#------------------------------------------------------------------------------
#$Date: 2016-03-23 19:45:00 +0100 (Wed 23 de Mar de 2016) $
#$Revision: 179422 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/19/4331960.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4331960
loop_
_publ_author_name
'Chen, Wanzhi'
'Liu, Fenghui'
'Xu, Duanjun'
'Matsumoto, Kazuko'
'Kishi, Shinobu'
'Kato, Masako'
_publ_section_title
;
 Luminescent Amidate-Bridged One-Dimensional
 Platinum(II)−Thallium(I) Coordination Polymers Assembled via
 Metallophilic Attraction
;
_journal_issue                   14
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5552
_journal_page_last               5560
_journal_paper_doi               10.1021/ic051932c
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C44 H90 Fe N8 O15 Pt2 Tl2'
_chemical_formula_weight         1826.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 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                 103.340(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.830(7)
_cell_length_b                   21.660(12)
_cell_length_c                   12.683(7)
_cell_measurement_temperature    293(2)
_cell_volume                     3162(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXL'
_computing_publication_material  'Bruker SHELXL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.1121
_diffrn_reflns_av_sigmaI/netI    0.1607
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            16717
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    9.772
_exptl_absorpt_correction_T_max  0.2224
_exptl_absorpt_correction_T_min  0.2026
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1748
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.22
_refine_diff_density_max         1.827
_refine_diff_density_min         -2.458
_refine_diff_density_rms         0.255
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.937
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         10669
_refine_ls_number_restraints     1978
_refine_ls_restrained_S_all      0.874
_refine_ls_R_factor_all          0.1234
_refine_ls_R_factor_gt           0.0690
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0773P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1507
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                6471
_reflns_number_total             10669
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic051932csup1.cif
_cod_data_source_block           filtered
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               4331960
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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
Tl1 Tl 0.43625(6) 0.64365(5) 0.22547(7) 0.0513(2) Uani 1 1 d . . .
Tl2 Tl 0.96562(7) 0.62836(5) 0.33135(9) 0.0603(3) Uani 1 1 d . . .
Pt1 Pt 0.20658(5) 0.65185(4) 0.29191(6) 0.0381(2) Uani 1 1 d . . .
Pt2 Pt 0.70069(5) 0.64713(5) 0.31059(6) 0.0408(2) Uani 1 1 d . . .
Fe1 Fe 1.1956(3) 0.73197(15) 0.7590(3) 0.0515(9) Uani 1 1 d . . .
O1 O 0.4507(10) 0.6401(7) 0.4725(11) 0.051(3) Uani 1 1 d U . .
O2 O 0.0888(14) 0.5154(8) 0.2959(16) 0.076(4) Uani 1 1 d U . .
O3 O 0.5393(14) 0.5483(7) 0.1551(16) 0.072(4) Uani 1 1 d U . .
O4 O 0.8686(15) 0.7120(9) 0.1659(16) 0.080(4) Uani 1 1 d U . .
O5 O 1.0105(14) 0.6471(10) 0.5373(14) 0.087(3) Uani 1 1 d U . .
O6 O 1.0391(15) 0.7381(8) 0.4617(16) 0.078(4) Uani 1 1 d U . .
O7 O 1.2871(14) 0.6326(7) 1.0112(13) 0.074(4) Uani 1 1 d U . .
O8 O 1.3371(14) 0.7283(8) 1.0572(17) 0.077(5) Uani 1 1 d U . .
O9 O 0.5146(18) 0.8000(10) 0.174(2) 0.110(2) Uani 1 1 d U . .
O10 O 0.4095(18) 0.5268(10) 0.951(2) 0.106(7) Uani 1 1 d U . .
O11 O 0.9630(18) 0.8509(10) 0.410(2) 0.110(2) Uani 1 1 d U . .
O12 O 0.6322(18) 0.9055(10) 0.136(2) 0.110(2) Uani 1 1 d U . .
O13 O 0.879(2) 0.5493(11) 0.563(2) 0.087(4) Uani 0.75 1 d PU A 1
C8 C 0.128(4) 0.497(2) 0.024(4) 0.091(4) Uani 0.50 1 d PDU B 1
H8A H 0.1074 0.4655 -0.0303 0.136 Uiso 0.50 1 calc PR B 1
H8B H 0.2106 0.5031 0.0408 0.136 Uiso 0.50 1 calc PRD B 1
H8C H 0.0898 0.5349 -0.0028 0.136 Uiso 0.50 1 calc PR B 1
C14 C 0.264(3) 0.899(3) 0.311(3) 0.0602(19) Uani 0.50 1 d PDU C 1
H14A H 0.3371 0.9052 0.2897 0.072 Uiso 0.50 1 calc PR C 1
H14B H 0.2504 0.9342 0.3524 0.072 Uiso 0.50 1 calc PR C 1
C24 C 0.653(4) 0.646(3) -0.070(5) 0.106(4) Uani 0.50 1 d PDU D 1
H24A H 0.6550 0.6053 -0.0377 0.158 Uiso 0.50 1 calc PR D 1
H24B H 0.6524 0.6415 -0.1453 0.158 Uiso 0.50 1 calc PR D 1
H24C H 0.5845 0.6670 -0.0621 0.158 Uiso 0.50 1 calc PR D 1
O13' O 0.914(6) 0.541(3) 0.696(7) 0.087(4) Uani 0.25 1 d PU E 2
C8' C 0.108(5) 0.496(3) 0.016(3) 0.091(4) Uani 0.50 1 d PDU B 2
H8'1 H 0.0864 0.4629 -0.0346 0.136 Uiso 0.50 1 calc PR B 2
H8'2 H 0.1878 0.5068 0.0216 0.136 Uiso 0.50 1 calc PR B 2
H8'3 H 0.0599 0.5316 -0.0099 0.136 Uiso 0.50 1 calc PR B 2
C14' C 0.292(3) 0.893(3) 0.280(4) 0.0602(19) Uani 0.50 1 d PDU C 2
H14C H 0.3177 0.9332 0.3084 0.072 Uiso 0.50 1 calc PR C 2
H14D H 0.3470 0.8762 0.2410 0.072 Uiso 0.50 1 calc PR C 2
C24' C 0.632(3) 0.682(3) -0.069(6) 0.106(4) Uani 0.50 1 d PDU D 2
H24D H 0.5989 0.6424 -0.0573 0.158 Uiso 0.50 1 calc PR D 2
H24E H 0.6229 0.6886 -0.1449 0.158 Uiso 0.50 1 calc PR D 2
H24F H 0.5930 0.7138 -0.0387 0.158 Uiso 0.50 1 calc PR D 2
O14 O 0.0032(18) 0.4581(10) 0.463(2) 0.110(2) Uani 1 1 d U . .
O15 O 0.8469(19) 0.8467(10) 0.197(2) 0.110(2) Uani 1 1 d U . .
N1 N 0.2747(16) 0.5932(8) 0.4054(19) 0.059(4) Uani 1 1 d U . .
H1 H 0.2240 0.5901 0.4483 0.071 Uiso 1 1 d R . .
N2 N 0.1607(16) 0.5805(7) 0.1875(18) 0.051(4) Uiso 1 1 d DU . .
H2 H 0.2242 0.5720 0.1624 0.07(7) Uiso 1 1 d R . .
N3 N 0.1392(16) 0.7194(8) 0.1790(19) 0.059(4) Uani 1 1 d U . .
H3D H 0.1767 0.7184 0.1248 0.071 Uiso 1 1 calc R . .
H3E H 0.0636 0.7115 0.1506 0.071 Uiso 1 1 calc R . .
N4 N 0.2542(14) 0.7267(7) 0.3868(17) 0.051(3) Uani 1 1 d U . .
H4D H 0.2011 0.7342 0.4258 0.061 Uiso 1 1 calc R . .
H4E H 0.3230 0.7196 0.4331 0.061 Uiso 1 1 calc R . .
N5 N 0.6905(16) 0.5552(9) 0.2963(18) 0.0593(17) Uani 1 1 d U . .
H5 H 0.7388 0.5342 0.3439 0.071 Uiso 1 1 calc R . .
N6 N 0.7094(13) 0.6545(10) 0.1518(14) 0.0593(17) Uani 1 1 d U . .
H6 H 0.7112 0.6156 0.1275 0.071 Uiso 1 1 d R . .
N7 N 0.7031(16) 0.7418(9) 0.3287(18) 0.0593(17) Uani 1 1 d U . .
H7A H 0.7758 0.7560 0.3343 0.071 Uiso 1 1 calc R . .
H7B H 0.6568 0.7593 0.2700 0.071 Uiso 1 1 calc R . .
N8 N 0.6950(14) 0.6472(10) 0.4710(14) 0.0593(17) Uani 1 1 d U . .
H8D H 0.6245 0.6349 0.4783 0.071 Uiso 1 1 calc R . .
H8E H 0.7487 0.6211 0.5086 0.071 Uiso 1 1 calc R . .
C1 C 0.3810(19) 0.5954(10) 0.474(2) 0.054(3) Uani 1 1 d U . .
C2 C 0.4235(19) 0.5406(10) 0.548(2) 0.056(4) Uani 1 1 d U . .
C3 C 0.5123(19) 0.5645(11) 0.653(2) 0.061(5) Uani 1 1 d U . .
H3A H 0.5742 0.5863 0.6325 0.091 Uiso 1 1 d R . .
H3B H 0.4721 0.5919 0.6917 0.091 Uiso 1 1 d R . .
H3C H 0.5438 0.5305 0.6997 0.091 Uiso 1 1 d R . .
C4 C 0.492(2) 0.4972(11) 0.490(2) 0.069(6) Uani 1 1 d U . .
H4A H 0.5394 0.4685 0.5388 0.103 Uiso 1 1 d R . .
H4B H 0.4331 0.4750 0.4395 0.103 Uiso 1 1 d R . .
H4C H 0.5388 0.5203 0.4523 0.103 Uiso 1 1 d R . .
C5 C 0.330(2) 0.5055(11) 0.585(2) 0.069(6) Uani 1 1 d U . .
H5A H 0.3604 0.4651 0.6069 0.104 Uiso 1 1 d R . .
H5B H 0.3040 0.5245 0.6437 0.104 Uiso 1 1 d R . .
H5C H 0.2665 0.5020 0.5232 0.104 Uiso 1 1 d R . .
C6 C 0.1184(18) 0.5274(8) 0.2073(19) 0.054(3) Uani 1 1 d DU B .
C7 C 0.0902(16) 0.4773(8) 0.1255(17) 0.065(5) Uani 1 1 d DU . .
C9 C 0.1651(19) 0.4211(10) 0.164(2) 0.091(4) Uani 1 1 d DU B .
H9A H 0.1454 0.3887 0.1110 0.136 Uiso 1 1 calc R . .
H9B H 0.1518 0.4072 0.2317 0.136 Uiso 1 1 calc R . .
H9C H 0.2455 0.4318 0.1726 0.136 Uiso 1 1 calc RD . .
C10 C -0.0387(15) 0.4647(12) 0.097(3) 0.091(4) Uani 1 1 d DU B .
H10A H -0.0552 0.4324 0.0433 0.136 Uiso 1 1 calc R . .
H10B H -0.0795 0.5015 0.0677 0.136 Uiso 1 1 calc R . .
H10C H -0.0634 0.4521 0.1603 0.136 Uiso 1 1 calc R . .
C11 C 0.151(2) 0.7814(10) 0.229(2) 0.0602(19) Uani 1 1 d U . .
H11 H 0.0863 0.7876 0.2637 0.072 Uiso 1 1 calc R . .
C12 C 0.264(2) 0.7820(10) 0.317(2) 0.0602(19) Uani 1 1 d U C .
H12 H 0.3306 0.7766 0.2842 0.072 Uiso 1 1 calc R . .
C13 C 0.273(2) 0.8456(10) 0.376(2) 0.0602(19) Uani 1 1 d U . .
H13A H 0.2127 0.8475 0.4159 0.072 Uiso 1 1 calc R C 1
H13B H 0.3472 0.8471 0.4282 0.072 Uiso 1 1 calc R C 1
C15 C 0.1669(17) 0.8938(10) 0.2095(19) 0.0602(19) Uani 1 1 d DU . .
H15A H 0.1790 0.9266 0.1612 0.072 Uiso 1 1 calc R C 1
H15B H 0.0953 0.9033 0.2309 0.072 Uiso 1 1 calc R C 1
C16 C 0.144(2) 0.8328(10) 0.140(2) 0.066(4) Uani 1 1 d U C .
H16A H 0.0684 0.8334 0.0900 0.080 Uiso 1 1 calc R . .
H16B H 0.2033 0.8267 0.0987 0.080 Uiso 1 1 calc R . .
C17 C 0.619(2) 0.5243(11) 0.223(2) 0.060(4) Uani 1 1 d U . .
C18 C 0.621(2) 0.4544(11) 0.2056(18) 0.073(5) Uani 1 1 d DU . .
C19 C 0.656(2) 0.4394(12) 0.100(2) 0.077(6) Uani 1 1 d DU . .
H19A H 0.6006 0.4122 0.0559 0.115 Uiso 1 1 d R . .
H19B H 0.6625 0.4765 0.0598 0.115 Uiso 1 1 d R . .
H19C H 0.7307 0.4193 0.1184 0.115 Uiso 1 1 d R . .
C20 C 0.705(2) 0.4250(13) 0.302(2) 0.085(7) Uani 1 1 d DU . .
H20A H 0.6901 0.3817 0.2903 0.128 Uiso 1 1 d R . .
H20B H 0.7861 0.4329 0.3071 0.128 Uiso 1 1 d R . .
H20C H 0.6847 0.4376 0.3674 0.128 Uiso 1 1 d R . .
C21 C 0.501(2) 0.4225(13) 0.200(3) 0.088(7) Uani 1 1 d U . .
H21A H 0.4444 0.4532 0.2075 0.132 Uiso 1 1 calc R . .
H21B H 0.5082 0.3927 0.2569 0.132 Uiso 1 1 calc R . .
H21C H 0.4753 0.4022 0.1310 0.132 Uiso 1 1 calc R . .
C22 C 0.779(2) 0.6843(12) 0.1092(19) 0.071(4) Uani 1 1 d DU D .
C23 C 0.7606(18) 0.6820(12) -0.0129(19) 0.074(5) Uani 1 1 d DU . .
C25 C 0.787(3) 0.7436(14) -0.049(3) 0.106(4) Uani 1 1 d U D .
H25A H 0.7755 0.7738 0.0028 0.158 Uiso 1 1 calc R . .
H25B H 0.7366 0.7524 -0.1182 0.158 Uiso 1 1 calc R . .
H25C H 0.8664 0.7448 -0.0552 0.158 Uiso 1 1 calc R . .
C27 C 0.662(2) 0.7596(10) 0.429(2) 0.060(4) Uani 1 1 d U . .
H27 H 0.5776 0.7538 0.4135 0.072 Uiso 1 1 calc R . .
C28 C 0.719(2) 0.7112(10) 0.512(2) 0.059(3) Uani 1 1 d U . .
H28 H 0.8031 0.7175 0.5271 0.071 Uiso 1 1 calc R . .
C29 C 0.680(2) 0.7220(10) 0.621(2) 0.059(4) Uani 1 1 d U . .
H29A H 0.5982 0.7132 0.6104 0.071 Uiso 1 1 calc R . .
H29B H 0.7228 0.6943 0.6761 0.071 Uiso 1 1 calc R . .
C30 C 0.704(2) 0.7882(10) 0.658(2) 0.065(4) Uani 1 1 d DU . .
H30A H 0.6769 0.7950 0.7234 0.078 Uiso 1 1 calc R . .
H30B H 0.7869 0.7960 0.6740 0.078 Uiso 1 1 calc R . .
C31 C 0.644(2) 0.8323(11) 0.572(2) 0.072(5) Uani 1 1 d DU . .
H31A H 0.6564 0.8743 0.5983 0.086 Uiso 1 1 calc R . .
H31B H 0.5606 0.8244 0.5551 0.086 Uiso 1 1 calc R . .
C32 C 0.689(2) 0.8256(11) 0.467(2) 0.068(4) Uani 1 1 d U . .
H32A H 0.6499 0.8546 0.4118 0.081 Uiso 1 1 calc R . .
H32B H 0.7718 0.8333 0.4814 0.081 Uiso 1 1 calc R . .
C33 C 1.039(2) 0.7354(12) 0.647(2) 0.074(4) Uani 1 1 d DU . .
C34 C 1.025(2) 0.7058(12) 0.748(3) 0.075(4) Uani 1 1 d U . .
H34 H 0.9977 0.6661 0.7557 0.090 Uiso 1 1 calc R . .
C35 C 1.062(2) 0.7514(12) 0.830(3) 0.074(4) Uani 1 1 d U . .
H35 H 1.0644 0.7453 0.9035 0.089 Uiso 1 1 calc R . .
C36 C 1.091(2) 0.8036(12) 0.789(2) 0.078(4) Uani 1 1 d DU . .
H36 H 1.1147 0.8393 0.8284 0.094 Uiso 1 1 calc R . .
C37 C 1.083(2) 0.7978(13) 0.675(3) 0.080(4) Uani 1 1 d U . .
H37 H 1.1022 0.8272 0.6281 0.096 Uiso 1 1 calc R . .
C38 C 1.330(2) 0.6944(12) 0.876(2) 0.068(4) Uani 1 1 d DU . .
C39 C 1.360(2) 0.7497(12) 0.834(2) 0.072(4) Uani 1 1 d U . .
H39 H 1.3801 0.7859 0.8730 0.086 Uiso 1 1 calc R . .
C40 C 1.355(2) 0.7422(12) 0.727(3) 0.074(4) Uani 1 1 d U . .
H40 H 1.3799 0.7716 0.6838 0.089 Uiso 1 1 calc R . .
C41 C 1.311(2) 0.6866(13) 0.691(3) 0.076(4) Uani 1 1 d U . .
H41 H 1.2970 0.6715 0.6205 0.091 Uiso 1 1 calc R . .
C42 C 1.2897(19) 0.6556(13) 0.787(2) 0.070(4) Uani 1 1 d U . .
H42 H 1.2556 0.6170 0.7883 0.085 Uiso 1 1 calc R . .
C43 C 1.027(2) 0.7064(13) 0.545(3) 0.078(4) Uani 1 1 d U . .
C44 C 1.320(2) 0.6855(13) 0.991(2) 0.066(4) Uani 1 1 d DU . .
C26 C 0.853(2) 0.6404(13) -0.048(2) 0.106(4) Uani 1 1 d DU D .
H26A H 0.8290 0.5980 -0.0501 0.158 Uiso 1 1 calc R . .
H26B H 0.9266 0.6449 0.0028 0.158 Uiso 1 1 calc R . .
H26C H 0.8612 0.6526 -0.1188 0.158 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Fe Fe 0.3463 0.8444 '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'
Tl Tl -2.8358 9.6688 '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
O3 Tl1 Pt1 130.5(4) . .
O3 Tl1 Pt2 68.1(3) . .
Pt1 Tl1 Pt2 143.93(5) . .
O3 Tl1 O1 113.4(5) . .
Pt1 Tl1 O1 64.2(2) . .
Pt2 Tl1 O1 80.3(2) . .
O5 Tl2 O6 48.0(6) . .
O5 Tl2 Pt1 99.1(4) . 1_655
O6 Tl2 Pt1 77.8(3) . 1_655
O5 Tl2 Pt2 91.9(4) . .
O6 Tl2 Pt2 96.0(3) . .
Pt1 Tl2 Pt2 157.87(5) 1_655 .
N1 Pt1 N4 94.2(8) . .
N1 Pt1 N2 89.3(8) . .
N4 Pt1 N2 175.8(8) . .
N1 Pt1 N3 175.8(8) . .
N4 Pt1 N3 81.7(8) . .
N2 Pt1 N3 94.8(6) . .
N1 Pt1 Tl1 85.6(6) . .
N4 Pt1 Tl1 93.9(5) . .
N2 Pt1 Tl1 84.0(6) . .
N3 Pt1 Tl1 94.4(6) . .
N1 Pt1 Tl2 90.7(6) . 1_455
N4 Pt1 Tl2 100.3(5) . 1_455
N2 Pt1 Tl2 82.0(6) . 1_455
N3 Pt1 Tl2 90.3(6) . 1_455
Tl1 Pt1 Tl2 165.55(5) . 1_455
N5 Pt2 N6 90.3(9) . .
N5 Pt2 N8 94.3(8) . .
N6 Pt2 N8 175.4(9) . .
N5 Pt2 N7 176.8(7) . .
N6 Pt2 N7 91.7(9) . .
N8 Pt2 N7 83.8(8) . .
N5 Pt2 Tl1 84.7(5) . .
N6 Pt2 Tl1 86.2(4) . .
N8 Pt2 Tl1 94.9(4) . .
N7 Pt2 Tl1 92.9(5) . .
N5 Pt2 Tl2 85.2(5) . .
N6 Pt2 Tl2 79.3(4) . .
N8 Pt2 Tl2 100.3(5) . .
N7 Pt2 Tl2 97.6(5) . .
Tl1 Pt2 Tl2 162.34(4) . .
C42 Fe1 C39 68.3(10) . .
C42 Fe1 C41 42.7(10) . .
C39 Fe1 C41 67.5(11) . .
C42 Fe1 C40 67.4(11) . .
C39 Fe1 C40 39.2(11) . .
C41 Fe1 C40 38.8(9) . .
C42 Fe1 C35 123.8(11) . .
C39 Fe1 C35 121.4(12) . .
C41 Fe1 C35 162.8(11) . .
C40 Fe1 C35 156.6(11) . .
C42 Fe1 C33 122.1(10) . .
C39 Fe1 C33 160.8(12) . .
C41 Fe1 C33 108.1(11) . .
C40 Fe1 C33 126.0(12) . .
C35 Fe1 C33 68.4(11) . .
C42 Fe1 C36 158.2(11) . .
C39 Fe1 C36 109.0(10) . .
C41 Fe1 C36 158.1(12) . .
C40 Fe1 C36 125.0(11) . .
C35 Fe1 C36 37.7(10) . .
C33 Fe1 C36 67.6(7) . .
C42 Fe1 C37 159.1(11) . .
C39 Fe1 C37 123.6(11) . .
C41 Fe1 C37 121.8(12) . .
C40 Fe1 C37 109.7(12) . .
C35 Fe1 C37 67.5(12) . .
C33 Fe1 C37 41.5(10) . .
C36 Fe1 C37 40.5(10) . .
C42 Fe1 C38 40.3(9) . .
C39 Fe1 C38 39.9(10) . .
C41 Fe1 C38 68.5(11) . .
C40 Fe1 C38 65.8(11) . .
C35 Fe1 C38 108.1(11) . .
C33 Fe1 C38 157.9(11) . .
C36 Fe1 C38 123.8(10) . .
C37 Fe1 C38 159.2(11) . .
C42 Fe1 C34 106.5(10) . .
C39 Fe1 C34 156.1(12) . .
C41 Fe1 C34 125.4(11) . .
C40 Fe1 C34 162.2(12) . .
C35 Fe1 C34 40.8(10) . .
C33 Fe1 C34 41.7(11) . .
C36 Fe1 C34 66.8(10) . .
C37 Fe1 C34 69.7(11) . .
C38 Fe1 C34 121.2(11) . .
C1 O1 Tl1 98.5(14) . .
C17 O3 Tl1 115.3(17) . .
C43 O5 Tl2 103.1(18) . .
C43 O6 Tl2 87.5(16) . .
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 . .
C13 C14 C15 112(3) . .
C13 C14 H14A 109.1 . .
C15 C14 H14A 109.1 . .
C13 C14 H14B 109.1 . .
C15 C14 H14B 109.1 . .
H14A C14 H14B 107.9 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C7 C8' H8'1 109.5 . .
C7 C8' H8'2 109.5 . .
H8'1 C8' H8'2 109.5 . .
C7 C8' H8'3 109.5 . .
H8'1 C8' H8'3 109.5 . .
H8'2 C8' H8'3 109.5 . .
C15 C14' C13 99(3) . .
C15 C14' H14C 111.9 . .
C13 C14' H14C 111.9 . .
C15 C14' H14D 111.9 . .
C13 C14' H14D 111.9 . .
H14C C14' H14D 109.6 . .
C23 C24' H24D 109.5 . .
C23 C24' H24E 109.5 . .
H24D C24' H24E 109.5 . .
C23 C24' H24F 109.5 . .
H24D C24' H24F 109.5 . .
H24E C24' H24F 109.5 . .
C1 N1 Pt1 127.9(16) . .
C1 N1 H1 105.4 . .
Pt1 N1 H1 105.9 . .
C6 N2 Pt1 127.3(17) . .
C6 N2 H2 106.0 . .
Pt1 N2 H2 105.5 . .
C11 N3 Pt1 111.2(16) . .
C11 N3 H3D 109.4 . .
Pt1 N3 H3D 109.4 . .
C11 N3 H3E 109.4 . .
Pt1 N3 H3E 109.4 . .
H3D N3 H3E 108.0 . .
C12 N4 Pt1 109.7(15) . .
C12 N4 H4D 109.7 . .
Pt1 N4 H4D 109.7 . .
C12 N4 H4E 109.7 . .
Pt1 N4 H4E 109.7 . .
H4D N4 H4E 108.2 . .
C17 N5 Pt2 126.7(18) . .
C17 N5 H5 116.6 . .
Pt2 N5 H5 116.6 . .
C22 N6 Pt2 130.3(17) . .
C22 N6 H6 105.3 . .
Pt2 N6 H6 105.9 . .
C27 N7 Pt2 110.4(14) . .
C27 N7 H7A 109.6 . .
Pt2 N7 H7A 109.6 . .
C27 N7 H7B 109.6 . .
Pt2 N7 H7B 109.6 . .
H7A N7 H7B 108.1 . .
C28 N8 Pt2 107.7(14) . .
C28 N8 H8D 110.2 . .
Pt2 N8 H8D 110.2 . .
C28 N8 H8E 110.2 . .
Pt2 N8 H8E 110.2 . .
H8D N8 H8E 108.5 . .
O1 C1 N1 122(2) . .
O1 C1 C2 118.4(19) . .
N1 C1 C2 120(2) . .
C5 C2 C1 115.2(19) . .
C5 C2 C4 110(2) . .
C1 C2 C4 109(2) . .
C5 C2 C3 107(2) . .
C1 C2 C3 109.2(19) . .
C4 C2 C3 106.5(19) . .
C2 C3 H3A 109.1 . .
C2 C3 H3B 108.6 . .
H3A C3 H3B 109.5 . .
C2 C3 H3C 110.7 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
C2 C4 H4A 113.0 . .
C2 C4 H4B 104.7 . .
H4A C4 H4B 109.5 . .
C2 C4 H4C 110.6 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
C2 C5 H5A 107.5 . .
C2 C5 H5B 114.6 . .
H5A C5 H5B 109.5 . .
C2 C5 H5C 106.2 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O2 C6 N2 123(2) . .
O2 C6 C7 113.8(17) . .
N2 C6 C7 123(2) . .
C6 C7 C10 110.8(18) . .
C6 C7 C8' 113(3) . .
C10 C7 C8' 100(3) . .
C6 C7 C8 109(3) . .
C10 C7 C8 108.9(16) . .
C8' C7 C8 9(4) . .
C6 C7 C9 110.0(18) . .
C10 C7 C9 114.5(14) . .
C8' C7 C9 108.6(16) . .
C8 C7 C9 103.4(15) . .
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 . .
N3 C11 C12 107.6(18) . .
N3 C11 C16 111(2) . .
C12 C11 C16 114.4(19) . .
N3 C11 H11 108.0 . .
C12 C11 H11 108.0 . .
C16 C11 H11 108.0 . .
N4 C12 C11 104.4(17) . .
N4 C12 C13 115(2) . .
C11 C12 C13 108.0(18) . .
N4 C12 H12 109.6 . .
C11 C12 H12 109.6 . .
C13 C12 H12 109.6 . .
C14 C13 C12 117(3) . .
C14 C13 C14' 20(3) . .
C12 C13 C14' 102(3) . .
C14 C13 H13A 108.0 . .
C12 C13 H13A 108.0 . .
C14' C13 H13A 127.4 . .
C14 C13 H13B 108.0 . .
C12 C13 H13B 108.0 . .
C14' C13 H13B 103.3 . .
H13A C13 H13B 107.2 . .
C14 C15 C14' 22(3) . .
C14 C15 C16 122(3) . .
C14' C15 C16 109(3) . .
C14 C15 H15A 106.8 . .
C14' C15 H15A 96.7 . .
C16 C15 H15A 106.8 . .
C14 C15 H15B 106.8 . .
C14' C15 H15B 128.6 . .
C16 C15 H15B 106.8 . .
H15A C15 H15B 106.7 . .
C11 C16 C15 102(2) . .
C11 C16 H16A 111.3 . .
C15 C16 H16A 111.3 . .
C11 C16 H16B 111.3 . .
C15 C16 H16B 111.3 . .
H16A C16 H16B 109.2 . .
O3 C17 N5 123(2) . .
O3 C17 C18 110(2) . .
N5 C17 C18 126(2) . .
C20 C18 C19 111(2) . .
C20 C18 C17 109(2) . .
C19 C18 C17 111(2) . .
C20 C18 C21 106(2) . .
C19 C18 C21 107(2) . .
C17 C18 C21 113(2) . .
C18 C19 H19A 110.3 . .
C18 C19 H19B 110.7 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 107.4 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 103.0 . .
C18 C20 H20B 116.1 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.0 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
N6 C22 O4 122(2) . .
N6 C22 C23 118(2) . .
O4 C22 C23 120(2) . .
C25 C23 C22 107(2) . .
C25 C23 C24' 97(3) . .
C22 C23 C24' 112(4) . .
C25 C23 C24 122(3) . .
C22 C23 C24 114(3) . .
C24' C23 C24 31(3) . .
C25 C23 C26 103(2) . .
C22 C23 C26 112(2) . .
C24' C23 C26 124(3) . .
C24 C23 C26 97(3) . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
N7 C27 C32 115(2) . .
N7 C27 C28 103.4(18) . .
C32 C27 C28 113(2) . .
N7 C27 H27 108.3 . .
C32 C27 H27 108.3 . .
C28 C27 H27 108.3 . .
N8 C28 C27 112(2) . .
N8 C28 C29 112.4(19) . .
C27 C28 C29 109.6(19) . .
N8 C28 H28 107.5 . .
C27 C28 H28 107.5 . .
C29 C28 H28 107.5 . .
C30 C29 C28 110(2) . .
C30 C29 H29A 109.6 . .
C28 C29 H29A 109.6 . .
C30 C29 H29B 109.6 . .
C28 C29 H29B 109.6 . .
H29A C29 H29B 108.2 . .
C31 C30 C29 111(2) . .
C31 C30 H30A 109.5 . .
C29 C30 H30A 109.5 . .
C31 C30 H30B 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 108.1 . .
C30 C31 C32 111(2) . .
C30 C31 H31A 109.4 . .
C32 C31 H31A 109.4 . .
C30 C31 H31B 109.4 . .
C32 C31 H31B 109.4 . .
H31A C31 H31B 108.0 . .
C27 C32 C31 106(2) . .
C27 C32 H32A 110.6 . .
C31 C32 H32A 110.6 . .
C27 C32 H32B 110.6 . .
C31 C32 H32B 110.6 . .
H32A C32 H32B 108.7 . .
C43 C33 C37 126(3) . .
C43 C33 C34 126(3) . .
C37 C33 C34 107(2) . .
C43 C33 Fe1 120(2) . .
C37 C33 Fe1 69.5(14) . .
C34 C33 Fe1 69.5(15) . .
C35 C34 C33 105(2) . .
C35 C34 Fe1 68.4(14) . .
C33 C34 Fe1 68.8(15) . .
C35 C34 H34 127.5 . .
C33 C34 H34 127.5 . .
Fe1 C34 H34 126.8 . .
C36 C35 C34 111(3) . .
C36 C35 Fe1 72.2(17) . .
C34 C35 Fe1 70.7(16) . .
C36 C35 H35 124.5 . .
C34 C35 H35 124.5 . .
Fe1 C35 H35 124.1 . .
C35 C36 C37 111(2) . .
C35 C36 Fe1 70.0(16) . .
C37 C36 Fe1 69.8(15) . .
C35 C36 H36 124.3 . .
C37 C36 H36 124.3 . .
Fe1 C36 H36 127.5 . .
C36 C37 C33 105(2) . .
C36 C37 Fe1 69.7(16) . .
C33 C37 Fe1 69.0(15) . .
C36 C37 H37 127.5 . .
C33 C37 H37 127.5 . .
Fe1 C37 H37 125.5 . .
C39 C38 C42 106(2) . .
C39 C38 C44 124(3) . .
C42 C38 C44 128(2) . .
C39 C38 Fe1 67.1(15) . .
C42 C38 Fe1 66.3(14) . .
C44 C38 Fe1 121.8(18) . .
C40 C39 C38 109(3) . .
C40 C39 Fe1 72.0(17) . .
C38 C39 Fe1 73.0(15) . .
C40 C39 H39 125.5 . .
C38 C39 H39 125.5 . .
Fe1 C39 H39 121.1 . .
C41 C40 C39 112(3) . .
C41 C40 Fe1 70.3(16) . .
C39 C40 Fe1 68.8(17) . .
C41 C40 H40 124.2 . .
C39 C40 H40 124.2 . .
Fe1 C40 H40 128.5 . .
C40 C41 C42 105(3) . .
C40 C41 Fe1 70.9(17) . .
C42 C41 Fe1 66.9(16) . .
C40 C41 H41 127.5 . .
C42 C41 H41 127.5 . .
Fe1 C41 H41 126.2 . .
C38 C42 C41 108(2) . .
C38 C42 Fe1 73.3(15) . .
C41 C42 Fe1 70.4(15) . .
C38 C42 H42 126.2 . .
C41 C42 H42 126.2 . .
Fe1 C42 H42 121.8 . .
O6 C43 O5 120(3) . .
O6 C43 C33 120(3) . .
O5 C43 C33 120(3) . .
O8 C44 O7 123(2) . .
O8 C44 C38 122(3) . .
O7 C44 C38 115(2) . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Tl1 O3 2.655(17) .
Tl1 Pt1 3.0298(18) .
Tl1 Pt2 3.0657(19) .
Tl1 O1 3.099(14) .
Tl2 O5 2.574(18) .
Tl2 O6 2.912(19) .
Tl2 Pt1 3.0483(19) 1_655
Tl2 Pt2 3.111(2) .
Pt1 N1 1.95(2) .
Pt1 N4 2.021(18) .
Pt1 N2 2.026(19) .
Pt1 N3 2.073(19) .
Pt1 Tl2 3.0483(19) 1_455
Pt2 N5 2.00(2) .
Pt2 N6 2.047(18) .
Pt2 N8 2.051(17) .
Pt2 N7 2.063(19) .
Fe1 C42 1.98(3) .
Fe1 C39 2.00(3) .
Fe1 C41 2.03(3) .
Fe1 C40 2.04(3) .
Fe1 C35 2.04(3) .
Fe1 C33 2.06(3) .
Fe1 C36 2.07(2) .
Fe1 C37 2.07(3) .
Fe1 C38 2.07(2) .
Fe1 C34 2.07(3) .
O1 C1 1.28(2) .
O2 C6 1.28(3) .
O3 C17 1.24(3) .
O4 C22 1.28(3) .
O5 C43 1.30(3) .
O6 C43 1.30(3) .
O7 C44 1.26(3) .
O8 C44 1.24(3) .
C8 C7 1.518(18) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C14 C13 1.41(6) .
C14 C15 1.516(18) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C24 C23 1.528(18) .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C8' C7 1.513(18) .
C8' H8'1 0.9600 .
C8' H8'2 0.9600 .
C8' H8'3 0.9600 .
C14' C15 1.546(18) .
C14' C13 1.64(6) .
C14' H14C 0.9700 .
C14' H14D 0.9700 .
C24' C23 1.523(18) .
C24' H24D 0.9600 .
C24' H24E 0.9600 .
C24' H24F 0.9600 .
N1 C1 1.35(3) .
N1 H1 0.9000 .
N2 C6 1.302(16) .
N2 H2 0.9000 .
N3 C11 1.48(3) .
N3 H3D 0.9000 .
N3 H3E 0.9000 .
N4 C12 1.51(3) .
N4 H4D 0.9000 .
N4 H4E 0.9000 .
N5 C17 1.29(3) .
N5 H5 0.8600 .
N6 C22 1.26(3) .
N6 H6 0.9000 .
N7 C27 1.51(3) .
N7 H7A 0.9000 .
N7 H7B 0.9000 .
N8 C28 1.49(3) .
N8 H8D 0.9000 .
N8 H8E 0.9000 .
C1 C2 1.53(3) .
C2 C5 1.50(3) .
C2 C4 1.53(3) .
C2 C3 1.58(3) .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 C7 1.484(16) .
C7 C10 1.509(16) .
C7 C9 1.518(15) .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.53(3) .
C11 C16 1.58(4) .
C11 H11 0.9800 .
C12 C13 1.56(3) .
C12 H12 0.9800 .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C15 C16 1.58(3) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.53(3) .
C18 C20 1.524(17) .
C18 C19 1.531(17) .
C18 C21 1.57(3) .
C19 H19A 0.9600 .
C19 H19B 0.9601 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.514(17) .
C23 C25 1.47(4) .
C23 C26 1.562(17) .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C27 C32 1.52(3) .
C27 C28 1.53(3) .
C27 H27 0.9800 .
C28 C29 1.56(3) .
C28 H28 0.9800 .
C29 C30 1.51(3) .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C30 C31 1.502(17) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C31 C32 1.55(4) .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C43 1.41(4) .
C33 C37 1.46(3) .
C33 C34 1.47(4) .
C34 C35 1.44(4) .
C34 H34 0.9300 .
C35 C36 1.33(4) .
C35 H35 0.9300 .
C36 C37 1.43(4) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.39(3) .
C38 C42 1.40(3) .
C38 C44 1.500(17) .
C39 C40 1.35(4) .
C39 H39 0.9300 .
C40 C41 1.35(3) .
C40 H40 0.9300 .
C41 C42 1.46(4) .
C41 H41 0.9300 .
C42 H42 0.9300 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
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_4
O3 Tl1 Pt1 N1 62.3(8) . .
Pt2 Tl1 Pt1 N1 -47.6(6) . .
O1 Tl1 Pt1 N1 -37.4(6) . .
O3 Tl1 Pt1 N4 156.2(7) . .
Pt2 Tl1 Pt1 N4 46.3(5) . .
O1 Tl1 Pt1 N4 56.5(6) . .
O3 Tl1 Pt1 N2 -27.5(8) . .
Pt2 Tl1 Pt1 N2 -137.4(5) . .
O1 Tl1 Pt1 N2 -127.1(6) . .
O3 Tl1 Pt1 N3 -121.9(8) . .
Pt2 Tl1 Pt1 N3 128.2(6) . .
O1 Tl1 Pt1 N3 138.5(6) . .
O3 Tl1 Pt1 Tl2 -13.3(6) . 1_455
Pt2 Tl1 Pt1 Tl2 -123.20(15) . 1_455
O1 Tl1 Pt1 Tl2 -112.9(3) . 1_455
O3 Tl1 Pt2 N5 -28.0(8) . .
Pt1 Tl1 Pt2 N5 101.6(6) . .
O1 Tl1 Pt2 N5 92.3(7) . .
O3 Tl1 Pt2 N6 62.6(8) . .
Pt1 Tl1 Pt2 N6 -167.7(6) . .
O1 Tl1 Pt2 N6 -177.1(7) . .
O3 Tl1 Pt2 N8 -121.9(7) . .
Pt1 Tl1 Pt2 N8 7.8(6) . .
O1 Tl1 Pt2 N8 -1.6(6) . .
O3 Tl1 Pt2 N7 154.1(7) . .
Pt1 Tl1 Pt2 N7 -76.3(6) . .
O1 Tl1 Pt2 N7 -85.6(7) . .
O3 Tl1 Pt2 Tl2 27.5(5) . .
Pt1 Tl1 Pt2 Tl2 157.12(12) . .
O1 Tl1 Pt2 Tl2 147.8(3) . .
O5 Tl2 Pt2 N5 -104.3(8) . .
O6 Tl2 Pt2 N5 -152.2(7) . .
Pt1 Tl2 Pt2 N5 135.6(6) 1_655 .
O5 Tl2 Pt2 N6 164.6(7) . .
O6 Tl2 Pt2 N6 116.6(7) . .
Pt1 Tl2 Pt2 N6 44.4(6) 1_655 .
O5 Tl2 Pt2 N8 -10.8(7) . .
O6 Tl2 Pt2 N8 -58.7(7) . .
Pt1 Tl2 Pt2 N8 -130.9(6) 1_655 .
O5 Tl2 Pt2 N7 74.3(8) . .
O6 Tl2 Pt2 N7 26.4(7) . .
Pt1 Tl2 Pt2 N7 -45.9(6) 1_655 .
O5 Tl2 Pt2 Tl1 -159.7(5) . .
O6 Tl2 Pt2 Tl1 152.4(4) . .
Pt1 Tl2 Pt2 Tl1 80.2(2) 1_655 .
O3 Tl1 O1 C1 -70.9(12) . .
Pt1 Tl1 O1 C1 54.3(11) . .
Pt2 Tl1 O1 C1 -131.8(12) . .
Pt1 Tl1 O3 C17 -101.7(16) . .
Pt2 Tl1 O3 C17 41.6(16) . .
O1 Tl1 O3 C17 -26.5(18) . .
O6 Tl2 O5 C43 6.6(15) . .
Pt1 Tl2 O5 C43 71.0(16) 1_655 .
Pt2 Tl2 O5 C43 -89.8(15) . .
O5 Tl2 O6 C43 -6.4(15) . .
Pt1 Tl2 O6 C43 -120.8(15) 1_655 .
Pt2 Tl2 O6 C43 80.8(15) . .
N4 Pt1 N1 C1 -46(2) . .
N2 Pt1 N1 C1 131(2) . .
N3 Pt1 N1 C1 -42(13) . .
Tl1 Pt1 N1 C1 47(2) . .
Tl2 Pt1 N1 C1 -147(2) 1_455 .
N1 Pt1 N2 C6 41(2) . .
N4 Pt1 N2 C6 -173(9) . .
N3 Pt1 N2 C6 -139(2) . .
Tl1 Pt1 N2 C6 126.7(19) . .
Tl2 Pt1 N2 C6 -49.7(19) 1_455 .
N1 Pt1 N3 C11 -10(12) . .
N4 Pt1 N3 C11 -5.4(15) . .
N2 Pt1 N3 C11 177.0(16) . .
Tl1 Pt1 N3 C11 -98.7(15) . .
Tl2 Pt1 N3 C11 95.0(15) 1_455 .
N1 Pt1 N4 C12 155.0(15) . .
N2 Pt1 N4 C12 9(11) . .
N3 Pt1 N4 C12 -24.7(14) . .
Tl1 Pt1 N4 C12 69.1(13) . .
Tl2 Pt1 N4 C12 -113.5(13) 1_455 .
N6 Pt2 N5 C17 -52(2) . .
N8 Pt2 N5 C17 129(2) . .
N7 Pt2 N5 C17 76(15) . .
Tl1 Pt2 N5 C17 34(2) . .
Tl2 Pt2 N5 C17 -131(2) . .
N5 Pt2 N6 C22 -131(2) . .
N8 Pt2 N6 C22 40(9) . .
N7 Pt2 N6 C22 52(2) . .
Tl1 Pt2 N6 C22 144(2) . .
Tl2 Pt2 N6 C22 -46(2) . .
N5 Pt2 N7 C27 35(15) . .
N6 Pt2 N7 C27 162.9(15) . .
N8 Pt2 N7 C27 -18.0(14) . .
Tl1 Pt2 N7 C27 76.6(14) . .
Tl2 Pt2 N7 C27 -117.6(14) . .
N5 Pt2 N8 C28 171.7(14) . .
N6 Pt2 N8 C28 0(9) . .
N7 Pt2 N8 C28 -10.8(14) . .
Tl1 Pt2 N8 C28 -103.2(13) . .
Tl2 Pt2 N8 C28 85.8(13) . .
Tl1 O1 C1 N1 -49(2) . .
Tl1 O1 C1 C2 125.7(19) . .
Pt1 N1 C1 O1 2(4) . .
Pt1 N1 C1 C2 -172.7(17) . .
O1 C1 C2 C5 153(2) . .
N1 C1 C2 C5 -32(3) . .
O1 C1 C2 C4 -83(3) . .
N1 C1 C2 C4 92(3) . .
O1 C1 C2 C3 33(3) . .
N1 C1 C2 C3 -152(2) . .
Pt1 N2 C6 O2 7(3) . .
Pt1 N2 C6 C7 -178.4(15) . .
O2 C6 C7 C10 60(3) . .
N2 C6 C7 C10 -115(2) . .
O2 C6 C7 C8' 171(3) . .
N2 C6 C7 C8' -4(4) . .
O2 C6 C7 C8 179(2) . .
N2 C6 C7 C8 5(3) . .
O2 C6 C7 C9 -68(2) . .
N2 C6 C7 C9 117(2) . .
Pt1 N3 C11 C12 34(2) . .
Pt1 N3 C11 C16 159.1(16) . .
Pt1 N4 C12 C11 49(2) . .
Pt1 N4 C12 C13 167.0(15) . .
N3 C11 C12 N4 -53(3) . .
C16 C11 C12 N4 -176(2) . .
N3 C11 C12 C13 -176(2) . .
C16 C11 C12 C13 61(3) . .
C15 C14 C13 C12 44(5) . .
C15 C14 C13 C14' 87(6) . .
N4 C12 C13 C14 -170(3) . .
C11 C12 C13 C14 -54(3) . .
N4 C12 C13 C14' 175.9(18) . .
C11 C12 C13 C14' -68(2) . .
C15 C14' C13 C14 -67(4) . .
C15 C14' C13 C12 75(3) . .
C13 C14 C15 C14' -101(11) . .
C13 C14 C15 C16 -43(5) . .
C13 C14' C15 C14 52(9) . .
C13 C14' C15 C16 -78(3) . .
N3 C11 C16 C15 -176.5(17) . .
C12 C11 C16 C15 -55(3) . .
C14 C15 C16 C11 46(4) . .
C14' C15 C16 C11 66(3) . .
Tl1 O3 C17 N5 -37(3) . .
Tl1 O3 C17 C18 144.9(16) . .
Pt2 N5 C17 O3 -6(4) . .
Pt2 N5 C17 C18 172.6(18) . .
O3 C17 C18 C20 -170(2) . .
N5 C17 C18 C20 11(4) . .
O3 C17 C18 C19 68(3) . .
N5 C17 C18 C19 -111(3) . .
O3 C17 C18 C21 -53(3) . .
N5 C17 C18 C21 129(3) . .
Pt2 N6 C22 O4 7(4) . .
Pt2 N6 C22 C23 -178.3(16) . .
N6 C22 C23 C25 142(3) . .
O4 C22 C23 C25 -43(3) . .
N6 C22 C23 C24' 37(4) . .
O4 C22 C23 C24' -148(3) . .
N6 C22 C23 C24 3(4) . .
O4 C22 C23 C24 178(3) . .
N6 C22 C23 C26 -106(3) . .
O4 C22 C23 C26 69(3) . .
Pt2 N7 C27 C32 164.9(16) . .
Pt2 N7 C27 C28 40.8(19) . .
Pt2 N8 C28 C27 39(2) . .
Pt2 N8 C28 C29 162.5(15) . .
N7 C27 C28 N8 -52(2) . .
C32 C27 C28 N8 -178(2) . .
N7 C27 C28 C29 -178.0(18) . .
C32 C27 C28 C29 57(3) . .
N8 C28 C29 C30 -178.5(18) . .
C27 C28 C29 C30 -53(3) . .
C28 C29 C30 C31 57(3) . .
C29 C30 C31 C32 -62(3) . .
N7 C27 C32 C31 -177.8(19) . .
C28 C27 C32 C31 -59(3) . .
C30 C31 C32 C27 61(3) . .
C42 Fe1 C33 C43 -42(3) . .
C39 Fe1 C33 C43 76(4) . .
C41 Fe1 C33 C43 2(3) . .
C40 Fe1 C33 C43 42(3) . .
C35 Fe1 C33 C43 -160(3) . .
C36 Fe1 C33 C43 159(3) . .
C37 Fe1 C33 C43 120(3) . .
C38 Fe1 C33 C43 -75(4) . .
C34 Fe1 C33 C43 -121(3) . .
C42 Fe1 C33 C37 -162.8(16) . .
C39 Fe1 C33 C37 -44(4) . .
C41 Fe1 C33 C37 -117.9(17) . .
C40 Fe1 C33 C37 -78.8(19) . .
C35 Fe1 C33 C37 80.0(17) . .
C36 Fe1 C33 C37 39.1(17) . .
C38 Fe1 C33 C37 165(2) . .
C34 Fe1 C33 C37 119(2) . .
C42 Fe1 C33 C34 78.3(17) . .
C39 Fe1 C33 C34 -163(3) . .
C41 Fe1 C33 C34 123.3(16) . .
C40 Fe1 C33 C34 162.4(15) . .
C35 Fe1 C33 C34 -38.9(15) . .
C36 Fe1 C33 C34 -79.7(16) . .
C37 Fe1 C33 C34 -119(2) . .
C38 Fe1 C33 C34 46(3) . .
C43 C33 C34 C35 172(3) . .
C37 C33 C34 C35 0(3) . .
Fe1 C33 C34 C35 59.2(17) . .
C43 C33 C34 Fe1 113(3) . .
C37 C33 C34 Fe1 -59.3(18) . .
C42 Fe1 C34 C35 123.0(17) . .
C39 Fe1 C34 C35 50(3) . .
C41 Fe1 C34 C35 166.1(17) . .
C40 Fe1 C34 C35 -170(3) . .
C33 Fe1 C34 C35 -117(2) . .
C36 Fe1 C34 C35 -34.9(16) . .
C37 Fe1 C34 C35 -78.6(18) . .
C38 Fe1 C34 C35 81.6(19) . .
C42 Fe1 C34 C33 -120.2(15) . .
C39 Fe1 C34 C33 167(2) . .
C41 Fe1 C34 C33 -77.1(19) . .
C40 Fe1 C34 C33 -53(4) . .
C35 Fe1 C34 C33 117(2) . .
C36 Fe1 C34 C33 81.9(14) . .
C37 Fe1 C34 C33 38.2(15) . .
C38 Fe1 C34 C33 -161.5(14) . .
C33 C34 C35 C36 2(3) . .
Fe1 C34 C35 C36 61(2) . .
C33 C34 C35 Fe1 -59.5(18) . .
C42 Fe1 C35 C36 164.0(15) . .
C39 Fe1 C35 C36 80.5(19) . .
C41 Fe1 C35 C36 -162(3) . .
C40 Fe1 C35 C36 52(4) . .
C33 Fe1 C35 C36 -81.0(16) . .
C37 Fe1 C35 C36 -36.1(15) . .
C38 Fe1 C35 C36 122.2(16) . .
C34 Fe1 C35 C36 -121(2) . .
C42 Fe1 C35 C34 -75(2) . .
C39 Fe1 C35 C34 -158.8(16) . .
C41 Fe1 C35 C34 -42(5) . .
C40 Fe1 C35 C34 172(3) . .
C33 Fe1 C35 C34 39.7(16) . .
C36 Fe1 C35 C34 121(2) . .
C37 Fe1 C35 C34 84.6(18) . .
C38 Fe1 C35 C34 -117.1(18) . .
C34 C35 C36 C37 -3(3) . .
Fe1 C35 C36 C37 58(2) . .
C34 C35 C36 Fe1 -60.4(19) . .
C42 Fe1 C36 C35 -38(3) . .
C39 Fe1 C36 C35 -117.0(18) . .
C41 Fe1 C36 C35 166(3) . .
C40 Fe1 C36 C35 -157.6(17) . .
C33 Fe1 C36 C35 83.1(18) . .
C37 Fe1 C36 C35 123(2) . .
C38 Fe1 C36 C35 -75.3(19) . .
C34 Fe1 C36 C35 37.7(17) . .
C42 Fe1 C36 C37 -161(2) . .
C39 Fe1 C36 C37 119.8(17) . .
C41 Fe1 C36 C37 43(3) . .
C40 Fe1 C36 C37 79.2(19) . .
C35 Fe1 C36 C37 -123(2) . .
C33 Fe1 C36 C37 -40.0(16) . .
C38 Fe1 C36 C37 161.6(15) . .
C34 Fe1 C36 C37 -85.4(18) . .
C35 C36 C37 C33 3(3) . .
Fe1 C36 C37 C33 60.3(18) . .
C35 C36 C37 Fe1 -58(2) . .
C43 C33 C37 C36 -173(3) . .
C34 C33 C37 C36 -1(3) . .
Fe1 C33 C37 C36 -60.7(18) . .
C43 C33 C37 Fe1 -113(3) . .
C34 C33 C37 Fe1 59.3(19) . .
C42 Fe1 C37 C36 161(3) . .
C39 Fe1 C37 C36 -80(2) . .
C41 Fe1 C37 C36 -162.6(16) . .
C40 Fe1 C37 C36 -121.3(17) . .
C35 Fe1 C37 C36 33.7(15) . .
C33 Fe1 C37 C36 116(2) . .
C38 Fe1 C37 C36 -48(4) . .
C34 Fe1 C37 C36 77.6(18) . .
C42 Fe1 C37 C33 45(4) . .
C39 Fe1 C37 C33 164.0(16) . .
C41 Fe1 C37 C33 81.4(18) . .
C40 Fe1 C37 C33 122.6(17) . .
C35 Fe1 C37 C33 -82.4(17) . .
C36 Fe1 C37 C33 -116(2) . .
C38 Fe1 C37 C33 -164(3) . .
C34 Fe1 C37 C33 -38.4(16) . .
C42 Fe1 C38 C39 121(2) . .
C41 Fe1 C38 C39 80.3(18) . .
C40 Fe1 C38 C39 38.1(16) . .
C35 Fe1 C38 C39 -117.6(18) . .
C33 Fe1 C38 C39 166(3) . .
C36 Fe1 C38 C39 -79(2) . .
C37 Fe1 C38 C39 -44(4) . .
C34 Fe1 C38 C39 -160.5(17) . .
C39 Fe1 C38 C42 -121(2) . .
C41 Fe1 C38 C42 -40.9(15) . .
C40 Fe1 C38 C42 -83.0(16) . .
C35 Fe1 C38 C42 121.3(16) . .
C33 Fe1 C38 C42 44(3) . .
C36 Fe1 C38 C42 159.8(16) . .
C37 Fe1 C38 C42 -165(3) . .
C34 Fe1 C38 C42 78.4(18) . .
C42 Fe1 C38 C44 -121(3) . .
C39 Fe1 C38 C44 117(3) . .
C41 Fe1 C38 C44 -162(3) . .
C40 Fe1 C38 C44 156(3) . .
C35 Fe1 C38 C44 0(2) . .
C33 Fe1 C38 C44 -77(4) . .
C36 Fe1 C38 C44 38(3) . .
C37 Fe1 C38 C44 74(4) . .
C34 Fe1 C38 C44 -43(3) . .
C42 C38 C39 C40 -9(3) . .
C44 C38 C39 C40 -177(3) . .
Fe1 C38 C39 C40 -64(2) . .
C42 C38 C39 Fe1 54.8(17) . .
C44 C38 C39 Fe1 -114(3) . .
C42 Fe1 C39 C40 80.5(18) . .
C41 Fe1 C39 C40 34.2(17) . .
C35 Fe1 C39 C40 -162.3(17) . .
C33 Fe1 C39 C40 -46(4) . .
C36 Fe1 C39 C40 -122.6(18) . .
C37 Fe1 C39 C40 -80(2) . .
C38 Fe1 C39 C40 117(2) . .
C34 Fe1 C39 C40 162(2) . .
C42 Fe1 C39 C38 -36.6(15) . .
C41 Fe1 C39 C38 -82.9(17) . .
C40 Fe1 C39 C38 -117(2) . .
C35 Fe1 C39 C38 80.6(19) . .
C33 Fe1 C39 C38 -163(3) . .
C36 Fe1 C39 C38 120.3(17) . .
C37 Fe1 C39 C38 162.9(16) . .
C34 Fe1 C39 C38 45(3) . .
C38 C39 C40 C41 7(3) . .
Fe1 C39 C40 C41 -57(2) . .
C38 C39 C40 Fe1 64.1(19) . .
C42 Fe1 C40 C41 41.1(18) . .
C39 Fe1 C40 C41 124(3) . .
C35 Fe1 C40 C41 165(3) . .
C33 Fe1 C40 C41 -73(2) . .
C36 Fe1 C40 C41 -159.4(17) . .
C37 Fe1 C40 C41 -116.7(19) . .
C38 Fe1 C40 C41 85.2(19) . .
C34 Fe1 C40 C41 -32(5) . .
C42 Fe1 C40 C39 -82.8(18) . .
C41 Fe1 C40 C39 -124(3) . .
C35 Fe1 C40 C39 41(4) . .
C33 Fe1 C40 C39 163.0(16) . .
C36 Fe1 C40 C39 77(2) . .
C37 Fe1 C40 C39 119.4(18) . .
C38 Fe1 C40 C39 -38.7(16) . .
C34 Fe1 C40 C39 -156(3) . .
C39 C40 C41 C42 -2(3) . .
Fe1 C40 C41 C42 -58.5(17) . .
C39 C40 C41 Fe1 56(2) . .
C42 Fe1 C41 C40 -116(3) . .
C39 Fe1 C41 C40 -34.6(18) . .
C35 Fe1 C41 C40 -159(4) . .
C33 Fe1 C41 C40 125.5(19) . .
C36 Fe1 C41 C40 51(4) . .
C37 Fe1 C41 C40 82(2) . .
C38 Fe1 C41 C40 -77.7(19) . .
C34 Fe1 C41 C40 168.5(18) . .
C39 Fe1 C41 C42 81.8(17) . .
C40 Fe1 C41 C42 116(3) . .
C35 Fe1 C41 C42 -43(5) . .
C33 Fe1 C41 C42 -118.1(16) . .
C36 Fe1 C41 C42 167(2) . .
C37 Fe1 C41 C42 -161.6(15) . .
C38 Fe1 C41 C42 38.7(14) . .
C34 Fe1 C41 C42 -75(2) . .
C39 C38 C42 C41 7(3) . .
C44 C38 C42 C41 175(3) . .
Fe1 C38 C42 C41 62.5(17) . .
C39 C38 C42 Fe1 -55.2(17) . .
C44 C38 C42 Fe1 113(3) . .
C40 C41 C42 C38 -3(3) . .
Fe1 C41 C42 C38 -64.4(17) . .
C40 C41 C42 Fe1 61.2(18) . .
C39 Fe1 C42 C38 36.2(15) . .
C41 Fe1 C42 C38 116(2) . .
C40 Fe1 C42 C38 78.7(16) . .
C35 Fe1 C42 C38 -77.8(18) . .
C33 Fe1 C42 C38 -161.9(15) . .
C36 Fe1 C42 C38 -51(3) . .
C37 Fe1 C42 C38 165(3) . .
C34 Fe1 C42 C38 -119.1(16) . .
C39 Fe1 C42 C41 -79.9(17) . .
C40 Fe1 C42 C41 -37.4(16) . .
C35 Fe1 C42 C41 166.0(16) . .
C33 Fe1 C42 C41 82.0(18) . .
C36 Fe1 C42 C41 -167(2) . .
C37 Fe1 C42 C41 49(4) . .
C38 Fe1 C42 C41 -116(2) . .
C34 Fe1 C42 C41 124.8(17) . .
Tl2 O6 C43 O5 11(2) . .
Tl2 O6 C43 C33 -174(3) . .
Tl2 O5 C43 O6 -13(3) . .
Tl2 O5 C43 C33 172(2) . .
C37 C33 C43 O6 -11(5) . .
C34 C33 C43 O6 179(2) . .
Fe1 C33 C43 O6 -96(3) . .
C37 C33 C43 O5 165(2) . .
C34 C33 C43 O5 -6(5) . .
Fe1 C33 C43 O5 80(3) . .
C39 C38 C44 O8 1(4) . .
C42 C38 C44 O8 -165(2) . .
Fe1 C38 C44 O8 -81(3) . .
C39 C38 C44 O7 177(2) . .
C42 C38 C44 O7 11(4) . .
Fe1 C38 C44 O7 95(3) . .
