#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/70/7007017.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_7007017
loop_
_publ_author_name
'Liu, Fenghui'
'Chen, Wanzhi'
'Wang, Daqi'
_publ_section_title
;
 Synthesis and characterization of amidate bridged dimeric and
 oligomeric platinum complexes having short platinum-platinum
 interactions.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3445
_journal_page_last               3453
_journal_paper_doi               10.1039/b516410a
_journal_year                    2006
_chemical_formula_sum            'C23.5 H53 N9 O13.5 Pt2'
_chemical_formula_weight         1067.93
_chemical_name_systematic
;
?
;
_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_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.182(3)
_cell_angle_beta                 109.348(3)
_cell_angle_gamma                98.395(3)
_cell_formula_units_Z            2
_cell_length_a                   10.220(2)
_cell_length_b                   14.711(3)
_cell_length_c                   14.962(3)
_cell_measurement_temperature    153(2)
_cell_volume                     1966.6(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.814
_diffrn_measured_fraction_theta_max 0.814
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6476
_diffrn_reflns_theta_full        23.98
_diffrn_reflns_theta_max         23.98
_diffrn_reflns_theta_min         4.64
_exptl_absorpt_coefficient_mu    7.172
_exptl_absorpt_correction_T_max  0.5341
_exptl_absorpt_correction_T_min  0.3933
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1042
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.903
_refine_diff_density_min         -1.404
_refine_diff_density_rms         0.206
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         5008
_refine_ls_number_restraints     675
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0468
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0845P)²+5.9386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1236
_refine_ls_wR_factor_ref         0.1326
_reflns_number_gt                3927
_reflns_number_total             5008
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b516410a.txt
_cod_data_source_block           cy
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C23.50 H53 N9 O13.50 Pt2'
_cod_database_code               7007017
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 0.66618(4) 0.81390(3) 0.29301(3) 0.02486(18) Uani 1 1 d . . .
Pt2 Pt 0.53099(4) 0.93713(3) 0.21570(3) 0.02609(18) Uani 1 1 d . C .
O1 O 0.3607(10) 0.8304(7) 0.1860(7) 0.050(3) Uani 1 1 d . . .
N2 N 0.5674(10) 0.8581(8) 0.0996(8) 0.036(3) Uani 1 1 d U . .
H2 H 0.5164 0.8612 0.0408 0.043 Uiso 1 1 calc R . .
N3 N 0.8648(10) 0.9057(7) 0.3753(7) 0.031(2) Uani 1 1 d . . .
H3D H 0.9146 0.9055 0.3348 0.047 Uiso 1 1 calc R . .
H3F H 0.9118 0.8855 0.4263 0.047 Uiso 1 1 calc R . .
H3E H 0.8575 0.9675 0.4017 0.047 Uiso 1 1 calc R . .
N4 N 0.6059(11) 0.8438(8) 0.4120(7) 0.037(3) Uani 1 1 d . . .
H4F H 0.5152 0.8515 0.3916 0.055 Uiso 1 1 calc R . .
H4D H 0.6675 0.9000 0.4617 0.055 Uiso 1 1 calc R . .
H4E H 0.6080 0.7933 0.4359 0.055 Uiso 1 1 calc R . .
N5 N 0.6878(11) 1.0545(7) 0.2425(8) 0.035(3) Uani 1 1 d . . .
H5A H 0.7745 1.0388 0.2555 0.042 Uiso 1 1 calc R A 1
H5B H 0.6672 1.0738 0.1871 0.042 Uiso 1 1 calc R A 1
N6 N 0.4893(10) 1.0332(7) 0.3254(8) 0.031(2) Uani 1 1 d D . .
H6A H 0.3926 1.0182 0.3120 0.037 Uiso 1 1 calc R B 1
H6B H 0.5385 1.0300 0.3879 0.037 Uiso 1 1 calc R B 1
N7 N 0.7734(11) 0.0981(8) 0.5941(8) 0.0401(15) Uani 1 1 d DU . .
N8 N 0.2544(11) 0.9140(8) 0.9789(8) 0.0401(15) Uani 1 1 d DU . .
N9 N 0.9391(12) 0.8976(9) 0.6319(9) 0.0401(15) Uani 1 1 d U . .
N1 N 0.4782(8) 0.7131(6) 0.2098(6) 0.0158(19) Uani 1 1 d U . .
H1 H 0.4749 0.6503 0.1952 0.019 Uiso 1 1 calc RD . .
O2 O 0.7232(8) 0.7810(6) 0.1742(6) 0.035(2) Uani 1 1 d . . .
O3 O 0.5661(11) 0.6446(7) 0.3944(7) 0.053(3) Uani 1 1 d . . .
O4 O 0.6410(11) 0.0806(9) 0.5722(9) 0.067(3) Uani 1 1 d DU . .
O5 O 0.8120(9) 0.0354(7) 0.5397(7) 0.052(3) Uani 1 1 d DU . .
O6 O 0.8613(15) 0.1688(11) 0.6575(11) 0.117(5) Uani 1 1 d DU . .
O7 O 0.3329(16) 0.8919(12) 0.9390(11) 0.121(3) Uani 1 1 d DU . .
O8 O 0.1585(14) 0.8960(12) 0.9958(11) 0.121(3) Uani 1 1 d DU . .
O9 O 0.3536(15) 0.9932(10) 1.0701(10) 0.121(3) Uani 1 1 d DU . .
O10 O 0.8144(10) 0.8529(8) 0.6048(7) 0.057(3) Uani 1 1 d U . .
O11 O 1.0047(10) 0.8842(7) 0.5707(7) 0.045(2) Uani 1 1 d U . .
O12 O 1.0106(10) 0.9591(9) 0.7195(7) 0.065(3) Uani 1 1 d U . .
O13 O 0.1961(15) -0.0140(14) 0.2051(11) 0.130(6) Uani 1 1 d DU . .
H13D H 0.1167 -0.0152 0.2291 0.156 Uiso 1 1 d R . .
H13C H 0.2239 0.0505 0.1986 0.156 Uiso 1 1 d RD . .
O14 O 1.092(2) 0.5749(17) 0.744(2) 0.096(7) Uani 0.50 1 d PDU . .
C1 C 0.3601(13) 0.7402(9) 0.1769(9) 0.037(3) Uani 1 1 d D . .
C2 C 0.2251(13) 0.6571(10) 0.1301(11) 0.047(4) Uani 1 1 d . . .
C3 C 0.2171(19) 0.6046(13) 0.2031(16) 0.083(6) Uani 1 1 d . . .
H3A H 0.1291 0.5507 0.1708 0.125 Uiso 1 1 calc R . .
H3B H 0.2161 0.6509 0.2642 0.125 Uiso 1 1 calc R . .
H3C H 0.3009 0.5782 0.2215 0.125 Uiso 1 1 calc R . .
C4 C 0.0915(13) 0.6931(10) 0.0972(12) 0.050(4) Uani 1 1 d . . .
H4A H 0.0060 0.6376 0.0677 0.075 Uiso 1 1 calc R . .
H4B H 0.0937 0.7229 0.0465 0.075 Uiso 1 1 calc R . .
H4C H 0.0886 0.7419 0.1558 0.075 Uiso 1 1 calc R . .
C5 C 0.2311(14) 0.5865(10) 0.0331(12) 0.066(5) Uani 1 1 d D . .
H5C H 0.3208 0.5665 0.0511 0.099 Uiso 1 1 calc RD . .
H5D H 0.2270 0.6203 -0.0153 0.099 Uiso 1 1 calc R . .
H5E H 0.1492 0.5284 0.0026 0.099 Uiso 1 1 calc R . .
C6 C 0.6530(12) 0.8035(9) 0.0968(9) 0.033(3) Uani 1 1 d . . .
C7 C 0.6892(14) 0.7619(10) 0.0038(9) 0.040(3) Uani 1 1 d . . .
C8 C 0.6954(15) 0.6578(11) -0.0115(11) 0.049(4) Uani 1 1 d . . .
H8A H 0.7187 0.6321 -0.0706 0.074 Uiso 1 1 calc R . .
H8B H 0.6020 0.6180 -0.0225 0.074 Uiso 1 1 calc R . .
H8C H 0.7696 0.6553 0.0486 0.074 Uiso 1 1 calc R . .
C9 C 0.5726(18) 0.7670(15) -0.0928(11) 0.074(6) Uani 1 1 d . . .
H9A H 0.5691 0.8353 -0.0824 0.111 Uiso 1 1 calc R . .
H9B H 0.4784 0.7272 -0.1051 0.111 Uiso 1 1 calc R . .
H9C H 0.5973 0.7417 -0.1513 0.111 Uiso 1 1 calc R . .
C10 C 0.8357(15) 0.8283(11) 0.0248(12) 0.051(4) Uani 1 1 d . . .
H10A H 0.8283 0.8957 0.0346 0.076 Uiso 1 1 calc R . .
H10B H 0.8628 0.8045 -0.0328 0.076 Uiso 1 1 calc R . .
H10C H 0.9088 0.8266 0.0859 0.076 Uiso 1 1 calc R . .
C11 C 0.7533(13) 0.7065(9) 0.3456(9) 0.032(3) Uani 1 1 d . . .
H11 H 0.8250 0.7389 0.4170 0.038 Uiso 1 1 calc R . .
C12 C 0.6347(15) 0.6319(10) 0.3419(11) 0.043(3) Uani 1 1 d . . .
C13 C 0.6165(16) 0.5347(9) 0.2627(11) 0.049(4) Uani 1 1 d . . .
H13A H 0.6581 0.4896 0.2951 0.058 Uiso 1 1 calc R . .
H13B H 0.5136 0.5027 0.2195 0.058 Uiso 1 1 calc R . .
C14 C 0.6959(16) 0.5617(10) 0.2023(11) 0.058(4) Uani 1 1 d D . .
H14A H 0.6342 0.5809 0.1479 0.070 Uiso 1 1 calc R . .
H14B H 0.7307 0.5065 0.1717 0.070 Uiso 1 1 calc R . .
C15 C 0.8232(13) 0.6498(10) 0.2812(10) 0.048(4) Uani 1 1 d D . .
H15A H 0.9011 0.6275 0.3221 0.057 Uiso 1 1 calc R . .
H15B H 0.8626 0.6899 0.2482 0.057 Uiso 1 1 calc R . .
C16 C 0.695(3) 1.1382(19) 0.336(2) 0.036(4) Uani 0.504(15) 1 d PDU C 1
H16 H 0.7529 1.1309 0.4006 0.043 Uiso 0.504(15) 1 calc PR C 1
C17 C 0.538(3) 1.1336(12) 0.3236(18) 0.039(4) Uani 0.504(15) 1 d PDU C 1
H17 H 0.4799 1.1414 0.2592 0.047 Uiso 0.504(15) 1 calc PR C 1
C18 C 0.5472(14) 1.2147(8) 0.4174(10) 0.040(2) Uani 0.504(15) 1 d PDU C 1
H18A H 0.4497 1.2099 0.4177 0.048 Uiso 0.504(15) 1 calc PR C 1
H18B H 0.6080 1.2043 0.4788 0.048 Uiso 0.504(15) 1 calc PR C 1
C19 C 0.610(3) 1.3179(13) 0.422(2) 0.039(4) Uani 0.504(15) 1 d PDU C 1
H19A H 0.6125 1.3687 0.4822 0.047 Uiso 0.504(15) 1 calc PR C 1
H19B H 0.5523 1.3301 0.3604 0.047 Uiso 0.504(15) 1 calc PR C 1
C20 C 0.763(3) 1.3167(18) 0.4267(18) 0.042(4) Uani 0.504(15) 1 d PDU C 1
H20A H 0.8159 1.3010 0.4866 0.050 Uiso 0.504(15) 1 calc PR C 1
H20B H 0.8148 1.3827 0.4348 0.050 Uiso 0.504(15) 1 calc PR C 1
C21 C 0.7604(15) 1.2393(9) 0.3289(10) 0.043(3) Uani 0.504(15) 1 d PDU C 1
H21A H 0.8584 1.2437 0.3297 0.052 Uiso 0.504(15) 1 calc PR C 1
H21B H 0.6987 1.2483 0.2669 0.052 Uiso 0.504(15) 1 calc PR C 1
C16' C 0.652(3) 1.1488(19) 0.285(2) 0.038(4) Uani 0.496(15) 1 d PDU C 2
H16' H 0.5672 1.1544 0.2308 0.045 Uiso 0.496(15) 1 calc PR C 2
C17' C 0.606(3) 1.1310(15) 0.368(2) 0.034(4) Uani 0.496(15) 1 d PDU C 2
H17' H 0.6917 1.1268 0.4216 0.041 Uiso 0.496(15) 1 calc PR C 2
C18' C 0.5472(14) 1.2147(8) 0.4174(10) 0.040(2) Uani 0.496(15) 1 d PDU C 2
H18C H 0.5267 1.2042 0.4745 0.048 Uiso 0.496(15) 1 calc PR C 2
H18D H 0.4587 1.2194 0.3676 0.048 Uiso 0.496(15) 1 calc PR C 2
C19' C 0.674(3) 1.3087(16) 0.4553(19) 0.039(4) Uani 0.496(15) 1 d PDU C 2
H19C H 0.6473 1.3660 0.4911 0.047 Uiso 0.496(15) 1 calc PR C 2
H19D H 0.7600 1.3011 0.5047 0.047 Uiso 0.496(15) 1 calc PR C 2
C20' C 0.712(3) 1.3301(15) 0.371(2) 0.042(4) Uani 0.496(15) 1 d PDU C 2
H20C H 0.6279 1.3360 0.3180 0.050 Uiso 0.496(15) 1 calc PR C 2
H20D H 0.7910 1.3908 0.3978 0.050 Uiso 0.496(15) 1 calc PR C 2
C21' C 0.7604(15) 1.2393(9) 0.3289(10) 0.043(3) Uani 0.496(15) 1 d PDU C 2
H21C H 0.7964 1.2485 0.2773 0.052 Uiso 0.496(15) 1 calc PR C 2
H21D H 0.8417 1.2347 0.3846 0.052 Uiso 0.496(15) 1 calc PR C 2
C22 C 0.976(3) 0.5945(18) 0.7155(18) 0.056(6) Uani 0.50 1 d PDU . .
C23 C 0.876(2) 0.579(2) 0.6080(19) 0.072(6) Uani 0.50 1 d PDU . .
H23A H 0.8464 0.5091 0.5656 0.086 Uiso 0.50 1 calc PR . .
H23B H 0.9267 0.6169 0.5780 0.086 Uiso 0.50 1 calc PR . .
C24 C 0.744(3) 0.615(2) 0.612(2) 0.066(6) Uani 0.50 1 d PDU . .
H24A H 0.7271 0.6623 0.5761 0.079 Uiso 0.50 1 calc PR . .
H24B H 0.6571 0.5595 0.5820 0.079 Uiso 0.50 1 calc PR . .
C25 C 0.786(3) 0.663(2) 0.722(2) 0.068(6) Uani 0.50 1 d PDU . .
H25A H 0.7718 0.7301 0.7351 0.081 Uiso 0.50 1 calc PR . .
H25B H 0.7192 0.6262 0.7432 0.081 Uiso 0.50 1 calc PR . .
C26 C 0.935(3) 0.671(2) 0.788(2) 0.069(6) Uani 0.50 1 d PDU . .
H26A H 0.9395 0.6537 0.8478 0.082 Uiso 0.50 1 calc PR . .
H26B H 0.9988 0.7372 0.8096 0.082 Uiso 0.50 1 calc PR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Pt1 O2 89.9(3) . . ?
N1 Pt1 N3 174.8(4) . . ?
O2 Pt1 N3 87.7(4) . . ?
N1 Pt1 N4 89.0(4) . . ?
O2 Pt1 N4 178.7(4) . . ?
N3 Pt1 N4 93.4(4) . . ?
N1 Pt1 C11 89.4(4) . . ?
O2 Pt1 C11 93.0(4) . . ?
N3 Pt1 C11 86.2(4) . . ?
N4 Pt1 C11 86.3(4) . . ?
N1 Pt1 Pt2 85.1(2) . . ?
O2 Pt1 Pt2 87.1(3) . . ?
N3 Pt1 Pt2 99.3(3) . . ?
N4 Pt1 Pt2 93.5(3) . . ?
C11 Pt1 Pt2 174.5(3) . . ?
N2 Pt2 O1 91.6(4) . . ?
N2 Pt2 N5 91.3(4) . . ?
O1 Pt2 N5 173.6(4) . . ?
N2 Pt2 N6 171.8(4) . . ?
O1 Pt2 N6 92.3(4) . . ?
N5 Pt2 N6 84.1(4) . . ?
N2 Pt2 Pt1 78.3(3) . . ?
O1 Pt2 Pt1 80.1(3) . . ?
N5 Pt2 Pt1 106.1(3) . . ?
N6 Pt2 Pt1 109.5(3) . . ?
C1 O1 Pt2 125.8(8) . . ?
C6 N2 Pt2 130.2(9) . . ?
C6 N2 H2 114.9 . . ?
Pt2 N2 H2 114.9 . . ?
Pt1 N3 H3D 109.5 . . ?
Pt1 N3 H3F 109.5 . . ?
H3D N3 H3F 109.5 . . ?
Pt1 N3 H3E 109.5 . . ?
H3D N3 H3E 109.5 . . ?
H3F N3 H3E 109.5 . . ?
Pt1 N4 H4F 109.5 . . ?
Pt1 N4 H4D 109.5 . . ?
H4F N4 H4D 109.5 . . ?
Pt1 N4 H4E 109.5 . . ?
H4F N4 H4E 109.5 . . ?
H4D N4 H4E 109.5 . . ?
C16' N5 Pt2 110.8(11) . . ?
C16 N5 Pt2 107.4(11) . . ?
C16' N5 H5A 131.0 . . ?
C16 N5 H5A 110.2 . . ?
Pt2 N5 H5A 110.2 . . ?
C16' N5 H5B 80.8 . . ?
C16 N5 H5B 110.2 . . ?
Pt2 N5 H5B 110.2 . . ?
H5A N5 H5B 108.5 . . ?
C17 N6 Pt2 106.4(8) . . ?
C17' N6 Pt2 107.3(8) . . ?
C17' N6 H6A 133.0 . . ?
Pt2 N6 H6A 110.4 . . ?
C17' N6 H6B 82.5 . . ?
Pt2 N6 H6B 110.4 . . ?
O6 N7 O4 126.0(13) . . ?
O6 N7 O5 119.0(11) . . ?
O4 N7 O5 115.0(11) . . ?
O8 N8 O7 151.8(16) . . ?
O8 N8 O9 103.6(11) . . ?
O7 N8 O9 100.6(11) . . ?
O10 N9 O12 122.6(10) . . ?
O10 N9 O11 121.0(11) . . ?
O12 N9 O11 116.4(10) . . ?
C1 N1 Pt1 120.2(7) . . ?
C1 N1 H1 119.9 . . ?
Pt1 N1 H1 119.9 . . ?
C6 O2 Pt1 117.6(7) . . ?
H13D O13 H13C 109.3 . . ?
O1 C1 N1 122.5(11) . . ?
O1 C1 C2 123.8(13) . . ?
N1 C1 C2 113.7(11) . . ?
C1 C2 C4 111.5(12) . . ?
C1 C2 C3 111.1(12) . . ?
C4 C2 C3 109.6(13) . . ?
C1 C2 C5 106.2(11) . . ?
C4 C2 C5 107.3(11) . . ?
C3 C2 C5 111.1(14) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5C 109.5 . . ?
C2 C5 H5D 109.5 . . ?
H5C C5 H5D 109.5 . . ?
C2 C5 H5E 109.5 . . ?
H5C C5 H5E 109.5 . . ?
H5D C5 H5E 109.5 . . ?
N2 C6 O2 122.9(11) . . ?
N2 C6 C7 123.5(12) . . ?
O2 C6 C7 113.6(10) . . ?
C8 C7 C6 110.0(11) . . ?
C8 C7 C10 111.3(11) . . ?
C6 C7 C10 106.7(10) . . ?
C8 C7 C9 109.9(12) . . ?
C6 C7 C9 110.0(10) . . ?
C10 C7 C9 108.9(13) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C12 C11 C15 105.7(11) . . ?
C12 C11 Pt1 108.8(8) . . ?
C15 C11 Pt1 114.1(9) . . ?
C12 C11 H11 109.4 . . ?
C15 C11 H11 109.4 . . ?
Pt1 C11 H11 109.4 . . ?
O3 C12 C11 126.4(12) . . ?
O3 C12 C13 125.1(13) . . ?
C11 C12 C13 108.4(12) . . ?
C14 C13 C12 104.4(11) . . ?
C14 C13 H13A 110.9 . . ?
C12 C13 H13A 110.9 . . ?
C14 C13 H13B 110.9 . . ?
C12 C13 H13B 110.9 . . ?
H13A C13 H13B 108.9 . . ?
C13 C14 C15 103.5(11) . . ?
C13 C14 H14A 111.1 . . ?
C15 C14 H14A 111.1 . . ?
C13 C14 H14B 111.1 . . ?
C15 C14 H14B 111.1 . . ?
H14A C14 H14B 109.0 . . ?
C11 C15 C14 102.4(10) . . ?
C11 C15 H15A 111.3 . . ?
C14 C15 H15A 111.3 . . ?
C11 C15 H15B 111.3 . . ?
C14 C15 H15B 111.3 . . ?
H15A C15 H15B 109.2 . . ?
C17 C16 N5 106.1(17) . . ?
C17 C16 C21 107.6(18) . . ?
N5 C16 C21 107.9(18) . . ?
C17 C16 H16 111.6 . . ?
N5 C16 H16 111.6 . . ?
C21 C16 H16 111.6 . . ?
N6 C17 C18 111.9(14) . . ?
N6 C17 C16 101.5(17) . . ?
C18 C17 C16 105.6(17) . . ?
N6 C17 H17 112.4 . . ?
C18 C17 H17 112.4 . . ?
C16 C17 H17 112.4 . . ?
C19 C18 C17 112.8(14) . . ?
C19 C18 H18A 109.0 . . ?
C17 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
C17 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C18 C19 C20 103.4(17) . . ?
C18 C19 H19A 111.1 . . ?
C20 C19 H19A 111.1 . . ?
C18 C19 H19B 111.1 . . ?
C20 C19 H19B 111.1 . . ?
H19A C19 H19B 109.0 . . ?
C19 C20 C21 111.8(18) . . ?
C19 C20 H20A 109.2 . . ?
C21 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
C21 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C20 C21 C16 102.7(17) . . ?
C20 C21 H21A 111.2 . . ?
C16 C21 H21A 111.2 . . ?
C20 C21 H21B 111.2 . . ?
C16 C21 H21B 111.2 . . ?
H21A C21 H21B 109.1 . . ?
N5 C16' C17' 102.1(17) . . ?
N5 C16' H16' 108.8 . . ?
C17' C16' H16' 108.8 . . ?
C16' C17' N6 111.0(19) . . ?
C16' C17' H17' 108.1 . . ?
N6 C17' H17' 108.1 . . ?
C20' C19' H19C 108.7 . . ?
C20' C19' H19D 108.7 . . ?
H19C C19' H19D 107.6 . . ?
C19' C20' H20C 111.4 . . ?
C19' C20' H20D 111.4 . . ?
H20C C20' H20D 109.2 . . ?
O14 C22 C23 128.5(18) . . ?
O14 C22 C26 121.2(18) . . ?
C23 C22 C26 107(2) . . ?
C22 C23 C24 109(2) . . ?
C22 C23 H23A 110.0 . . ?
C24 C23 H23A 110.0 . . ?
C22 C23 H23B 110.0 . . ?
C24 C23 H23B 110.0 . . ?
H23A C23 H23B 108.4 . . ?
C25 C24 C23 102(2) . . ?
C25 C24 H24A 111.3 . . ?
C23 C24 H24A 111.3 . . ?
C25 C24 H24B 111.3 . . ?
C23 C24 H24B 111.3 . . ?
H24A C24 H24B 109.2 . . ?
C26 C25 C24 116(2) . . ?
C26 C25 H25A 108.4 . . ?
C24 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C24 C25 H25B 108.4 . . ?
H25A C25 H25B 107.4 . . ?
C25 C26 C22 101(2) . . ?
C25 C26 H26A 111.5 . . ?
C22 C26 H26A 111.5 . . ?
C25 C26 H26B 111.5 . . ?
C22 C26 H26B 111.5 . . ?
H26A C26 H26B 109.3 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 N1 1.999(8) . ?
Pt1 O2 2.006(8) . ?
Pt1 N3 2.019(9) . ?
Pt1 N4 2.027(9) . ?
Pt1 C11 2.132(12) . ?
Pt1 Pt2 2.7157(8) . ?
Pt2 N2 1.984(9) . ?
Pt2 O1 1.999(9) . ?
Pt2 N5 2.022(10) . ?
Pt2 N6 2.054(9) . ?
O1 C1 1.295(16) . ?
N2 C6 1.274(15) . ?
N2 H2 0.8800 . ?
N3 H3D 0.9100 . ?
N3 H3F 0.9100 . ?
N3 H3E 0.9100 . ?
N4 H4F 0.9100 . ?
N4 H4D 0.9100 . ?
N4 H4E 0.9100 . ?
N5 C16' 1.51(3) . ?
N5 C16 1.55(3) . ?
N5 H5A 0.9200 . ?
N5 H5B 0.9200 . ?
N6 C17 1.500(17) . ?
N6 C17' 1.54(3) . ?
N6 H6A 0.9200 . ?
N6 H6B 0.9200 . ?
N7 O6 1.183(12) . ?
N7 O4 1.249(11) . ?
N7 O5 1.253(11) . ?
N8 O8 1.106(12) . ?
N8 O7 1.179(12) . ?
N8 O9 1.448(13) . ?
N9 O10 1.219(13) . ?
N9 O12 1.257(14) . ?
N9 O11 1.294(12) . ?
N1 C1 1.310(16) . ?
N1 H1 0.8800 . ?
O2 C6 1.303(15) . ?
O3 C12 1.210(16) . ?
O13 H13D 0.9900 . ?
O13 H13C 0.9917 . ?
O14 C22 1.231(16) . ?
C1 C2 1.509(16) . ?
C2 C4 1.515(19) . ?
C2 C3 1.52(2) . ?
C2 C5 1.56(2) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5C 0.9800 . ?
C5 H5D 0.9800 . ?
C5 H5E 0.9800 . ?
C6 C7 1.543(17) . ?
C7 C8 1.50(2) . ?
C7 C10 1.544(19) . ?
C7 C9 1.57(2) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C12 1.486(18) . ?
C11 C15 1.523(17) . ?
C11 H11 1.0000 . ?
C12 C13 1.522(18) . ?
C13 C14 1.49(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.551(14) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.541(18) . ?
C16 C21 1.58(3) . ?
C16 H16 1.0000 . ?
C17 C18 1.535(17) . ?
C17 H17 1.0000 . ?
C18 C19 1.534(13) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.548(18) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.573(17) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C16' C17' 1.540(18) . ?
C16' H16' 1.0000 . ?
C17' H17' 1.0000 . ?
C19' C20' 1.543(18) . ?
C19' H19C 0.9900 . ?
C19' H19D 0.9900 . ?
C20' H20C 0.9900 . ?
C20' H20D 0.9900 . ?
C22 C23 1.524(17) . ?
C22 C26 1.532(18) . ?
C23 C24 1.529(18) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.488(19) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.487(19) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O13 H13D O12 0.99 1.89 2.821(16) 154.7 2_666
N6 H6B O4 0.92 2.44 3.313(15) 157.6 1_565
N6 H6A O13 0.92 2.00 2.797(17) 144.5 1_565
N5 H5B O7 0.92 2.08 2.984(19) 165.7 2_676
N5 H5A O11 0.92 2.62 3.232(14) 124.6 2_776
N5 H5A O12 0.92 2.10 2.990(14) 163.9 2_776
N4 H4D O5 0.91 2.05 2.938(14) 163.7 1_565
N4 H4F O4 0.91 2.14 2.955(14) 148.7 2_666
N3 H3E O11 0.91 2.26 2.945(14) 131.2 2_776
N3 H3E O5 0.91 2.26 2.924(12) 129.7 1_565
N3 H3D O12 0.91 2.47 3.101(16) 127.1 2_776
N2 H2 O7 0.88 2.19 2.995(19) 152.5 1_554
N4 H4E O3 0.91 2.04 2.823(15) 143.9 .
N3 H3F O11 0.91 2.06 2.928(14) 159.4 .
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
N1 Pt1 Pt2 N2 -76.2(4) . . . . ?
O2 Pt1 Pt2 N2 13.9(4) . . . . ?
N3 Pt1 Pt2 N2 101.1(4) . . . . ?
N4 Pt1 Pt2 N2 -164.9(4) . . . . ?
N1 Pt1 Pt2 O1 17.6(4) . . . . ?
O2 Pt1 Pt2 O1 107.7(4) . . . . ?
N3 Pt1 Pt2 O1 -165.1(4) . . . . ?
N4 Pt1 Pt2 O1 -71.1(4) . . . . ?
N1 Pt1 Pt2 N5 -164.1(4) . . . . ?
O2 Pt1 Pt2 N5 -74.0(4) . . . . ?
N3 Pt1 Pt2 N5 13.2(4) . . . . ?
N4 Pt1 Pt2 N5 107.2(4) . . . . ?
N1 Pt1 Pt2 N6 106.5(4) . . . . ?
O2 Pt1 Pt2 N6 -163.4(4) . . . . ?
N3 Pt1 Pt2 N6 -76.2(4) . . . . ?
N4 Pt1 Pt2 N6 17.8(4) . . . . ?
N2 Pt2 O1 C1 54.2(11) . . . . ?
N6 Pt2 O1 C1 -133.0(10) . . . . ?
Pt1 Pt2 O1 C1 -23.6(10) . . . . ?
O1 Pt2 N2 C6 -96.3(12) . . . . ?
Pt1 Pt2 N2 C6 -16.8(11) . . . . ?
N2 Pt2 N5 C16' 148.0(14) . . . . ?
N6 Pt2 N5 C16' -25.2(14) . . . . ?
Pt1 Pt2 N5 C16' -133.8(14) . . . . ?
N2 Pt2 N5 C16 -179.4(14) . . . . ?
N6 Pt2 N5 C16 7.4(13) . . . . ?
Pt1 Pt2 N5 C16 -101.3(13) . . . . ?
O1 Pt2 N6 C17 -147.7(12) . . . . ?
Pt1 Pt2 N6 C17 132.0(12) . . . . ?
O1 Pt2 N6 C17' -179.3(13) . . . . ?
Pt1 Pt2 N6 C17' 100.5(12) . . . . ?
O2 Pt1 N1 C1 -106.1(9) . . . . ?
N4 Pt1 N1 C1 74.6(9) . . . . ?
C11 Pt1 N1 C1 160.9(9) . . . . ?
Pt2 Pt1 N1 C1 -19.0(8) . . . . ?
N1 Pt1 O2 C6 67.9(9) . . . . ?
N3 Pt1 O2 C6 -116.7(9) . . . . ?
C11 Pt1 O2 C6 157.2(9) . . . . ?
Pt2 Pt1 O2 C6 -17.3(8) . . . . ?
Pt2 O1 C1 N1 16.9(17) . . . . ?
Pt2 O1 C1 C2 -164.5(10) . . . . ?
Pt1 N1 C1 O1 8.2(16) . . . . ?
Pt1 N1 C1 C2 -170.6(8) . . . . ?
O1 C1 C2 C4 -0.9(19) . . . . ?
N1 C1 C2 C4 177.8(12) . . . . ?
O1 C1 C2 C3 -123.4(15) . . . . ?
N1 C1 C2 C3 55.3(16) . . . . ?
O1 C1 C2 C5 115.7(14) . . . . ?
N1 C1 C2 C5 -65.6(15) . . . . ?
Pt2 N2 C6 O2 8.6(19) . . . . ?
Pt2 N2 C6 C7 -168.3(9) . . . . ?
Pt1 O2 C6 N2 11.3(16) . . . . ?
Pt1 O2 C6 C7 -171.5(8) . . . . ?
N2 C6 C7 C8 -139.4(13) . . . . ?
O2 C6 C7 C8 43.4(14) . . . . ?
N2 C6 C7 C10 99.7(14) . . . . ?
O2 C6 C7 C10 -77.5(14) . . . . ?
N2 C6 C7 C9 -18.3(19) . . . . ?
O2 C6 C7 C9 164.5(12) . . . . ?
N1 Pt1 C11 C12 -27.0(9) . . . . ?
O2 Pt1 C11 C12 -116.9(9) . . . . ?
N3 Pt1 C11 C12 155.7(9) . . . . ?
N4 Pt1 C11 C12 62.0(9) . . . . ?
N1 Pt1 C11 C15 90.7(8) . . . . ?
O2 Pt1 C11 C15 0.8(8) . . . . ?
N3 Pt1 C11 C15 -86.6(9) . . . . ?
N4 Pt1 C11 C15 179.7(9) . . . . ?
C15 C11 C12 O3 168.7(14) . . . . ?
Pt1 C11 C12 O3 -68.4(16) . . . . ?
C15 C11 C12 C13 -9.4(14) . . . . ?
Pt1 C11 C12 C13 113.5(10) . . . . ?
O3 C12 C13 C14 166.2(14) . . . . ?
C11 C12 C13 C14 -15.7(15) . . . . ?
C12 C13 C14 C15 33.9(15) . . . . ?
C12 C11 C15 C14 29.7(14) . . . . ?
Pt1 C11 C15 C14 -89.8(12) . . . . ?
C13 C14 C15 C11 -39.6(15) . . . . ?
C16' N5 C16 C17 62(2) . . . . ?
Pt2 N5 C16 C17 -40(2) . . . . ?
C16' N5 C16 C21 -53(3) . . . . ?
Pt2 N5 C16 C21 -154.9(12) . . . . ?
C17' N6 C17 C18 -70(2) . . . . ?
Pt2 N6 C17 C18 -166.4(13) . . . . ?
C17' N6 C17 C16 42.1(19) . . . . ?
Pt2 N6 C17 C16 -54.1(18) . . . . ?
N5 C16 C17 N6 62(2) . . . . ?
C21 C16 C17 N6 176.8(16) . . . . ?
N5 C16 C17 C18 178.5(16) . . . . ?
C21 C16 C17 C18 -66(2) . . . . ?
N6 C17 C18 C19 175.1(17) . . . . ?
C16 C17 C18 C19 65(2) . . . . ?
C17 C18 C19 C20 -62(2) . . . . ?
C18 C19 C20 C21 63(3) . . . . ?
C19 C20 C21 C16 -67(2) . . . . ?
C17 C16 C21 C20 66(2) . . . . ?
N5 C16 C21 C20 -179.6(16) . . . . ?
C16 N5 C16' C17' -42(2) . . . . ?
Pt2 N5 C16' C17' 47(2) . . . . ?
N5 C16' C17' N6 -52(3) . . . . ?
C17 N6 C17' C16' -60(2) . . . . ?
Pt2 N6 C17' C16' 33(2) . . . . ?
O14 C22 C23 C24 180(3) . . . . ?
C26 C22 C23 C24 -20(3) . . . . ?
C22 C23 C24 C25 9(3) . . . . ?
C23 C24 C25 C26 6(4) . . . . ?
C24 C25 C26 C22 -18(4) . . . . ?
O14 C22 C26 C25 -176(3) . . . . ?
C23 C22 C26 C25 22(3) . . . . ?
