#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/40/4304056.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_4304056
loop_
_publ_author_name
'Qing-Fu Sun'
'Keith Man-Chung Wong'
'Li-Xia Liu'
'Hai-Ping Huang'
'Shu-Yan Yu'
'Vivian Wing-Wah Yam'
'Yi-Zhi Li'
'Yuan-Jiang Pan'
'Kai-Chao Yu'
_publ_contact_author_address
;
  Laboratory for Self-Assembly Chemistry
  Department of Chemistry 
  Renmin University of China 
  Beijing 100872 
  People's Republic of China
;
_publ_contact_author_email       yusy@chem.ruc.edu.cn
_publ_contact_author_name        'Shu-Yan Yu '
_publ_section_title
;
Self-Assembly, Structures, and Photophysical Properties of
4,4'-Bipyrazolate-Linked Metallo-Macrocycles with Dimetal Clips
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2142
_journal_page_last               2154
_journal_paper_doi               10.1021/ic701344p
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C78 H84 N30 O30 Pt6'
_chemical_formula_weight         3092.29
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 120.374(15)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.7736(12)
_cell_length_b                   29.8901(13)
_cell_length_c                   19.4796(12)
_cell_measurement_temperature    291(2)
_cell_volume                     12947(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Smart Apex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0797
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            24092
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.14
_exptl_absorpt_coefficient_mu    6.529
_exptl_absorpt_correction_T_max  0.21
_exptl_absorpt_correction_T_min  0.15
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5880
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.088
_refine_diff_density_min         -2.427
_refine_diff_density_rms         0.154
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         12905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1141
_refine_ls_R_factor_gt           0.0654
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.08P)²+1.99P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1488
_refine_ls_wR_factor_ref         0.1627
_reflns_number_gt                7922
_reflns_number_total             12905
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701344p-file004_3.cif
_cod_data_source_block           3b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-C 2y '
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4304056
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, 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
C1 C 0.3060(5) 0.2691(4) 0.4074(6) 0.051(2) Uani 1 1 d . . .
H1 H 0.2907 0.2794 0.3557 0.061 Uiso 1 1 calc R . .
C2 C 0.3389(5) 0.2292(4) 0.4331(6) 0.058(3) Uani 1 1 d . . .
H2 H 0.3465 0.2136 0.3977 0.070 Uiso 1 1 calc R . .
C3 C 0.3602(5) 0.2124(4) 0.5070(7) 0.065(3) Uani 1 1 d . . .
H3 H 0.3814 0.1856 0.5226 0.078 Uiso 1 1 calc R . .
C4 C 0.3490(5) 0.2371(4) 0.5586(6) 0.055(3) Uani 1 1 d . . .
H4 H 0.3614 0.2266 0.6095 0.066 Uiso 1 1 calc R . .
C5 C 0.3190(5) 0.2778(4) 0.5332(7) 0.060(3) Uani 1 1 d . . .
C6 C 0.3053(5) 0.3051(4) 0.5809(6) 0.056(3) Uani 1 1 d . . .
C7 C 0.3265(5) 0.2974(4) 0.6642(6) 0.066(3) Uani 1 1 d . . .
H7 H 0.3505 0.2729 0.6904 0.080 Uiso 1 1 calc R . .
C8 C 0.3103(5) 0.3273(4) 0.7038(7) 0.063(3) Uani 1 1 d . . .
H8 H 0.3237 0.3229 0.7575 0.075 Uiso 1 1 calc R . .
C9 C 0.2747(6) 0.3635(4) 0.6655(7) 0.067(3) Uani 1 1 d . . .
H9 H 0.2657 0.3845 0.6931 0.080 Uiso 1 1 calc R . .
C10 C 0.2524(5) 0.3680(4) 0.5841(7) 0.062(3) Uani 1 1 d . . .
H10 H 0.2241 0.3901 0.5560 0.075 Uiso 1 1 calc R . .
C11 C 0.0227(5) 0.3638(4) 0.3323(7) 0.061(3) Uani 1 1 d . . .
H11 H 0.0486 0.3868 0.3623 0.073 Uiso 1 1 calc R . .
C12 C -0.0272(6) 0.3562(4) 0.3390(7) 0.065(3) Uani 1 1 d . . .
H12 H -0.0342 0.3730 0.3737 0.078 Uiso 1 1 calc R . .
C13 C -0.0664(5) 0.3230(3) 0.2933(7) 0.061(3) Uani 1 1 d . . .
H13 H -0.1007 0.3170 0.2961 0.073 Uiso 1 1 calc R . .
C14 C -0.0538(6) 0.2990(4) 0.2435(7) 0.067(3) Uani 1 1 d . . .
H14 H -0.0806 0.2771 0.2107 0.080 Uiso 1 1 calc R . .
C15 C 0.0012(4) 0.3074(3) 0.2415(8) 0.061(3) Uani 1 1 d . . .
C16 C 0.0189(5) 0.2829(4) 0.1961(7) 0.061(3) Uani 1 1 d . . .
C17 C -0.0096(5) 0.2455(4) 0.1448(6) 0.061(3) Uani 1 1 d . . .
H17 H -0.0456 0.2350 0.1390 0.074 Uiso 1 1 calc R . .
C18 C 0.0149(5) 0.2237(4) 0.1018(7) 0.058(3) Uani 1 1 d . . .
H18 H -0.0052 0.2000 0.0674 0.070 Uiso 1 1 calc R . .
C19 C 0.0685(5) 0.2387(3) 0.1132(6) 0.047(2) Uani 1 1 d . . .
H19 H 0.0860 0.2250 0.0871 0.057 Uiso 1 1 calc R . .
C20 C 0.0973(5) 0.2749(4) 0.1646(6) 0.060(3) Uani 1 1 d . . .
H20 H 0.1343 0.2843 0.1724 0.072 Uiso 1 1 calc R . .
C21 C 0.2162(5) 0.4461(3) 0.4306(6) 0.052(2) Uani 1 1 d . . .
H21 H 0.2542 0.4551 0.4703 0.062 Uiso 1 1 calc R . .
C22 C 0.1670(5) 0.4750(3) 0.3866(6) 0.060(3) Uani 1 1 d . . .
C23 C 0.1229(5) 0.4477(3) 0.3312(7) 0.065(3) Uani 1 1 d . . .
H23 H 0.0858 0.4573 0.2898 0.077 Uiso 1 1 calc R . .
C24 C 0.2756(6) 0.3742(4) 0.3017(7) 0.060(3) Uani 1 1 d . . .
H24 H 0.3167 0.3776 0.3359 0.072 Uiso 1 1 calc R . .
C25 C 0.2425(5) 0.3870(4) 0.2208(6) 0.053(3) Uani 1 1 d . . .
C26 C 0.1825(5) 0.3777(3) 0.1962(7) 0.062(3) Uani 1 1 d . . .
H26 H 0.1494 0.3841 0.1466 0.075 Uiso 1 1 calc R . .
C27 C 0.3202(6) 0.4282(4) 0.2043(7) 0.065(3) Uani 1 1 d . . .
H27 H 0.3534 0.4217 0.2538 0.078 Uiso 1 1 calc R . .
C28 C 0.2643(6) 0.4125(4) 0.1784(6) 0.066(3) Uani 1 1 d . . .
C29 C 0.2321(6) 0.4297(4) 0.1010(6) 0.066(4) Uani 1 1 d . . .
H29 H 0.1916 0.4241 0.0655 0.080 Uiso 1 1 calc R . .
C30 C 0.4962(6) 0.4748(4) 0.1825(8) 0.070(3) Uani 1 1 d . . .
C31 C 0.5441(5) 0.4492(4) 0.1925(6) 0.056(3) Uani 1 1 d . . .
H31 H 0.5781 0.4636 0.1982 0.068 Uiso 1 1 calc R . .
C32 C 0.5435(5) 0.4027(4) 0.1944(7) 0.065(3) Uani 1 1 d . . .
H32 H 0.5759 0.3849 0.2029 0.077 Uiso 1 1 calc R . .
C33 C 0.4887(5) 0.3855(4) 0.1821(6) 0.057(3) Uani 1 1 d . . .
H33 H 0.4837 0.3546 0.1811 0.069 Uiso 1 1 calc R . .
C34 C 0.4429(6) 0.4124(4) 0.1716(7) 0.067(3) Uani 1 1 d . . .
H34 H 0.4075 0.3995 0.1640 0.081 Uiso 1 1 calc R . .
C35 C 0.2275(5) 0.4123(4) -0.0830(7) 0.071(4) Uani 1 1 d . . .
H35 H 0.2422 0.4000 -0.0326 0.085 Uiso 1 1 calc R . .
C36 C 0.2108(5) 0.3832(4) -0.1468(7) 0.059(3) Uani 1 1 d . . .
H36 H 0.2159 0.3525 -0.1383 0.071 Uiso 1 1 calc R . .
C37 C 0.1871(6) 0.4002(4) -0.2213(7) 0.069(3) Uani 1 1 d . . .
H37 H 0.1731 0.3814 -0.2652 0.083 Uiso 1 1 calc R . .
C38 C 0.1841(5) 0.4470(4) -0.2308(7) 0.065(3) Uani 1 1 d . . .
H38 H 0.1706 0.4588 -0.2813 0.078 Uiso 1 1 calc R . .
C39 C 0.2009(5) 0.4771(4) -0.1663(6) 0.055(3) Uani 1 1 d . . .
N1 N 0.2975(4) 0.2921(3) 0.4606(5) 0.060(2) Uani 1 1 d . . .
N2 N 0.2700(4) 0.3426(3) 0.5473(5) 0.051(2) Uani 1 1 d . . .
N3 N 0.2374(4) 0.3566(3) 0.3192(5) 0.055(2) Uani 1 1 d . . .
N4 N 0.2001(4) 0.4048(3) 0.4072(5) 0.058(2) Uani 1 1 d . . .
N5 N 0.0357(4) 0.3411(2) 0.2873(6) 0.050(2) Uani 1 1 d . . .
N6 N 0.0729(4) 0.2976(3) 0.2044(5) 0.056(2) Uani 1 1 d . . .
N7 N 0.1807(4) 0.3574(3) 0.2579(5) 0.056(2) Uani 1 1 d . . .
N8 N 0.1416(4) 0.4052(3) 0.3461(5) 0.052(2) Uani 1 1 d . . .
N9 N 0.3221(4) 0.4548(3) 0.1489(5) 0.052(2) Uani 1 1 d . . .
N10 N 0.2676(5) 0.4554(3) 0.0848(6) 0.059(2) Uani 1 1 d . . .
N11 N 0.4476(4) 0.4572(3) 0.1718(5) 0.055(2) Uani 1 1 d . . .
N12 N 0.2238(4) 0.4563(3) -0.0897(5) 0.057(2) Uani 1 1 d . . .
N13 N 0.1072(4) 0.4102(4) 0.5502(6) 0.069(3) Uani 1 1 d . . .
N14 N 0.2499(5) 0.2669(3) 0.8119(6) 0.059(2) Uani 1 1 d . . .
N15 N 0.4507(5) 0.6299(4) 0.4123(7) 0.068(3) Uani 1 1 d . . .
O1 O 0.1047(4) 0.3710(3) 0.5676(5) 0.070(2) Uani 1 1 d . . .
O2 O 0.1202(3) 0.4193(3) 0.4975(5) 0.061(2) Uani 1 1 d . . .
O3 O 0.0925(3) 0.4410(2) 0.5805(4) 0.0544(17) Uani 1 1 d . . .
O4 O 0.2643(4) 0.2325(3) 0.7884(5) 0.064(2) Uani 1 1 d . . .
O5 O 0.2057(4) 0.2892(3) 0.7596(4) 0.062(2) Uani 1 1 d . . .
O6 O 0.2860(3) 0.2851(2) 0.8738(4) 0.0557(18) Uani 1 1 d . . .
O7 O 0.4313(4) 0.6464(3) 0.4498(5) 0.072(2) Uani 1 1 d . . .
O8 O 0.4716(4) 0.6535(3) 0.3785(5) 0.065(2) Uani 1 1 d . . .
O9 O 0.4475(3) 0.5889(3) 0.4080(5) 0.068(2) Uani 1 1 d . . .
O10 O 0.2235(6) 0.5000 0.2614(7) 0.056(3) Uani 0.80 2 d SP . .
H10D H 0.2330 0.4732 0.2777 0.067 Uiso 0.40 1 d PR . .
H10A H 0.1898 0.5064 0.2569 0.067 Uiso 0.40 1 d PR . .
O11 O 0.0000 0.6330(4) 1.0000 0.062(4) Uani 0.80 2 d SP . .
H11A H 0.0124 0.6598 1.0055 0.074 Uiso 0.40 1 d PR . .
H11B H -0.0115 0.6241 0.9530 0.074 Uiso 0.40 1 d PR . .
O12 O 0.5000 0.7609(7) 0.5000 0.058(4) Uani 0.60 2 d SP . .
H12A H 0.5021 0.7891 0.4965 0.069 Uiso 0.30 1 d PR . .
H12B H 0.5065 0.7542 0.5461 0.069 Uiso 0.30 1 d PR . .
O13 O 0.9854(8) 0.5000 0.3836(12) 0.068(5) Uani 0.60 2 d SP . .
H13A H 0.9594 0.5139 0.3898 0.082 Uiso 0.30 1 d PR . .
H13B H 0.9823 0.4721 0.3890 0.082 Uiso 0.30 1 d PR . .
O14 O 0.5501(6) 0.5000 0.4120(9) 0.049(4) Uani 0.60 2 d SP . .
H14A H 0.5360 0.4736 0.4044 0.059 Uiso 0.30 1 d PR . .
H14B H 0.5578 0.5092 0.4575 0.059 Uiso 0.30 1 d PR . .
O15 O 0.3060(9) 0.5000 0.3534(11) 0.065(5) Uani 0.60 2 d SP . .
H15B H 0.2847 0.5232 0.3457 0.078 Uiso 0.30 1 d PR . .
H15C H 0.2847 0.4768 0.3457 0.078 Uiso 0.30 1 d PR . .
O16 O 0.6751(5) 0.5000 0.2920(8) 0.054(3) Uani 0.80 2 d SP . .
H16B H 0.6744 0.5232 0.2663 0.081 Uiso 0.40 1 d PR . .
H16C H 0.6813 0.5077 0.3376 0.081 Uiso 0.40 1 d PR . .
O17 O 0.0648(6) 0.5000 0.0415(8) 0.056(3) Uani 0.80 2 d SP . .
H17A H 0.0445 0.5000 -0.0090 0.067 Uiso 0.80 2 d SPR . .
H17B H 0.0564 0.5232 0.0591 0.067 Uiso 0.40 1 d PR . .
O18 O 0.3895(5) 0.5000 0.9464(8) 0.052(3) Uani 0.80 2 d SP . .
H18B H 0.4114 0.4768 0.9641 0.062 Uiso 0.40 1 d PR . .
H18C H 0.4114 0.5232 0.9641 0.062 Uiso 0.40 1 d PR . .
O19 O 0.3611(8) 0.6746(6) 0.2327(10) 0.060(5) Uani 0.40 1 d P . .
H19A H 0.3898 0.6930 0.2456 0.072 Uiso 0.40 1 d PR . .
H19B H 0.3642 0.6532 0.2063 0.072 Uiso 0.40 1 d PR . .
O20 O 0.9740(11) 0.5609(8) 0.1528(17) 0.094(8) Uani 0.40 1 d P . .
H20B H 1.0050 0.5722 0.1923 0.113 Uiso 0.40 1 d PR . .
H20A H 0.9782 0.5327 0.1525 0.113 Uiso 0.40 1 d PR . .
O21 O 0.5970(7) 0.6066(6) 0.4247(12) 0.057(5) Uani 0.40 1 d P . .
H21A H 0.6138 0.5980 0.4729 0.068 Uiso 0.40 1 d PR . .
H21B H 0.5871 0.6339 0.4216 0.068 Uiso 0.40 1 d PR . .
O22 O 0.7652(8) 0.5311(5) 0.3620(11) 0.054(5) Uani 0.40 1 d P . .
H22A H 0.7652 0.5000 0.3620 0.065 Uiso 0.80 2 d SPR . .
H22B H 0.7328 0.5406 0.3223 0.081 Uiso 0.40 1 d PR . .
O23 O 0.3786(8) 0.6149(7) 0.9059(13) 0.073(6) Uani 0.40 1 d P . .
H23A H 0.3930 0.5973 0.9456 0.088 Uiso 0.40 1 d PR . .
H23B H 0.3834 0.6418 0.9221 0.088 Uiso 0.40 1 d PR . .
O24 O 0.3177(10) 0.6868(7) 0.0495(12) 0.075(6) Uani 0.40 1 d P . .
H24A H 0.2842 0.6992 0.0183 0.089 Uiso 0.40 1 d PR . .
H24B H 0.3462 0.7034 0.0545 0.089 Uiso 0.40 1 d PR . .
O25 O 0.1513(6) 0.6943(6) 0.0016(9) 0.044(4) Uani 0.40 1 d P . .
H25A H 0.1280 0.6988 -0.0478 0.053 Uiso 0.40 1 d PR . .
H25B H 0.1418 0.6698 0.0148 0.053 Uiso 0.40 1 d PR . .
Pt1 Pt 0.24973(2) 0.349264(15) 0.43218(3) 0.06366(15) Uani 1 1 d . . .
Pt2 Pt 0.10862(2) 0.351138(15) 0.27447(3) 0.06265(15) Uani 1 1 d . . .
Pt3 Pt 0.38357(3) 0.5000 0.15991(4) 0.05977(18) Uani 1 2 d S . .
Pt4 Pt 0.24590(3) 0.5000 -0.00186(4) 0.05150(16) Uani 1 2 d S . .
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 C1 C2 117.6(9) . . ?
N1 C1 H1 121.2 . . ?
C2 C1 H1 121.2 . . ?
C3 C2 C1 122.9(11) . . ?
C3 C2 H2 118.6 . . ?
C1 C2 H2 118.6 . . ?
C2 C3 C4 116.9(10) . . ?
C2 C3 H3 121.6 . . ?
C4 C3 H3 121.6 . . ?
C5 C4 C3 119.2(10) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
N1 C5 C4 121.9(11) . . ?
N1 C5 C6 114.4(10) . . ?
C4 C5 C6 123.5(10) . . ?
N2 C6 C5 118.8(9) . . ?
N2 C6 C7 116.5(10) . . ?
C5 C6 C7 124.7(10) . . ?
C8 C7 C6 118.5(10) . . ?
C8 C7 H7 120.7 . . ?
C6 C7 H7 120.7 . . ?
C9 C8 C7 121.0(11) . . ?
C9 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
C8 C9 C10 118.4(12) . . ?
C8 C9 H9 120.8 . . ?
C10 C9 H9 120.8 . . ?
N2 C10 C9 121.5(11) . . ?
N2 C10 H10 119.2 . . ?
C9 C10 H10 119.2 . . ?
N5 C11 C12 124.0(12) . . ?
N5 C11 H11 118.0 . . ?
C12 C11 H11 118.0 . . ?
C13 C12 C11 118.3(12) . . ?
C13 C12 H12 120.9 . . ?
C11 C12 H12 120.9 . . ?
C14 C13 C12 118.5(12) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C13 C14 C15 120.6(11) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
N5 C15 C16 119.9(10) . . ?
N5 C15 C14 116.0(11) . . ?
C16 C15 C14 124.1(11) . . ?
N6 C16 C15 113.0(11) . . ?
N6 C16 C17 117.3(10) . . ?
C15 C16 C17 129.7(11) . . ?
C16 C17 C18 122.7(11) . . ?
C16 C17 H17 118.6 . . ?
C18 C17 H17 118.6 . . ?
C19 C18 C17 117.7(10) . . ?
C19 C18 H18 121.2 . . ?
C17 C18 H18 121.2 . . ?
C18 C19 C20 119.9(10) . . ?
C18 C19 H19 120.0 . . ?
C20 C19 H19 120.0 . . ?
N6 C20 C19 123.0(10) . . ?
N6 C20 H20 118.5 . . ?
C19 C20 H20 118.5 . . ?
N4 C21 C22 109.6(10) . . ?
N4 C21 H21 125.2 . . ?
C22 C21 H21 125.2 . . ?
C23 C22 C21 104.4(9) . . ?
C23 C22 C22 126.4(6) . 6_565 ?
C21 C22 C22 127.7(6) . 6_565 ?
N8 C23 C22 109.2(10) . . ?
N8 C23 H23 125.4 . . ?
C22 C23 H23 125.4 . . ?
N3 C24 C25 107.0(10) . . ?
N3 C24 H24 126.5 . . ?
C25 C24 H24 126.5 . . ?
C26 C25 C24 105.4(10) . . ?
C26 C25 C28 126.8(11) . . ?
C24 C25 C28 126.7(11) . . ?
N7 C26 C25 108.1(9) . . ?
N7 C26 H26 125.9 . . ?
C25 C26 H26 125.9 . . ?
C28 C27 N9 111.6(10) . . ?
C28 C27 H27 124.2 . . ?
N9 C27 H27 124.2 . . ?
C27 C28 C29 102.3(11) . . ?
C27 C28 C25 128.9(10) . . ?
C29 C28 C25 128.7(13) . . ?
N10 C29 C28 111.0(12) . . ?
N10 C29 H29 124.5 . . ?
C28 C29 H29 124.5 . . ?
N11 C30 C31 122.0(11) . . ?
N11 C30 C30 114.4(7) . 6_565 ?
C31 C30 C30 123.6(7) . 6_565 ?
C30 C31 C32 122.4(11) . . ?
C30 C31 H31 118.8 . . ?
C32 C31 H31 118.8 . . ?
C31 C32 C33 112.7(11) . . ?
C31 C32 H32 123.7 . . ?
C33 C32 H32 123.7 . . ?
C34 C33 C32 122.1(12) . . ?
C34 C33 H33 118.9 . . ?
C32 C33 H33 118.9 . . ?
N11 C34 C33 121.4(13) . . ?
N11 C34 H34 119.3 . . ?
C33 C34 H34 119.3 . . ?
N12 C35 C36 124.0(11) . . ?
N12 C35 H35 118.0 . . ?
C36 C35 H35 118.0 . . ?
C37 C36 C35 119.2(11) . . ?
C37 C36 H36 120.4 . . ?
C35 C36 H36 120.4 . . ?
C36 C37 C38 118.5(11) . . ?
C36 C37 H37 120.7 . . ?
C38 C37 H37 120.7 . . ?
C37 C38 C39 122.7(10) . . ?
C37 C38 H38 118.7 . . ?
C39 C38 H38 118.7 . . ?
C39 C39 C38 129.1(6) 6_565 . ?
C39 C39 N12 115.6(6) 6_565 . ?
C38 C39 N12 115.2(9) . . ?
C5 N1 C1 121.4(10) . . ?
C5 N1 Pt1 116.3(8) . . ?
C1 N1 Pt1 122.3(6) . . ?
C10 N2 C6 123.5(9) . . ?
C10 N2 Pt1 126.4(7) . . ?
C6 N2 Pt1 110.0(7) . . ?
C24 N3 N7 112.7(9) . . ?
C24 N3 Pt1 126.3(8) . . ?
N7 N3 Pt1 117.5(7) . . ?
C21 N4 N8 108.2(9) . . ?
C21 N4 Pt1 130.3(8) . . ?
N8 N4 Pt1 120.3(7) . . ?
C11 N5 C15 122.6(10) . . ?
C11 N5 Pt2 125.6(8) . . ?
C15 N5 Pt2 111.8(7) . . ?
C16 N6 C20 119.3(10) . . ?
C16 N6 Pt2 114.9(8) . . ?
C20 N6 Pt2 125.8(8) . . ?
N3 N7 C26 106.6(9) . . ?
N3 N7 Pt2 121.7(7) . . ?
C26 N7 Pt2 127.9(7) . . ?
C23 N8 N4 108.2(9) . . ?
C23 N8 Pt2 129.1(7) . . ?
N4 N8 Pt2 119.3(7) . . ?
N10 N9 C27 108.0(9) . . ?
N10 N9 Pt3 119.6(7) . . ?
C27 N9 Pt3 130.5(8) . . ?
N9 N10 C29 107.1(9) . . ?
N9 N10 Pt4 121.0(7) . . ?
C29 N10 Pt4 130.2(8) . . ?
C30 N11 C34 119.3(11) . . ?
C30 N11 Pt3 116.0(8) . . ?
C34 N11 Pt3 124.6(8) . . ?
C35 N12 C39 120.3(10) . . ?
C35 N12 Pt4 126.3(8) . . ?
C39 N12 Pt4 113.4(6) . . ?
O1 N13 O3 120.1(11) . . ?
O1 N13 O2 120.2(11) . . ?
O3 N13 O2 119.5(11) . . ?
O6 N14 O4 120.6(10) . . ?
O6 N14 O5 119.1(9) . . ?
O4 N14 O5 116.7(9) . . ?
O7 N15 O9 115.2(13) . . ?
O7 N15 O8 121.0(10) . . ?
O9 N15 O8 123.9(12) . . ?
H10D O10 H10A 109.8 . . ?
H11A O11 H11B 109.5 . . ?
H12A O12 H12B 109.5 . . ?
H13A O13 H13B 109.5 . . ?
H14A O14 H14B 109.5 . . ?
H15B O15 H15C 109.5 . . ?
H16B O16 H16C 109.5 . . ?
H17A O17 H17B 109.5 . . ?
H18B O18 H18C 109.5 . . ?
H19A O19 H19B 109.5 . . ?
H20B O20 H20A 109.5 . . ?
H21A O21 H21B 109.5 . . ?
H22A O22 H22B 109.5 . . ?
H23A O23 H23B 109.5 . . ?
H24A O24 H24B 109.5 . . ?
H25A O25 H25B 109.5 . . ?
N4 Pt1 N1 176.8(4) . . ?
N4 Pt1 N2 97.2(3) . . ?
N1 Pt1 N2 80.4(3) . . ?
N4 Pt1 N3 85.3(4) . . ?
N1 Pt1 N3 97.3(4) . . ?
N2 Pt1 N3 174.8(4) . . ?
N6 Pt2 N8 177.5(4) . . ?
N6 Pt2 N5 80.3(4) . . ?
N8 Pt2 N5 97.2(3) . . ?
N6 Pt2 N7 96.1(4) . . ?
N8 Pt2 N7 86.4(4) . . ?
N5 Pt2 N7 176.4(4) . . ?
N11 Pt3 N11 79.2(5) . 6_565 ?
N11 Pt3 N9 98.1(3) . . ?
N11 Pt3 N9 177.3(3) 6_565 . ?
N11 Pt3 N9 177.3(3) . 6_565 ?
N11 Pt3 N9 98.1(3) 6_565 6_565 ?
N9 Pt3 N9 84.6(5) . 6_565 ?
N12 Pt4 N12 81.9(5) . 6_565 ?
N12 Pt4 N10 179.0(3) . 6_565 ?
N12 Pt4 N10 97.1(3) 6_565 6_565 ?
N12 Pt4 N10 97.1(3) . . ?
N12 Pt4 N10 179.0(3) 6_565 . ?
N10 Pt4 N10 83.8(5) 6_565 . ?
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
C1 N1 1.352(14) . ?
C1 C2 1.399(15) . ?
C1 H1 0.9300 . ?
C2 C3 1.351(15) . ?
C2 H2 0.9300 . ?
C3 C4 1.392(17) . ?
C3 H3 0.9300 . ?
C4 C5 1.389(15) . ?
C4 H4 0.9300 . ?
C5 N1 1.302(13) . ?
C5 C6 1.409(16) . ?
C6 N2 1.381(13) . ?
C6 C7 1.445(14) . ?
C7 C8 1.377(17) . ?
C7 H7 0.9300 . ?
C8 C9 1.368(15) . ?
C8 H8 0.9300 . ?
C9 C10 1.393(16) . ?
C9 H9 0.9300 . ?
C10 N2 1.277(12) . ?
C10 H10 0.9300 . ?
C11 N5 1.279(14) . ?
C11 C12 1.378(16) . ?
C11 H11 0.9300 . ?
C12 C13 1.373(16) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(16) . ?
C13 H13 0.9300 . ?
C14 C15 1.462(16) . ?
C14 H14 0.9300 . ?
C15 N5 1.341(14) . ?
C15 C16 1.391(17) . ?
C16 N6 1.388(15) . ?
C16 C17 1.429(16) . ?
C17 C18 1.436(17) . ?
C17 H17 0.9300 . ?
C18 C19 1.359(15) . ?
C18 H18 0.9300 . ?
C19 C20 1.405(14) . ?
C19 H19 0.9300 . ?
C20 N6 1.396(14) . ?
C20 H20 0.9300 . ?
C21 N4 1.308(12) . ?
C21 C22 1.409(15) . ?
C21 H21 0.9300 . ?
C22 C23 1.371(15) . ?
C22 C22 1.50(2) 6_565 ?
C23 N8 1.340(13) . ?
C23 H23 0.9300 . ?
C24 N3 1.303(15) . ?
C24 C25 1.414(15) . ?
C24 H24 0.9300 . ?
C25 C26 1.398(16) . ?
C25 C28 1.429(14) . ?
C26 N7 1.367(15) . ?
C26 H26 0.9300 . ?
C27 C28 1.349(18) . ?
C27 N9 1.360(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.400(14) . ?
C29 N10 1.348(16) . ?
C29 H29 0.9300 . ?
C30 N11 1.274(14) . ?
C30 C31 1.382(17) . ?
C30 C30 1.51(3) 6_565 ?
C31 C32 1.389(16) . ?
C31 H31 0.9300 . ?
C32 C33 1.406(16) . ?
C32 H32 0.9300 . ?
C33 C34 1.355(16) . ?
C33 H33 0.9300 . ?
C34 N11 1.346(15) . ?
C34 H34 0.9300 . ?
C35 N12 1.319(15) . ?
C35 C36 1.396(17) . ?
C35 H35 0.9300 . ?
C36 C37 1.357(16) . ?
C36 H36 0.9300 . ?
C37 C38 1.409(16) . ?
C37 H37 0.9300 . ?
C38 C39 1.422(16) . ?
C38 H38 0.9300 . ?
C39 C39 1.37(2) 6_565 ?
C39 N12 1.438(14) . ?
N1 Pt1 2.014(9) . ?
N2 Pt1 2.038(8) . ?
N3 N7 1.341(12) . ?
N3 Pt1 2.070(9) . ?
N4 N8 1.369(12) . ?
N4 Pt1 2.001(10) . ?
N5 Pt2 2.039(8) . ?
N6 Pt2 2.001(9) . ?
N7 Pt2 2.050(9) . ?
N8 Pt2 2.019(10) . ?
N9 N10 1.327(12) . ?
N9 Pt3 2.009(9) . ?
N10 Pt4 1.997(10) . ?
N11 Pt3 2.006(10) . ?
N12 Pt4 1.993(9) . ?
N13 O1 1.230(13) . ?
N13 O3 1.250(13) . ?
N13 O2 1.262(13) . ?
N14 O6 1.217(11) . ?
N14 O4 1.255(11) . ?
N14 O5 1.267(12) . ?
N15 O7 1.183(13) . ?
N15 O9 1.227(13) . ?
N15 O8 1.259(14) . ?
O10 H10D 0.8499 . ?
O10 H10A 0.8501 . ?
O11 H11A 0.8501 . ?
O11 H11B 0.8500 . ?
O12 H12A 0.8500 . ?
O12 H12B 0.8501 . ?
O13 H13A 0.8503 . ?
O13 H13B 0.8499 . ?
O14 H14A 0.8501 . ?
O14 H14B 0.8500 . ?
O15 H15B 0.8501 . ?
O15 H15C 0.8501 . ?
O16 H16B 0.8498 . ?
O16 H16C 0.8500 . ?
O17 H17A 0.8500 . ?
O17 H17B 0.8501 . ?
O18 H18B 0.8500 . ?
O18 H18C 0.8500 . ?
O19 H19A 0.8501 . ?
O19 H19B 0.8501 . ?
O20 H20B 0.8500 . ?
O20 H20A 0.8501 . ?
O21 H21A 0.8500 . ?
O21 H21B 0.8499 . ?
O22 H22A 0.9303 . ?
O22 H22B 0.8501 . ?
O23 H23A 0.8501 . ?
O23 H23B 0.8501 . ?
O24 H24A 0.8501 . ?
O24 H24B 0.8498 . ?
O25 H25A 0.8501 . ?
O25 H25B 0.8501 . ?
Pt3 N11 2.006(10) 6_565 ?
Pt3 N9 2.009(9) 6_565 ?
Pt4 N12 1.993(9) 6_565 ?
Pt4 N10 1.997(10) 6_565 ?
