#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/75/7017562.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_7017562
loop_
_publ_author_name
'Kobayashi, Atsushi'
'Hara, Hirofumi'
'Yonemura, Tsubasa'
'Chang, Ho-Chol'
'Kato, Masako'
_publ_section_title
;
 Systematic structural control of multichromic platinum(ii)-diimine
 complexes ranging from ionic solid to coordination polymer.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1878
_journal_page_last               1888
_journal_paper_doi               10.1039/c1dt11155h
_journal_volume                  41
_journal_year                    2012
_chemical_formula_moiety         'C14 H12 N4 O7 Pt Sr '
_chemical_formula_sum            'C14 H12 N4 O7 Pt Sr'
_chemical_formula_weight         630.98
_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'
_cell_angle_alpha                100.695(6)
_cell_angle_beta                 91.181(6)
_cell_angle_gamma                94.614(6)
_cell_formula_units_Z            2
_cell_length_a                   7.072(2)
_cell_length_b                   10.385(4)
_cell_length_c                   12.842(4)
_cell_measurement_reflns_used    2568
_cell_measurement_temperature    150.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     923.2(5)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      150.1
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.957
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7348
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_exptl_absorpt_coefficient_mu    10.467
_exptl_absorpt_correction_T_max  0.593
_exptl_absorpt_correction_T_min  0.371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.270
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             592.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         7.39
_refine_diff_density_min         -2.03
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.965
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     175
_refine_ls_number_reflns         4062
_refine_ls_R_factor_gt           0.0693
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0661P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1907
_reflns_number_gt                2289
_reflns_number_total             4062
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c1dt11155h.txt
_cod_data_source_block           '__SrPt-3H2O'
_cod_original_formula_sum        'C14 H12 N4 O7 Pt Sr '
_cod_database_code               7017562
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 -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
Pt(1) Pt 0.21679(10) 1.01481(7) 1.06046(5) 0.0134(2) Uani 1.00 1 d .
Sr(1) Sr 0.7581(2) 0.53310(16) 0.60479(12) 0.0110(3) Uani 1.00 1 d .
O(1) O 0.4171(16) 0.5926(12) 0.5856(9) 0.019(3) Uani 1.00 1 d .
O(2) O 0.1102(16) 0.6093(12) 0.5731(9) 0.020(3) Uani 1.00 1 d .
O(3) O 0.5504(17) 1.3144(12) 0.6434(10) 0.023(3) Uani 1.00 1 d .
O(4) O 0.6074(19) 1.4802(13) 0.7811(10) 0.029(3) Uani 1.00 1 d .
O(5) O 0.9951(17) 0.3887(13) 0.6792(11) 0.030(3) Uani 1.00 1 d .
O(6) O 0.7684(16) 0.7078(12) 0.4800(9) 0.021(3) Uani 1.00 1 d .
O(7) O 0.336(3) 1.9145(19) 1.4872(15) 0.086(6) Uani 1.00 1 d .
N(1) N 0.2520(17) 0.8877(12) 0.9251(10) 0.006(2) Uiso 1.00 1 d .
N(2) N 0.3034(19) 1.1384(14) 0.9610(11) 0.014(3) Uiso 1.00 1 d .
N(3) N 0.094(2) 0.8137(17) 1.1999(13) 0.033(4) Uani 1.00 1 d .
N(4) N 0.200(2) 1.2396(15) 1.2559(12) 0.022(3) Uani 1.00 1 d .
C(1) C 0.214(2) 0.7500(18) 0.9124(14) 0.017(3) Uiso 1.00 1 d .
C(2) C 0.222(2) 0.6673(18) 0.8156(14) 0.019(4) Uiso 1.00 1 d .
C(3) C 0.273(2) 0.7209(16) 0.7281(13) 0.012(3) Uiso 1.00 1 d .
C(4) C 0.315(2) 0.8528(17) 0.7391(13) 0.013(3) Uiso 1.00 1 d .
C(5) C 0.307(2) 0.9377(16) 0.8378(13) 0.011(3) Uiso 1.00 1 d .
C(6) C 0.337(2) 1.0772(16) 0.8598(12) 0.009(3) Uiso 1.00 1 d .
C(7) C 0.410(2) 1.1493(18) 0.7874(14) 0.017(3) Uiso 1.00 1 d .
C(8) C 0.444(2) 1.2855(17) 0.8154(14) 0.016(3) Uiso 1.00 1 d .
C(9) C 0.397(2) 1.3433(18) 0.9149(14) 0.020(4) Uiso 1.00 1 d .
C(10) C 0.329(2) 1.2694(18) 0.9858(14) 0.016(3) Uiso 1.00 1 d .
C(11) C 0.267(2) 0.6308(17) 0.6177(13) 0.012(3) Uiso 1.00 1 d .
C(12) C 0.541(2) 1.367(2) 0.7369(15) 0.022(4) Uiso 1.00 1 d .
C(13) C 0.142(2) 0.8854(18) 1.1496(14) 0.016(4) Uani 1.00 1 d .
C(14) C 0.205(2) 1.1564(18) 1.1845(14) 0.015(4) Uani 1.00 1 d .
H(1) H 0.1803 0.7142 0.9733 0.022 Uani 1.00 1 c R
H(2) H 0.1958 0.5756 0.8112 0.025 Uani 1.00 1 c R
H(3) H 0.3483 0.8873 0.6781 0.018 Uani 1.00 1 c R
H(4) H 0.4385 1.1068 0.7183 0.022 Uani 1.00 1 c R
H(5) H 0.4103 1.4352 0.9331 0.026 Uani 1.00 1 c R
H(6) H 0.3029 1.3115 1.0549 0.023 Uani 1.00 1 c R
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 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.011 0.006
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Pt Pt -1.703 8.390
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Sr Sr -1.531 3.250
;
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_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N(1) Pt(1) N(2) 78.1(5) yes . .
N(1) Pt(1) C(13) 98.0(6) yes . .
N(1) Pt(1) C(14) 172.1(6) yes . .
N(2) Pt(1) C(13) 175.8(6) yes . .
N(2) Pt(1) C(14) 94.5(6) yes . .
C(13) Pt(1) C(14) 89.3(7) yes . .
O(1) Sr(1) O(1) 67.6(3) yes . 2_666
O(1) Sr(1) O(2) 142.6(4) yes . 1_655
O(1) Sr(1) O(2) 114.3(3) yes . 2_666
O(1) Sr(1) O(3) 77.5(4) yes . 1_545
O(1) Sr(1) O(4) 77.7(4) yes . 1_545
O(1) Sr(1) O(5) 148.5(4) yes . .
O(1) Sr(1) O(6) 73.8(3) yes . .
O(1) Sr(1) N(4) 83.8(4) yes . 2_677
O(1) Sr(1) C(11) 90.9(4) yes . 2_666
O(1) Sr(1) C(12) 76.6(4) yes . 1_545
O(1) Sr(1) O(2) 109.5(3) yes 2_666 1_655
O(1) Sr(1) O(2) 47.3(3) yes 2_666 2_666
O(1) Sr(1) O(3) 72.9(3) yes 2_666 1_545
O(1) Sr(1) O(4) 117.3(3) yes 2_666 1_545
O(1) Sr(1) O(5) 112.5(3) yes 2_666 .
O(1) Sr(1) O(6) 73.7(3) yes 2_666 .
O(1) Sr(1) N(4) 144.1(4) yes 2_666 2_677
O(1) Sr(1) C(11) 23.6(3) yes 2_666 2_666
O(1) Sr(1) C(12) 95.1(4) yes 2_666 1_545
O(2) Sr(1) O(2) 67.9(3) yes 1_655 2_666
O(2) Sr(1) O(3) 139.0(4) yes 1_655 1_545
O(2) Sr(1) O(4) 128.7(4) yes 1_655 1_545
O(2) Sr(1) O(5) 68.5(4) yes 1_655 .
O(2) Sr(1) O(6) 70.0(3) yes 1_655 .
O(2) Sr(1) N(4) 80.0(4) yes 1_655 2_677
O(2) Sr(1) C(11) 88.9(4) yes 1_655 2_666
O(2) Sr(1) C(12) 139.1(4) yes 1_655 1_545
O(2) Sr(1) O(3) 90.4(3) yes 2_666 1_545
O(2) Sr(1) O(4) 135.8(4) yes 2_666 1_545
O(2) Sr(1) O(5) 77.0(4) yes 2_666 .
O(2) Sr(1) O(6) 79.6(3) yes 2_666 .
O(2) Sr(1) N(4) 145.6(4) yes 2_666 2_677
O(2) Sr(1) C(11) 23.7(3) yes 2_666 2_666
O(2) Sr(1) C(12) 113.2(4) yes 2_666 1_545
O(3) Sr(1) O(4) 48.9(3) yes 1_545 1_545
O(3) Sr(1) O(5) 72.9(4) yes 1_545 .
O(3) Sr(1) O(6) 142.2(3) yes 1_545 .
O(3) Sr(1) N(4) 123.0(4) yes 1_545 2_677
O(3) Sr(1) C(11) 80.7(4) yes 1_545 2_666
O(3) Sr(1) C(12) 24.3(4) yes 1_545 1_545
O(4) Sr(1) O(5) 74.8(4) yes 1_545 .
O(4) Sr(1) O(6) 142.1(4) yes 1_545 .
O(4) Sr(1) N(4) 74.7(4) yes 1_545 2_677
O(4) Sr(1) C(11) 129.6(4) yes 1_545 2_666
O(4) Sr(1) C(12) 24.7(4) yes 1_545 1_545
O(5) Sr(1) O(6) 137.6(3) yes . .
O(5) Sr(1) N(4) 103.2(4) yes . 2_677
O(5) Sr(1) C(11) 94.8(4) yes . 2_666
O(5) Sr(1) C(12) 72.0(4) yes . 1_545
O(6) Sr(1) N(4) 77.8(4) yes . 2_677
O(6) Sr(1) C(11) 75.8(4) yes . 2_666
O(6) Sr(1) C(12) 150.4(4) yes . 1_545
N(4) Sr(1) C(11) 153.5(5) yes 2_677 2_666
N(4) Sr(1) C(12) 99.1(5) yes 2_677 1_545
C(11) Sr(1) C(12) 104.9(4) yes 2_666 1_545
Sr(1) O(1) Sr(1) 112.4(4) yes . 2_666
Sr(1) O(1) C(11) 155.0(11) yes . .
Sr(1) O(1) C(11) 90.8(9) yes 2_666 .
Sr(1) O(2) Sr(1) 112.1(3) yes 1_455 2_666
Sr(1) O(2) C(11) 141.6(11) yes 1_455 .
Sr(1) O(2) C(11) 93.4(9) yes 2_666 .
Sr(1) O(3) C(12) 89.9(11) yes 1_565 .
Sr(1) O(4) C(12) 93.2(11) yes 1_565 .
Pt(1) N(1) C(1) 124.2(11) yes . .
Pt(1) N(1) C(5) 118.3(10) yes . .
C(1) N(1) C(5) 117.5(13) yes . .
Pt(1) N(2) C(6) 114.9(11) yes . .
Pt(1) N(2) C(10) 126.3(11) yes . .
C(6) N(2) C(10) 118.8(15) yes . .
Sr(1) N(4) C(14) 166.2(15) yes 2_677 .
N(1) C(1) C(2) 122.4(17) yes . .
C(1) C(2) C(3) 118.8(17) yes . .
C(2) C(3) C(4) 119.8(15) yes . .
C(2) C(3) C(11) 119.3(15) yes . .
C(4) C(3) C(11) 120.8(16) yes . .
C(3) C(4) C(5) 121.6(16) yes . .
N(1) C(5) C(4) 119.9(15) yes . .
N(1) C(5) C(6) 112.3(13) yes . .
C(4) C(5) C(6) 127.6(16) yes . .
N(2) C(6) C(5) 116.4(15) yes . .
N(2) C(6) C(7) 120.4(14) yes . .
C(5) C(6) C(7) 123.1(14) yes . .
C(6) C(7) C(8) 120.2(15) yes . .
C(7) C(8) C(9) 117.4(17) yes . .
C(7) C(8) C(12) 120.8(15) yes . .
C(9) C(8) C(12) 121.8(16) yes . .
C(8) C(9) C(10) 121.1(17) yes . .
N(2) C(10) C(9) 121.8(15) yes . .
Sr(1) C(11) O(1) 65.6(8) yes 2_666 .
Sr(1) C(11) O(2) 62.9(8) yes 2_666 .
Sr(1) C(11) C(3) 176.3(12) yes 2_666 .
O(1) C(11) O(2) 128.5(15) yes . .
O(1) C(11) C(3) 116.8(13) yes . .
O(2) C(11) C(3) 114.7(14) yes . .
Sr(1) C(12) O(3) 65.9(10) yes 1_565 .
Sr(1) C(12) O(4) 62.1(10) yes 1_565 .
Sr(1) C(12) C(8) 173.9(11) yes 1_565 .
O(3) C(12) O(4) 128.0(19) yes . .
O(3) C(12) C(8) 118.4(16) yes . .
O(4) C(12) C(8) 113.5(16) yes . .
Pt(1) C(13) N(3) 177.6(17) yes . .
Pt(1) C(14) N(4) 179.0(12) yes . .
N(1) C(1) H(1) 118.0(15) no . .
C(2) C(1) H(1) 119.6(18) no . .
C(1) C(2) H(2) 119.2(19) no . .
C(3) C(2) H(2) 121.9(16) no . .
C(3) C(4) H(3) 118.3(15) no . .
C(5) C(4) H(3) 120.1(17) no . .
C(6) C(7) H(4) 120.5(17) no . .
C(8) C(7) H(4) 119.3(18) no . .
C(8) C(9) H(5) 118.3(19) no . .
C(10) C(9) H(5) 120.6(18) no . .
N(2) C(10) H(6) 118.8(18) no . .
C(9) C(10) H(6) 119.3(17) no . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
_geom_bond_site_symmetry_2
Pt(1) N(1) 2.011(12) yes .
Pt(1) N(2) 2.042(15) yes .
Pt(1) C(13) 1.97(2) yes .
Pt(1) C(14) 1.966(16) yes .
Sr(1) O(1) 2.555(12) yes .
Sr(1) O(1) 2.765(11) yes 2_666
Sr(1) O(2) 2.615(11) yes 1_655
Sr(1) O(2) 2.707(11) yes 2_666
Sr(1) O(3) 2.734(12) yes 1_545
Sr(1) O(4) 2.652(14) yes 1_545
Sr(1) O(5) 2.615(14) yes .
Sr(1) O(6) 2.632(14) yes .
Sr(1) N(4) 2.675(14) yes 2_677
Sr(1) C(11) 3.036(16) yes 2_666
Sr(1) C(12) 2.99(2) yes 1_545
O(1) C(11) 1.21(2) yes .
O(2) C(11) 1.224(19) yes .
O(3) C(12) 1.23(2) yes .
O(4) C(12) 1.25(2) yes .
N(1) C(1) 1.41(2) yes .
N(1) C(5) 1.37(2) yes .
N(2) C(6) 1.37(2) yes .
N(2) C(10) 1.33(2) yes .
N(3) C(13) 1.11(2) yes .
N(4) C(14) 1.14(2) yes .
C(1) C(2) 1.38(2) yes .
C(2) C(3) 1.39(2) yes .
C(3) C(4) 1.36(2) yes .
C(3) C(11) 1.55(2) yes .
C(4) C(5) 1.41(2) yes .
C(5) C(6) 1.42(2) yes .
C(6) C(7) 1.38(2) yes .
C(7) C(8) 1.39(2) yes .
C(8) C(9) 1.37(2) yes .
C(8) C(12) 1.57(2) yes .
C(9) C(10) 1.37(2) yes .
C(1) H(1) 0.954(19) no .
C(2) H(2) 0.946(19) no .
C(4) H(3) 0.946(18) no .
C(7) H(4) 0.947(17) no .
C(9) H(5) 0.936(18) no .
C(10) H(6) 0.942(17) no .
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_2
Pt(1) Pt(1) 3.3738(9) 2_577
Pt(1) N(1) 3.542(12) 2_577
O(1) O(3) 3.268(18) 2_676
O(2) O(2) 2.973(15) 2_566
O(2) N(4) 3.402(19) 2_577
O(3) O(1) 3.268(18) 2_676
O(3) O(6) 2.698(17) 2_676
O(3) O(7) 2.83(2) 2_687
O(4) N(4) 3.23(2) 2_687
O(4) C(10) 3.58(2) 2_687
O(5) O(6) 2.763(17) 2_766
O(5) N(3) 2.87(2) 2_667
O(6) O(3) 2.698(17) 2_676
O(6) O(5) 2.763(17) 2_766
O(6) C(12) 3.44(2) 2_676
O(7) O(3) 2.83(2) 2_687
O(7) C(4) 3.42(2) 1_566
N(1) Pt(1) 3.542(12) 2_577
N(1) C(14) 3.46(2) 2_577
N(2) N(3) 3.58(2) 2_577
N(2) C(13) 3.40(2) 2_577
N(3) O(5) 2.87(2) 2_667
N(3) N(2) 3.58(2) 2_577
N(3) C(6) 3.46(2) 2_577
N(4) O(2) 3.402(19) 2_577
N(4) O(4) 3.23(2) 2_687
N(4) C(2) 3.37(2) 2_577
N(4) C(3) 3.41(2) 2_577
C(1) C(14) 3.47(2) 2_577
C(2) N(4) 3.37(2) 2_577
C(3) N(4) 3.41(2) 2_577
C(4) O(7) 3.42(2) 1_544
C(6) N(3) 3.46(2) 2_577
C(6) C(13) 3.45(2) 2_577
C(10) O(4) 3.58(2) 2_687
C(12) O(6) 3.44(2) 2_676
C(13) N(2) 3.40(2) 2_577
C(13) C(6) 3.45(2) 2_577
C(14) N(1) 3.46(2) 2_577
C(14) C(1) 3.47(2) 2_577
O(4) H(6) 2.748(12) 2_687
O(7) H(3) 2.52(2) 1_566
O(7) H(4) 3.287(17) 1_566
O(7) H(4) 3.09(2) 2_687
C(9) H(5) 2.946(16) 2_687
C(10) H(5) 3.425(17) 2_687
H(1) H(6) 3.413 2_577
H(3) O(7) 2.52(2) 1_544
H(4) O(7) 3.287(17) 1_544
H(4) O(7) 3.09(2) 2_687
H(5) C(9) 2.946(17) 2_687
H(5) C(10) 3.425(17) 2_687
H(5) H(5) 2.269 2_687
H(5) H(6) 3.168 2_687
H(6) O(4) 2.748(12) 2_687
H(6) H(1) 3.413 2_577
H(6) H(5) 3.168 2_687
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_3
_geom_torsion_site_symmetry_4
N(1) Pt(1) N(2) C(6) 0.5(9) . . .
N(1) Pt(1) N(2) C(10) -179.4(10) . . .
N(2) Pt(1) N(1) C(1) -178.1(13) . . .
N(2) Pt(1) N(1) C(5) -1.5(11) . . .
N(1) Pt(1) C(13) N(3) -111(39) . . .
C(13) Pt(1) N(1) C(1) 3.5(13) . . .
C(13) Pt(1) N(1) C(5) -179.9(10) . . .
N(1) Pt(1) C(14) N(4) -5(127) . . .
C(14) Pt(1) N(1) C(1) 162(4) . . .
C(14) Pt(1) N(1) C(5) -21(5) . . .
N(2) Pt(1) C(13) N(3) -133(36) . . .
C(13) Pt(1) N(2) C(6) 23(8) . . .
C(13) Pt(1) N(2) C(10) -157(7) . . .
N(2) Pt(1) C(14) N(4) -24(107) . . .
C(14) Pt(1) N(2) C(6) 177.9(11) . . .
C(14) Pt(1) N(2) C(10) -2.1(14) . . .
C(13) Pt(1) C(14) N(4) 154(106) . . .
C(14) Pt(1) C(13) N(3) 72(39) . . .
O(1) Sr(1) O(1) C(11) 170.5(11) . 2_666 2_666
O(1) Sr(1) O(1) C(11) 157(2) 2_666 . .
O(1) Sr(1) O(2) C(11) 130.6(17) . 1_655 1_655
O(2) Sr(1) O(1) Sr(1) 93.1(6) 1_655 . 2_666
O(2) Sr(1) O(1) C(11) -110(2) 1_655 . .
O(1) Sr(1) O(2) C(11) -11.3(12) . 2_666 2_666
O(2) Sr(1) O(1) Sr(1) 8.3(6) 2_666 . 2_666
O(2) Sr(1) O(1) C(11) 165(2) 2_666 . .
O(1) Sr(1) O(3) C(12) -85.0(11) . 1_545 1_545
O(3) Sr(1) O(1) Sr(1) -76.4(4) 1_545 . 2_666
O(3) Sr(1) O(1) C(11) 81(2) 1_545 . .
O(1) Sr(1) O(4) C(12) 84.6(11) . 1_545 1_545
O(4) Sr(1) O(1) Sr(1) -126.6(5) 1_545 . 2_666
O(4) Sr(1) O(1) C(11) 30(2) 1_545 . .
O(5) Sr(1) O(1) Sr(1) -97.0(7) . . 2_666
O(5) Sr(1) O(1) C(11) 60(3) . . .
O(6) Sr(1) O(1) Sr(1) 78.6(4) . . 2_666
O(6) Sr(1) O(1) C(11) -124(2) . . .
O(1) Sr(1) N(4) C(14) 70(6) . 2_677 2_677
N(4) Sr(1) O(1) Sr(1) 157.7(5) 2_677 . 2_666
N(4) Sr(1) O(1) C(11) -45(2) 2_677 . .
O(1) Sr(1) C(11) O(1) -8.8(11) . 2_666 2_666
O(1) Sr(1) C(11) O(2) 169.7(11) . 2_666 2_666
O(1) Sr(1) C(11) C(3) -139(17) . 2_666 2_666
C(11) Sr(1) O(1) Sr(1) 3.8(5) 2_666 . 2_666
C(11) Sr(1) O(1) C(11) 161(2) 2_666 . .
O(1) Sr(1) C(12) O(3) 89.4(11) . 1_545 1_545
O(1) Sr(1) C(12) O(4) -89.7(11) . 1_545 1_545
O(1) Sr(1) C(12) C(8) -134(12) . 1_545 1_545
C(12) Sr(1) O(1) Sr(1) -101.3(5) 1_545 . 2_666
C(12) Sr(1) O(1) C(11) 56(2) 1_545 . .
O(1) Sr(1) O(2) C(11) -151.0(17) 2_666 1_655 1_655
O(2) Sr(1) O(1) Sr(1) -140.0(4) 1_655 2_666 2_666
O(2) Sr(1) O(1) C(11) 30.5(11) 1_655 2_666 2_666
O(1) Sr(1) O(2) C(11) -0.8(10) 2_666 2_666 2_666
O(2) Sr(1) O(1) Sr(1) -169.7(7) 2_666 2_666 2_666
O(2) Sr(1) O(1) C(11) 0.8(10) 2_666 2_666 2_666
O(1) Sr(1) O(3) C(12) -155.1(11) 2_666 1_545 1_545
O(3) Sr(1) O(1) Sr(1) 83.2(5) 1_545 2_666 2_666
O(3) Sr(1) O(1) C(11) -106.2(11) 1_545 2_666 2_666
O(1) Sr(1) O(4) C(12) 27.9(12) 2_666 1_545 1_545
O(4) Sr(1) O(1) Sr(1) 61.9(6) 1_545 2_666 2_666
O(4) Sr(1) O(1) C(11) -127.6(10) 1_545 2_666 2_666
O(5) Sr(1) O(1) Sr(1) 145.9(4) . 2_666 2_666
O(5) Sr(1) O(1) C(11) -43.6(11) . 2_666 2_666
O(6) Sr(1) O(1) Sr(1) -78.8(5) . 2_666 2_666
O(6) Sr(1) O(1) C(11) 91.7(11) . 2_666 2_666
O(1) Sr(1) N(4) C(14) 107(6) 2_666 2_677 2_677
N(4) Sr(1) O(1) Sr(1) -40.0(9) 2_677 2_666 2_666
N(4) Sr(1) O(1) C(11) 130.6(11) 2_677 2_666 2_666
O(1) Sr(1) C(11) O(2) 178.5(18) 2_666 2_666 2_666
O(1) Sr(1) C(11) C(3) -130(18) 2_666 2_666 2_666
C(11) Sr(1) O(1) Sr(1) -170.5(13) 2_666 2_666 2_666
O(1) Sr(1) C(12) O(3) 23.8(11) 2_666 1_545 1_545
O(1) Sr(1) C(12) O(4) -155.3(11) 2_666 1_545 1_545
O(1) Sr(1) C(12) C(8) 160(12) 2_666 1_545 1_545
C(12) Sr(1) O(1) Sr(1) 73.3(5) 1_545 2_666 2_666
C(12) Sr(1) O(1) C(11) -116.2(11) 1_545 2_666 2_666
O(2) Sr(1) O(2) C(11) -150.6(12) 1_655 2_666 2_666
O(2) Sr(1) O(2) C(11) -127.9(18) 2_666 1_655 1_655
O(2) Sr(1) O(3) C(12) 104.6(11) 1_655 1_545 1_545
O(3) Sr(1) O(2) C(11) -65.0(19) 1_545 1_655 1_655
O(2) Sr(1) O(4) C(12) -125.2(11) 1_655 1_545 1_545
O(4) Sr(1) O(2) C(11) 4(2) 1_545 1_655 1_655
O(5) Sr(1) O(2) C(11) -43.7(17) . 1_655 1_655
O(6) Sr(1) O(2) C(11) 145.4(18) . 1_655 1_655
O(2) Sr(1) N(4) C(14) -144(6) 1_655 2_677 2_677
N(4) Sr(1) O(2) C(11) 64.9(18) 2_677 1_655 1_655
O(2) Sr(1) C(11) O(1) -151.4(11) 1_655 2_666 2_666
O(2) Sr(1) C(11) O(2) 27.1(11) 1_655 2_666 2_666
O(2) Sr(1) C(11) C(3) 78(17) 1_655 2_666 2_666
C(11) Sr(1) O(2) C(11) -139.3(18) 2_666 1_655 1_655
O(2) Sr(1) C(12) O(3) -104.0(11) 1_655 1_545 1_545
O(2) Sr(1) C(12) O(4) 76.9(13) 1_655 1_545 1_545
O(2) Sr(1) C(12) C(8) 32(12) 1_655 1_545 1_545
C(12) Sr(1) O(2) C(11) -28(2) 1_545 1_655 1_655
O(2) Sr(1) O(3) C(12) 160.2(11) 2_666 1_545 1_545
O(3) Sr(1) O(2) C(11) 65.2(11) 1_545 2_666 2_666
O(2) Sr(1) O(4) C(12) -27.7(13) 2_666 1_545 1_545
O(4) Sr(1) O(2) C(11) 86.1(12) 1_545 2_666 2_666
O(5) Sr(1) O(2) C(11) 137.6(11) . 2_666 2_666
O(6) Sr(1) O(2) C(11) -78.1(11) . 2_666 2_666
O(2) Sr(1) N(4) C(14) -165(5) 2_666 2_677 2_677
N(4) Sr(1) O(2) C(11) -127.9(11) 2_677 2_666 2_666
O(2) Sr(1) C(11) O(1) -178.5(18) 2_666 2_666 2_666
O(2) Sr(1) C(11) C(3) 51(17) 2_666 2_666 2_666
O(2) Sr(1) C(12) O(3) -21.6(12) 2_666 1_545 1_545
O(2) Sr(1) C(12) O(4) 159.3(10) 2_666 1_545 1_545
O(2) Sr(1) C(12) C(8) 115(12) 2_666 1_545 1_545
C(12) Sr(1) O(2) C(11) 73.9(11) 1_545 2_666 2_666
O(3) Sr(1) O(4) C(12) 0.5(10) 1_545 1_545 1_545
O(4) Sr(1) O(3) C(12) -0.5(10) 1_545 1_545 1_545
O(5) Sr(1) O(3) C(12) 84.0(11) . 1_545 1_545
O(6) Sr(1) O(3) C(12) -126.3(11) . 1_545 1_545
O(3) Sr(1) N(4) C(14) -1(5) 1_545 2_677 2_677
N(4) Sr(1) O(3) C(12) -11.0(13) 2_677 1_545 1_545
O(3) Sr(1) C(11) O(1) 68.4(10) 1_545 2_666 2_666
O(3) Sr(1) C(11) O(2) -113.1(11) 1_545 2_666 2_666
O(3) Sr(1) C(11) C(3) -62(17) 1_545 2_666 2_666
C(11) Sr(1) O(3) C(12) -178.0(11) 2_666 1_545 1_545
O(3) Sr(1) C(12) O(4) -179.1(19) 1_545 1_545 1_545
O(3) Sr(1) C(12) C(8) 136(13) 1_545 1_545 1_545
O(5) Sr(1) O(4) C(12) -79.9(11) . 1_545 1_545
O(6) Sr(1) O(4) C(12) 126.4(11) . 1_545 1_545
O(4) Sr(1) N(4) C(14) -9(6) 1_545 2_677 2_677
N(4) Sr(1) O(4) C(12) 171.4(12) 2_677 1_545 1_545
O(4) Sr(1) C(11) O(1) 66.0(12) 1_545 2_666 2_666
O(4) Sr(1) C(11) O(2) -115.5(10) 1_545 2_666 2_666
O(4) Sr(1) C(11) C(3) -64(18) 1_545 2_666 2_666
C(11) Sr(1) O(4) C(12) 3.6(13) 2_666 1_545 1_545
O(4) Sr(1) C(12) O(3) 179.1(19) 1_545 1_545 1_545
O(4) Sr(1) C(12) C(8) -45(11) 1_545 1_545 1_545
O(5) Sr(1) N(4) C(14) -79(6) . 2_677 2_677
O(5) Sr(1) C(11) O(1) 140.3(10) . 2_666 2_666
O(5) Sr(1) C(11) O(2) -41.3(11) . 2_666 2_666
O(5) Sr(1) C(11) C(3) 10(17) . 2_666 2_666
O(5) Sr(1) C(12) O(3) -88.3(11) . 1_545 1_545
O(5) Sr(1) C(12) O(4) 92.7(11) . 1_545 1_545
O(5) Sr(1) C(12) C(8) 48(12) . 1_545 1_545
O(6) Sr(1) N(4) C(14) 145(6) . 2_677 2_677
O(6) Sr(1) C(11) O(1) -81.8(10) . 2_666 2_666
O(6) Sr(1) C(11) O(2) 96.7(11) . 2_666 2_666
O(6) Sr(1) C(11) C(3) 148(17) . 2_666 2_666
O(6) Sr(1) C(12) O(3) 89.3(13) . 1_545 1_545
O(6) Sr(1) C(12) O(4) -89.8(13) . 1_545 1_545
O(6) Sr(1) C(12) C(8) -134(12) . 1_545 1_545
N(4) Sr(1) C(11) O(1) -86.7(14) 2_677 2_666 2_666
N(4) Sr(1) C(11) O(2) 91.8(14) 2_677 2_666 2_666
N(4) Sr(1) C(11) C(3) 143(17) 2_677 2_666 2_666
C(11) Sr(1) N(4) C(14) 150(5) 2_666 2_677 2_677
N(4) Sr(1) C(12) O(3) 170.7(11) 2_677 1_545 1_545
N(4) Sr(1) C(12) O(4) -8.4(12) 2_677 1_545 1_545
N(4) Sr(1) C(12) C(8) -53(12) 2_677 1_545 1_545
C(12) Sr(1) N(4) C(14) -5(6) 1_545 2_677 2_677
C(11) Sr(1) C(12) O(3) 2.0(12) 2_666 1_545 1_545
C(11) Sr(1) C(12) O(4) -177.1(11) 2_666 1_545 1_545
C(11) Sr(1) C(12) C(8) 138(12) 2_666 1_545 1_545
C(12) Sr(1) C(11) O(1) 67.6(11) 1_545 2_666 2_666
C(12) Sr(1) C(11) O(2) -113.9(11) 1_545 2_666 2_666
C(12) Sr(1) C(11) C(3) -63(17) 1_545 2_666 2_666
Sr(1) O(1) C(11) Sr(1) -159(2) . . 2_666
Sr(1) O(1) C(11) O(2) -157.1(18) . . .
Sr(1) O(1) C(11) C(3) 24(3) . . .
Sr(1) O(1) C(11) O(2) 2(2) 2_666 . .
Sr(1) O(1) C(11) C(3) -176.8(14) 2_666 . .
Sr(1) O(2) C(11) Sr(1) 132.9(17) 1_455 . 2_666
Sr(1) O(2) C(11) O(1) 131.2(17) 1_455 . .
Sr(1) O(2) C(11) C(3) -50(2) 1_455 . .
Sr(1) O(2) C(11) O(1) -2(2) 2_666 . .
Sr(1) O(2) C(11) C(3) 176.8(13) 2_666 . .
Sr(1) O(3) C(12) O(4) 1(2) 1_565 . .
Sr(1) O(3) C(12) C(8) -175.2(15) 1_565 . .
Sr(1) O(4) C(12) O(3) -1(2) 1_565 . .
Sr(1) O(4) C(12) C(8) 175.3(13) 1_565 . .
Pt(1) N(1) C(1) C(2) 173.2(13) . . .
Pt(1) N(1) C(5) C(4) -173.9(11) . . .
Pt(1) N(1) C(5) C(6) 2.1(17) . . .
C(1) N(1) C(5) C(4) 3(2) . . .
C(1) N(1) C(5) C(6) 179.0(13) . . .
C(5) N(1) C(1) C(2) -3(2) . . .
Pt(1) N(2) C(6) C(5) 0.4(14) . . .
Pt(1) N(2) C(6) C(7) -175.1(12) . . .
Pt(1) N(2) C(10) C(9) 176.4(13) . . .
C(6) N(2) C(10) C(9) -3(2) . . .
C(10) N(2) C(6) C(5) -179.6(10) . . .
C(10) N(2) C(6) C(7) 5(2) . . .
Sr(1) N(4) C(14) Pt(1) 6(127) 2_677 . .
N(1) C(1) C(2) C(3) 2(2) . . .
C(1) C(2) C(3) C(4) 0(2) . . .
C(1) C(2) C(3) C(11) -175.4(15) . . .
C(2) C(3) C(4) C(5) -1(2) . . .
C(2) C(3) C(11) Sr(1) 132(16) . . 2_666
C(2) C(3) C(11) O(1) -99(2) . . .
C(2) C(3) C(11) O(2) 82(2) . . .
C(4) C(3) C(11) Sr(1) -43(17) . . 2_666
C(4) C(3) C(11) O(1) 85(2) . . .
C(4) C(3) C(11) O(2) -93(2) . . .
C(11) C(3) C(4) C(5) 175.0(15) . . .
C(3) C(4) C(5) N(1) -1(2) . . .
C(3) C(4) C(5) C(6) -176.5(16) . . .
N(1) C(5) C(6) N(2) -2(2) . . .
N(1) C(5) C(6) C(7) 173.8(15) . . .
C(4) C(5) C(6) N(2) 174.0(15) . . .
C(4) C(5) C(6) C(7) -11(2) . . .
N(2) C(6) C(7) C(8) -2(2) . . .
C(5) C(6) C(7) C(8) -177.4(16) . . .
C(6) C(7) C(8) C(9) -2(2) . . .
C(6) C(7) C(8) C(12) 175.4(15) . . .
C(7) C(8) C(9) C(10) 3(2) . . .
C(7) C(8) C(12) Sr(1) -119(12) . . 1_565
C(7) C(8) C(12) O(3) 15(2) . . .
C(7) C(8) C(12) O(4) -162.0(17) . . .
C(9) C(8) C(12) Sr(1) 58(13) . . 1_565
C(9) C(8) C(12) O(3) -168.0(17) . . .
C(9) C(8) C(12) O(4) 15(2) . . .
C(12) C(8) C(9) C(10) -174.0(16) . . .
C(8) C(9) C(10) N(2) -1(2) . . .
