.077 . 1_556 no
H(6) H(23) 2.767 . 1_655 no
C(12) H(6) 3.278 . 1_455 no
H(6) H(24) 2.941 . 1_655 no
C(12) H(5) 3.444 . 1_455 no
H(6) H(13) 3.280 . 2_665 no
C(12) H(13) 3.531 . 1_556 no
H(6) H(14) 3.466 . 2_665 no
H(1) H(8) 2.996 . 2_565 no
H(7) H(7) 2.373 . 2_565 no
H(7) H(23) 3.256 . 2_565 no
H(20) H(20) 3.557 . 2_455 no
H(10) H(11) 2.979 . 2_454 no
H(11) H(11) 2.867 . 2_454 no
H(11) H(12) 3.367 . 2_454 no
H(12) H(17) 2.653 . 2 no
H(12) H(18) 2.671 . 2 no
H(12) H(16) 3.207 . 1_554 no
H(13) H(16) 2.828 . 1_554 no
H(13) H(17) 2.906 . 2 no
H(13) H(24) 3.079 . 1_554 no
H(13) H(22) 3.192 . 1_554 no
H(13) H(18) 3.250 . 1_554 no
H(14) H(24) 2.348 . 1_554 no
H(14) H(22) 2.989 . 1_554 no
H(14) H(16) 3.324 . 1_554 no
H(15) H(23) 3.027 . 2_565 no
H(15) H(24) 3.552 . 1_554 no
H(15) H(22) 3.587 . 1_554 no
H(16) H(16) 2.973 . 2_556 no
H(16) H(18) 3.035 . 2_556 no
H(16) H(17) 3.049 . 2_556 no
H(17) H(18) 3.475 . 2_556 no
H(19) H(19) 2.570 . 2_455 no
H(19) H(20) 2.687 . 2_455 no
H(19) H(21) 2.767 . 2_455 no
H(20) H(21) 3.268 . 2_455 no
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Pt O(1) C(1) O(3) . . . . 168.3(5) yes
O(2) Pt P(1) C(7) . . . . -89(2) yes
Pt O(1) C(1) C(3) . . . . -12.5(7) yes
O(2) Pt P(1) C(8) . . . . 144(2) yes
Pt O(2) C(2) O(4) . . . . 174.5(5) yes
O(2) Pt P(1) C(9) . . . . 26(2) yes
Pt O(2) C(2) C(3) . . . . -5.9(8) yes
O(2) Pt P(2) C(10) . . . . -25.3(3) yes
P(1) Pt P(2) C(10) . . . . 157.2(3) yes
O(2) Pt P(2) C(11) . . . . -144.1(4) yes
P(1) Pt P(2) C(11) . . . . 38.4(4) yes
O(2) Pt P(2) C(12) . . . . 92.1(4) yes
P(1) Pt P(2) C(12) . . . . -85.4(4) yes
O(2) Pt O(1) C(1) . . . . -31.6(5) yes
P(1) Pt O(1) C(1) . . . . 145.6(5) yes
O(2) C(2) C(3) C(1) . . . . -53.0(7) yes
P(1) Pt O(2) C(2) . . . . -2(3) yes
O(2) C(2) C(3) C(4) . . . . 75.0(7) yes
P(2) Pt P(1) C(7) . . . . 49.9(3) yes
O(2) C(2) C(3) C(6) . . . . 173.6(5) yes
P(2) Pt P(1) C(8) . . . . -76.4(4) yes
O(3) C(1) C(3) C(2) . . . . -116.9(6) yes
P(2) Pt P(1) C(9) . . . . 165.2(5) yes
O(3) C(1) C(3) C(4) . . . . 116.3(7) yes
P(2) Pt O(1) C(1) . . . . -64.0(10) yes
O(3) C(1) C(3) C(6) . . . . 15.3(8) yes
P(2) Pt O(2) C(2) . . . . -141.9(5) yes
O(4) C(2) C(3) C(1) . . . . 126.7(6) yes
O(1) Pt P(1) C(7) . . . . -133.5(3) yes
O(4) C(2) C(3) C(4) . . . . -105.3(7) yes
O(1) Pt P(1) C(8) . . . . 100.2(4) yes
O(4) C(2) C(3) C(6) . . . . -6.8(9) yes
O(1) Pt P(1) C(9) . . . . -18.1(5) yes
C(1) C(3) C(4) C(5) . . . . -127.3(6) yes
O(1) Pt P(2) C(10) . . . . 6.0(10) yes
C(1) C(3) C(6) C(5) . . . . 125.1(6) yes
O(1) Pt P(2) C(11) . . . . -112.0(10) yes
C(2) C(3) C(4) C(5) . . . . 106.7(6) yes
O(1) Pt P(2) C(12) . . . . 124.0(10) yes
C(2) C(3) C(6) C(5) . . . . -104.4(6) yes
O(1) Pt O(2) C(2) . . . . 41.7(5) yes
C(3) C(4) C(5) C(6) . . . . 8.9(6) yes
O(1) C(1) C(3) C(2) . . . . 63.8(7) yes
C(3) C(6) C(5) C(4) . . . . -9.1(6) yes
O(1) C(1) C(3) C(4) . . . . -63.0(7) yes
C(4) C(3) C(6) C(5) . . . . 8.8(6) yes
O(1) C(1) C(3) C(6) . . . . -164.0(6) yes
C(5) C(4) C(3) C(6) . . . . -8.8(6) yes
