#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:48:25 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178917 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/46/4114653.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_4114653
loop_
_publ_author_name
'Ki-Min Park'
'Soo-Young Kim'
'Jungseok Heo'
'Dongmok Whang'
'Shigeru Sakamoto'
'Kentaro Yamaguchi'
'Kimoon Kim'
_publ_section_title
;
 Designed Self-Assembly of Molecular Necklaces
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2140
_journal_page_last               2147
_journal_paper_doi               10.1021/ja011654q
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'C162 H378 N102 O159 Pt3'
_chemical_formula_weight         6884.93
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   26.70740(10)
_cell_length_b                   26.70740(10)
_cell_length_c                   23.3649(2)
_cell_measurement_temperature    188(2)
_cell_volume                     14433.04(15)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      188(2)
_diffrn_measurement_device       'Siemens Smart CCD'
_diffrn_measurement_method       'Omega w 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  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            59563
_diffrn_reflns_theta_max         23.21
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    1.575
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.854562
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.584
_exptl_crystal_description       block
_exptl_crystal_F_000             7140
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.807
_refine_diff_density_min         -1.615
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.066
_refine_ls_goodness_of_fit_obs   1.121
_refine_ls_matrix_type           full
_refine_ls_number_parameters     629
_refine_ls_number_reflns         7075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_restrained_S_obs      1.121
_refine_ls_R_factor_all          0.1174
_refine_ls_R_factor_obs          0.0957
_refine_ls_shift/esd_max         -1.879
_refine_ls_shift/esd_mean        0.058
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1384P)²+90.0523P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.2770
_refine_ls_wR_factor_obs         0.2523
_reflns_number_observed          5408
_reflns_number_total             7075
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ja011654q_1.cif
_cod_data_source_block           MN44T
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1384P)^2^+90.0523P] where P=(Fo^2^+2Fc^2^)/3'
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^(Fo^2^)+(0.1384P)^2^+90.0523P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        14433.03(15)
_cod_database_code               4114653
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Pt Pt 0.44017(2) 0.30935(2) 0.2500 0.1211(5) Uani 1 d S
O1 O 0.7858(4) 0.7217(4) 0.2500 0.061(2) Uani 1 d S
O2 O 0.7139(3) 0.6714(3) 0.3746(3) 0.068(2) Uani 1 d .
O3 O 0.5646(3) 0.5766(3) 0.3652(3) 0.064(2) Uani 1 d .
O4 O 0.4844(3) 0.5163(4) 0.2500 0.058(2) Uani 1 d S
O5 O 0.7411(4) 0.9236(4) 0.2500 0.058(2) Uani 1 d S
O6 O 0.6604(3) 0.8637(3) 0.3626(3) 0.066(2) Uani 1 d .
O7 O 0.5057(3) 0.7660(3) 0.3713(3) 0.071(2) Uani 1 d .
O8 O 0.4323(4) 0.7138(3) 0.2500 0.058(2) Uani 1 d S
N1 N 0.8101(3) 0.8066(3) 0.2979(3) 0.052(2) Uani 1 d .
N2 N 0.7588(3) 0.7712(4) 0.3871(3) 0.062(2) Uani 1 d .
N3 N 0.6738(4) 0.7144(4) 0.4302(3) 0.068(2) Uani 1 d .
N4 N 0.5699(3) 0.6460(4) 0.4277(3) 0.061(2) Uani 1 d .
N5 N 0.4872(3) 0.5915(3) 0.3819(3) 0.055(2) Uani 1 d .
N6 N 0.4282(3) 0.5471(3) 0.2973(3) 0.044(2) Uani 1 d .
N7 N 0.7944(3) 0.8895(3) 0.2976(3) 0.056(2) Uani 1 d .
N8 N 0.7373(3) 0.8489(4) 0.3833(3) 0.061(2) Uani 1 d .
N9 N 0.6518(3) 0.7924(4) 0.4255(3) 0.066(2) Uani 1 d .
N10 N 0.5487(3) 0.7256(4) 0.4262(3) 0.059(2) Uani 1 d .
N11 N 0.4622(3) 0.6675(3) 0.3868(3) 0.055(2) Uani 1 d .
N12 N 0.4118(3) 0.6294(3) 0.2974(3) 0.041(2) Uani 1 d .
N13 N 0.5100(5) 0.3902(5) 0.2500 0.085(5) Uani 1 d S
N14 N 0.6055(4) 0.5980(4) 0.2500 0.053(3) Uani 1 d S
H14A H 0.5810(4) 0.5857(4) 0.2168 0.064 Uiso 0.50 calc PR
H14B H 0.5810(4) 0.5857(4) 0.2832 0.064 Uiso 0.50 calc PR
N15 N 0.6198(4) 0.8402(4) 0.2500 0.037(2) Uani 1 d S
H15A H 0.6440(4) 0.8552(4) 0.2832 0.045 Uiso 0.50 calc PR
H15B H 0.6440(4) 0.8552(4) 0.2168 0.045 Uiso 0.50 calc PR
N16 N 0.6558(5) 1.0438(4) 0.2500 0.068(3) Uani 1 d S
N17 N 0.4901(7) 0.2714(6) 0.2219(9) 0.090(8) Uani 0.50 d P
N18 N 0.3724(6) 0.2254(5) 0.2500 0.157(10) Uani 1 d S
C1 C 0.8002(5) 0.7725(6) 0.2500 0.051(3) Uani 1 d S
C2 C 0.8106(4) 0.7857(4) 0.3547(4) 0.060(2) Uani 1 d .
H2A H 0.8436(4) 0.8148(4) 0.3750(4) 0.072 Uiso 1 calc R
H2B H 0.8147(4) 0.7520(4) 0.3518(4) 0.072 Uiso 1 calc R
C3 C 0.7148(4) 0.7140(5) 0.3948(4) 0.057(2) Uani 1 d .
C4 C 0.6262(4) 0.6621(5) 0.4530(4) 0.074(3) Uani 1 d .
H4A H 0.6242(4) 0.6668(5) 0.4935(4) 0.088 Uiso 1 calc R
H4B H 0.6339(4) 0.6310(5) 0.4471(4) 0.088 Uiso 1 calc R
C5 C 0.5425(4) 0.6010(4) 0.3896(4) 0.051(2) Uani 1 d .
C6 C 0.4430(4) 0.5380(4) 0.3535(4) 0.057(2) Uani 1 d .
H6A H 0.4570(4) 0.5112(4) 0.3514(4) 0.068 Uiso 1 calc R
H6B H 0.4087(4) 0.5206(4) 0.3767(4) 0.068 Uiso 1 calc R
C7 C 0.4501(4) 0.5352(4) 0.2500 0.045(3) Uani 1 d S
C8 C 0.8325(4) 0.8671(4) 0.2827(4) 0.053(2) Uani 1 d .
H8 H 0.8707(4) 0.8912(4) 0.2977(4) 0.064 Uiso 1 calc R
C9 C 0.7481(4) 0.8108(4) 0.4191(4) 0.060(2) Uani 1 d .
H9 H 0.7782(4) 0.8322(4) 0.4464(4) 0.072 Uiso 1 calc R
C10 C 0.6889(4) 0.7720(5) 0.4491(4) 0.070(3) Uani 1 d .
H10 H 0.6919(4) 0.7756(5) 0.4901(4) 0.084 Uiso 1 calc R
C11 C 0.5329(4) 0.6684(6) 0.4480(4) 0.073(3) Uani 1 d .
H11 H 0.5293(4) 0.6667(6) 0.4890(4) 0.088 Uiso 1 calc R
C12 C 0.4739(4) 0.6276(5) 0.4182(4) 0.061(2) Uani 1 d .
H12 H 0.4440(4) 0.6052(5) 0.4453(4) 0.073 Uiso 1 calc R
C13 C 0.3898(3) 0.5692(3) 0.2829(4) 0.043(2) Uani 1 d .
H13 H 0.3517(3) 0.5449(3) 0.2980(4) 0.051 Uiso 1 calc R
C14 C 0.7733(5) 0.9030(5) 0.2500 0.055(3) Uani 1 d S
C15 C 0.7821(4) 0.9002(4) 0.3550(4) 0.063(3) Uani 1 d .
H15C H 0.7704(4) 0.9288(4) 0.3536(4) 0.076 Uiso 1 calc R
H15D H 0.8169(4) 0.9158(4) 0.3773(4) 0.076 Uiso 1 calc R
C16 C 0.6807(4) 0.8375(5) 0.3884(4) 0.061(3) Uani 1 d .
C17 C 0.5961(4) 0.7781(5) 0.4486(5) 0.077(3) Uani 1 d .
H17A H 0.5971(4) 0.7745(5) 0.4894(5) 0.092 Uiso 1 calc R
H17B H 0.5891(4) 0.8094(5) 0.4408(5) 0.092 Uiso 1 calc R
C18 C 0.5057(4) 0.7241(5) 0.3924(4) 0.058(2) Uani 1 d .
C19 C 0.4105(4) 0.6502(4) 0.3536(4) 0.051(2) Uani 1 d .
H19A H 0.3780(4) 0.6204(4) 0.3740(4) 0.062 Uiso 1 calc R
H19B H 0.4046(4) 0.6827(4) 0.3501(4) 0.062 Uiso 1 calc R
C20 C 0.4204(5) 0.6631(5) 0.2500 0.043(3) Uani 1 d S
C21 C 0.5330(5) 0.4185(5) 0.2983(8) 0.095(4) Uani 1 d .
H21 H 0.5177(5) 0.3981(5) 0.3336(8) 0.114 Uiso 1 calc R
C22 C 0.5772(4) 0.4750(4) 0.3012(6) 0.077(3) Uani 1 d .
H22 H 0.5924(4) 0.4936(4) 0.3374(6) 0.092 Uiso 1 calc R
C23 C 0.5990(5) 0.5040(5) 0.2500 0.069(5) Uani 1 d S
C24 C 0.6415(5) 0.5689(5) 0.2500 0.055(3) Uani 1 d S
H24A H 0.6657(5) 0.5797(5) 0.2834 0.066 Uiso 0.50 calc PR
H24B H 0.6657(5) 0.5797(5) 0.2166 0.066 Uiso 0.50 calc PR
C25 C 0.6403(5) 0.6621(4) 0.2500 0.043(3) Uani 1 d S
H25A H 0.6646(5) 0.6750(4) 0.2167 0.051 Uiso 0.50 calc PR
H25B H 0.6646(5) 0.6750(4) 0.2833 0.051 Uiso 0.50 calc PR
C26 C 0.6003(5) 0.6887(5) 0.2500 0.050(3) Uani 1 d S
H26A H 0.5759(5) 0.6754(5) 0.2168 0.060 Uiso 0.50 calc PR
H26B H 0.5759(5) 0.6754(5) 0.2832 0.060 Uiso 0.50 calc PR
C27 C 0.6341(5) 0.7542(4) 0.2500 0.036(2) Uani 1 d S
H27A H 0.6583(5) 0.7681(4) 0.2833 0.044 Uiso 0.50 calc PR
H27B H 0.6583(5) 0.7681(4) 0.2167 0.044 Uiso 0.50 calc PR
C28 C 0.5911(5) 0.7754(5) 0.2500 0.043(3) Uani 1 d S
H28A H 0.5668(5) 0.7605(5) 0.2168 0.052 Uiso 0.50 calc PR
H28B H 0.5668(5) 0.7605(5) 0.2832 0.052 Uiso 0.50 calc PR
C29 C 0.5766(5) 0.8599(5) 0.2500 0.065(4) Uani 1 d S
H29A H 0.5524(5) 0.8448(5) 0.2832 0.078 Uiso 0.50 calc PR
H29B H 0.5524(5) 0.8448(5) 0.2168 0.078 Uiso 0.50 calc PR
C30 C 0.6051(5) 0.9250(5) 0.2500 0.048(3) Uani 1 d S
C31 C 0.6173(6) 0.9548(5) 0.3001(5) 0.093(4) Uani 1 d .
H31 H 0.6088(6) 0.9344(5) 0.3358(5) 0.111 Uiso 1 calc R
C32 C 0.6418(7) 1.0139(5) 0.2998(6) 0.108(5) Uani 1 d .
H32 H 0.6491(7) 1.0343(5) 0.3354(6) 0.129 Uiso 1 calc R
C33 C 0.3883(11) 0.1846(11) 0.2958(16) 0.123(11) Uani 0.50 d P
C34 C 0.4526(8) 0.2068(7) 0.2500 0.172(15) Uani 1 d S
N19 N 0.7679(18) 0.7377(25) 0.5410(10) 0.261(26) Uani 1 d .
O9 O 0.6751(9) 0.9231(9) 0.4845(6) 0.188(7) Uani 1 d .
O10 O 0.8166(32) 0.7619(21) 0.5098(24) 0.788(71) Uani 1 d .
O11 O 0.7065(8) 0.6938(9) 0.5715(7) 0.206(8) Uani 1 d .
N20 N 0.5260(41) 0.5672(23) 0.5576(24) 0.278(53) Uani 0.50 d P
O12 O 0.5550(15) 0.5862(19) 0.5784(16) 0.146(14) Uani 0.50 d P
O13 O 0.4767(18) 0.5005(33) 0.4835(24) 0.371(52) Uani 0.50 d P
O14 O 0.4615(45) 0.5535(96) 0.5381(58) 1.494(449) Uani 0.50 d P
O1W O 0.7029(8) 0.5638(8) 0.3932(7) 0.195(6) Uiso 1 d .
O2W O 0.4378(12) 0.7120(11) 0.5036(11) 0.288(11) Uiso 1 d .
O3W O 0.7243(15) 0.8708(14) 0.5471(14) 0.333(15) Uiso 1 d .
O4W O 0.9469(13) 0.8285(13) 0.3007(12) 0.316(12) Uiso 1 d .
O5W O 0.3610(17) 0.4992(18) 0.5210(16) 0.403(18) Uiso 1 d .
O6W O 0.9770(23) 0.9055(23) 0.3636(22) 0.505(26) Uiso 1 d .
O7W O 0.9103(22) 0.8601(21) 0.4891(22) 0.476(25) Uiso 1 d .
O8W O 0.5775(10) 0.9215(11) 0.4407(9) 0.155(10) Uiso 0.65(3) d P
O8W' O 0.3243(14) 0.4528(14) 0.4242(13) 0.116(15) Uiso 0.35(3) d P
O9W O 0.2664(24) 0.1919(24) 0.3823(24) 0.548(31) Uiso 1 d .
O10W O 0.3668(21) 0.2114(22) 0.3670(20) 0.139(15) Uiso 0.25 d P
O11W O 0.3333 0.6667 0.4640(14) 0.137(11) Uiso 0.60 d SP
O12W O 0.4884(13) 0.2595(13) 0.4010(12) 0.137(9) Uiso 0.40 d P
O13W O 0.7791(15) 1.0380(15) 0.2898(13) 0.230(13) Uiso 0.60 d P
O14W O 0.9044(14) 0.9187(14) 0.4290(13) 0.216(12) Uiso 0.60 d P
O15W O 0.5825(27) 0.3149(28) 0.2942(22) 0.538(39) Uiso 0.80 d P
O16W O 0.9249(20) 1.0167(20) 0.2500 0.417(21) Uiso 1.30 d SP
O17W O 0.5764(9) 0.6963(8) 0.5891(9) 0.190(7) Uiso 0.85 d P
O18W O 0.5967(19) 0.2519(19) 0.3324(16) 0.331(17) Uiso 0.75 d P
O19W O 1.0000 1.0000 0.3166(37) 0.600(49) Uiso 1.20 d SP
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
N16 Pt N13 89.3(4) 3_565 .
N16 Pt N18 93.9(5) 3_565 .
N13 Pt N18 176.7(5) . .
N16 Pt N17 162.0(6) 3_565 10_556
N13 Pt N17 92.6(5) . 10_556
N18 Pt N17 84.3(6) . 10_556
N16 Pt N17 162.0(6) 3_565 .
N13 Pt N17 92.6(5) . .
N18 Pt N17 84.3(6) . .
N17 Pt N17 35.8(11) 10_556 .
N16 Pt Pt 53.9(3) 3_565 2_665
N13 Pt Pt 35.5(3) . 2_665
N18 Pt Pt 147.8(4) . 2_665
N17 Pt Pt 126.1(4) 10_556 2_665
N17 Pt Pt 126.1(4) . 2_665
N16 Pt Pt 6.1(3) 3_565 3_565
N13 Pt Pt 95.5(3) . 3_565
N18 Pt Pt 87.8(4) . 3_565
N17 Pt Pt 160.4(6) 10_556 3_565
N17 Pt Pt 160.4(6) . 3_565
Pt Pt Pt 60.0 2_665 3_565
C5 O3 N14 125.0(6) . .
C7 O4 N14 118.1(7) . .
C14 O5 N15 115.0(7) . .
C16 O6 N15 124.2(6) . .
C20 O8 C13 159.8(5) . 2_665
C1 N1 C2 121.7(8) . .
C1 N1 C8 111.7(8) . .
C2 N1 C8 125.1(7) . .
C3 N2 C9 111.6(8) . .
C3 N2 C2 122.0(9) . .
C9 N2 C2 126.2(8) . .
C3 N3 C4 122.4(10) . .
C3 N3 C10 113.0(9) . .
C4 N3 C10 123.9(9) . .
C5 N4 C4 122.5(9) . .
C5 N4 C11 113.2(8) . .
C4 N4 C11 123.4(9) . .
C5 N5 C12 113.3(8) . .
C5 N5 C6 120.0(8) . .
C12 N5 C6 124.0(7) . .
C7 N6 C6 121.3(7) . .
C7 N6 C13 112.3(7) . .
C6 N6 C13 126.4(7) . .
C14 N7 C15 122.5(8) . .
C14 N7 C8 112.0(8) . .
C15 N7 C8 125.4(8) . .
C16 N8 C9 111.9(8) . .
C16 N8 C15 122.6(9) . .
C9 N8 C15 124.4(8) . .
C16 N9 C17 121.7(10) . .
C16 N9 C10 112.3(8) . .
C17 N9 C10 124.2(9) . .
C18 N10 C17 123.5(9) . .
C18 N10 C11 111.7(8) . .
C17 N10 C11 123.1(9) . .
C18 N11 C19 123.2(8) . .
C18 N11 C12 112.7(8) . .
C19 N11 C12 124.1(8) . .
C20 N12 C19 120.9(7) . .
C20 N12 C13 112.4(7) . .
C19 N12 C13 124.7(7) . .
C21 N13 C21 116.8(14) 10_556 .
C21 N13 Pt 121.6(7) 10_556 .
C21 N13 Pt 121.6(7) . .
C25 N14 C24 113.7(9) . .
C25 N14 O3 100.8(3) . .
C24 N14 O3 100.1(3) . .
C25 N14 O4 134.2(7) . .
C24 N14 O4 112.1(6) . .
O3 N14 O4 70.9(2) . .
C29 N15 C28 111.5(8) . .
C29 N15 O6 101.7(3) . .
C28 N15 O6 100.1(3) . .
C29 N15 O5 119.9(7) . .
C28 N15 O5 128.5(6) . .
O6 N15 O5 70.4(2) . .
C32 N16 C32 118.5(13) 10_556 .
C32 N16 Pt 120.6(7) 10_556 2_665
C32 N16 Pt 120.7(7) . 2_665
N17 N17 C34 66.3(8) 10_556 .
N17 N17 Pt 72.1(6) 10_556 .
C34 N17 Pt 100.3(10) . .
C33 N18 C33 76.7(24) 10_556 .
C33 N18 Pt 109.2(10) 10_556 .
C33 N18 Pt 109.2(10) . .
O1 C1 N1 126.0(5) . .
O1 C1 N1 126.0(5) . 10_556
N1 C1 N1 108.1(11) . 10_556
N1 C2 N2 113.0(7) . .
O2 C3 N3 126.5(10) . .
O2 C3 N2 125.6(9) . .
N3 C3 N2 107.9(9) . .
N3 C4 N4 114.6(8) . .
O3 C5 N4 125.6(8) . .
O3 C5 N5 126.9(9) . .
N4 C5 N5 107.3(8) . .
N6 C6 N5 113.8(7) . .
O4 C7 N6 125.7(5) . .
O4 C7 N6 125.7(5) . 10_556
N6 C7 N6 108.6(9) . 10_556
N7 C8 N1 114.3(7) . .
N7 C8 C8 103.9(5) . 10_556
N1 C8 C8 104.1(5) . 10_556
N2 C9 N8 113.5(7) . .
N2 C9 C10 104.7(8) . .
N8 C9 C10 103.6(8) . .
N3 C10 N9 113.7(8) . .
N3 C10 C9 102.7(8) . .
N9 C10 C9 103.5(9) . .
N10 C11 N4 114.4(8) . .
N10 C11 C12 103.8(8) . .
N4 C11 C12 102.7(8) . .
N11 C12 N5 114.0(7) . .
N11 C12 C11 103.0(8) . .
N5 C12 C11 103.2(7) . .
N12 C13 N6 114.7(6) . .
N12 C13 C13 103.5(4) . 10_556
N6 C13 C13 103.4(4) . 10_556
O5 C14 N7 125.9(6) . 10_556
O5 C14 N7 125.9(6) . .
N7 C14 N7 108.2(11) 10_556 .
N7 C15 N8 113.4(7) . .
O6 C16 N9 126.5(9) . .
O6 C16 N8 124.8(10) . .
N9 C16 N8 108.7(10) . .
N10 C17 N9 114.3(8) . .
O7 C18 N10 125.9(9) . .
O7 C18 N11 125.5(8) . .
N10 C18 N11 108.6(9) . .
N12 C19 N11 114.3(7) . .
O8 C20 N12 126.1(5) . 10_556
O8 C20 N12 126.1(5) . .
N12 C20 N12 107.7(9) 10_556 .
N13 C21 C22 124.5(15) . .
C21 C22 C23 117.4(14) . .
C22 C23 C22 119.5(13) 10_556 .
C22 C23 C24 120.1(7) 10_556 .
C22 C23 C24 120.1(7) . .
N14 C24 C23 106.4(9) . .
N14 C25 C26 110.5(9) . .
C27 C26 C25 112.3(9) . .
C28 C27 C26 107.8(9) . .
N15 C28 C27 112.6(9) . .
N15 C29 C30 112.0(9) . .
C31 C30 C31 118.8(12) . 10_556
C31 C30 C29 120.6(6) . .
C31 C30 C29 120.6(6) 10_556 .
C30 C31 C32 120.3(12) . .
N16 C32 C31 121.0(12) . .
N18 C33 C34 85.5(17) . .
N17 C34 N17 47.3(15) . 10_556
N17 C34 C33 123.3(13) . .
N17 C34 C33 94.9(12) 10_556 .
N17 C34 C33 94.9(12) . 10_556
N17 C34 C33 123.3(13) 10_556 10_556
C33 C34 C33 70.6(20) . 10_556
O10 N19 O9 89.4(31) . 9_656
O10 N19 O11 166.0(54) . .
O9 N19 O11 76.5(31) 9_656 .
O12 N20 O14 147.9(100) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt N16 2.025(10) 3_565
Pt N13 2.029(12) .
Pt N18 2.060(13) .
Pt N17 2.142(15) 10_556
Pt N17 2.142(15) .
Pt Pt 19.4761(10) 2_665
Pt Pt 19.4761(10) 3_565
O1 C1 1.210(15) .
O2 C3 1.222(12) .
O3 C5 1.218(11) .
O3 N14 2.853(8) .
O4 C7 1.246(13) .
O4 N14 2.856(13) .
O5 C14 1.23(2) .
O5 N15 2.869(12) .
O6 C16 1.235(12) .
O6 N15 2.795(7) .
O7 C18 1.224(12) .
O8 C20 1.227(13) .
O8 C13 2.975(10) 2_665
N1 C1 1.383(10) .
N1 C2 1.441(12) .
N1 C8 1.458(11) .
N2 C3 1.398(13) .
N2 C9 1.438(13) .
N2 C2 1.450(12) .
N3 C3 1.376(13) .
N3 C4 1.439(13) .
N3 C10 1.450(14) .
N4 C5 1.376(12) .
N4 C4 1.466(12) .
N4 C11 1.469(13) .
N5 C5 1.381(11) .
N5 C12 1.456(12) .
N5 C6 1.479(12) .
N6 C7 1.362(9) .
N6 C6 1.426(11) .
N6 C13 1.455(10) .
N7 C14 1.374(11) .
N7 C15 1.442(12) .
N7 C8 1.458(11) .
N8 C16 1.389(12) .
N8 C9 1.452(13) .
N8 C15 1.453(13) .
N9 C16 1.366(14) .
N9 C17 1.443(12) .
N9 C10 1.458(13) .
N10 C18 1.378(12) .
N10 C17 1.438(12) .
N10 C11 1.456(14) .
N11 C18 1.378(13) .
N11 C19 1.445(11) .
N11 C12 1.448(13) .
N12 C20 1.371(9) .
N12 C19 1.433(10) .
N12 C13 1.451(10) .
N13 C21 1.32(2) 10_556
N13 C21 1.32(2) .
N14 C25 1.484(14) .
N14 C24 1.511(14) .
N15 C29 1.488(14) .
N15 C28 1.503(13) .
N16 C32 1.354(15) 10_556
N16 C32 1.354(15) .
N16 Pt 2.025(10) 2_665
N17 N17 1.32(4) 10_556
N17 C34 1.64(2) .
N18 C33 1.72(3) 10_556
N18 C33 1.72(3) .
C1 N1 1.383(10) 10_556
C7 N6 1.362(9) 10_556
C8 C8 1.53(2) 10_556
C9 C10 1.558(14) .
C11 C12 1.562(14) .
C13 C13 1.54(2) 10_556
C14 N7 1.374(11) 10_556
C20 N12 1.371(9) 10_556
C21 C22 1.38(2) .
C22 C23 1.386(13) .
C23 C22 1.386(13) 10_556
C23 C24 1.52(2) .
C25 C26 1.547(15) .
C26 C27 1.515(15) .
C27 C28 1.51(2) .
C29 C30 1.51(2) .
C30 C31 1.360(13) .
C30 C31 1.360(13) 10_556
C31 C32 1.37(2) .
C33 C34 1.85(4) .
C34 N17 1.64(2) 10_556
C34 C33 1.85(4) 10_556
N19 O10 1.34(9) .
N19 O9 1.62(5) 9_656
N19 O11 1.63(5) .
O9 N19 1.62(5) 8_566
N20 O12 0.83(9) .
N20 O14 1.64(14) .
O13 O13 1.48(9) 7_666
O8W O8W' 1.23(3) 2_665
O8W' O8W 1.23(3) 3_565
