# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1Hg3
_database_code_depnum_ccdc_archive 'CCDC 2175141'
loop_
_audit_author_name
_audit_author_address
'Victor Khrustalev'
;Peoples Friendship University of Russia (RUDN University, Moscow)
Russia
;
_audit_update_record             
;
2022-05-26 deposited with the CCDC.	2022-11-18 downloaded from the CCDC.
;
_audit_creation_date             2021-10-23
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         '2(C34 H15 F12 Hg3 N O2 Pt)'
_chemical_formula_sum            'C68 H30 F24 Hg6 N2 O4 Pt2'
_chemical_formula_weight         2988.66
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0018 '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'
F F 0.0199 0.0115 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.9722 9.9715 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0074 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0129 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -2.0791 9.0762 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.8150(6)
_cell_length_b                   11.8179(12)
_cell_length_c                   23.580(2)
_cell_angle_alpha                78.260(10)
_cell_angle_beta                 88.380(11)
_cell_angle_gamma                73.801(9)
_cell_volume                     1784.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    1000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.833
_shelx_estimated_absorpt_T_min   0.230
_exptl_absorpt_coefficient_mu    18.959
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.781
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1336
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ?                                                     
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_av_unetI/netI     0.0581
_diffrn_reflns_Laue_measured_fraction_full 0.947
_diffrn_reflns_Laue_measured_fraction_max 0.948
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            20243
_diffrn_reflns_point_group_measured_fraction_full 0.947
_diffrn_reflns_point_group_measured_fraction_max 0.948
_diffrn_reflns_theta_full        26.551
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         1.955
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.947
_diffrn_measured_fraction_theta_max 0.948
_diffrn_measurement_device_type  'Rayonix SX165 CCD'
_diffrn_measurement_method       '/f scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.745
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5721
_reflns_number_total             6769
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_data_reduction        iMosflm
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_refine_diff_density_max         3.861
_refine_diff_density_min         -3.762
_refine_diff_density_rms         0.313
_refine_ls_extinction_coef       0.0021(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         6769
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0749
_refine_ls_R_factor_gt           0.0662
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0490P)²+74.5948P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1578
_refine_ls_wR_factor_ref         0.1628
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{C34, N34}
{N1, C1A}
2. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(C34)
Uanis(N1) = Uanis(C1A)
Uanis(C34) = Uanis(N34)
3. Others
 Fixed Sof: N1(0.7) C34(0.7) N34(0.3) C1A(0.3)
4.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C24(H24), C25(H25), C26(H26), C27(H27), C30(H30), C31(H31),
 C32(H32), C33(H33)
4.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C23(H23A,H23B,H23C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.86444(10) 0.58201(6) 0.15741(3) 0.0386(2) Uani 1 1 d . . . . .
Hg2 Hg 0.96249(12) 0.70201(7) 0.27929(3) 0.0471(2) Uani 1 1 d . . . . .
Hg3 Hg 1.12390(12) 0.38419(7) 0.28674(3) 0.0457(2) Uani 1 1 d . . . . .
Pt1 Pt 0.43399(11) 0.55849(6) 0.20139(3) 0.0392(2) Uani 1 1 d . . . . .
F1 F 0.6369(18) 0.8048(9) 0.0608(5) 0.051(3) Uani 1 1 d . . . . .
F2 F 0.505(2) 1.0441(11) 0.0582(5) 0.064(3) Uani 1 1 d . . . . .
F3 F 0.588(2) 1.1319(10) 0.1495(5) 0.062(3) Uani 1 1 d . . . . .
F4 F 0.799(2) 0.9829(11) 0.2441(5) 0.063(3) Uani 1 1 d . . . . .
F5 F 1.0435(19) 0.7432(12) 0.4042(5) 0.061(3) Uani 1 1 d . . . . .
F6 F 1.209(2) 0.5900(14) 0.5036(5) 0.073(4) Uani 1 1 d . . . . .
F7 F 1.325(2) 0.3532(14) 0.5088(5) 0.077(4) Uani 1 1 d . . . . .
F8 F 1.289(2) 0.2619(12) 0.4153(5) 0.066(3) Uani 1 1 d . . . . .
F9 F 1.244(2) 0.1221(10) 0.2625(5) 0.058(3) Uani 1 1 d . . . . .
F10 F 1.1648(19) 0.0311(10) 0.1725(5) 0.057(3) Uani 1 1 d . . . . .
F11 F 0.9534(19) 0.1766(10) 0.0778(5) 0.055(3) Uani 1 1 d . . . . .
F12 F 0.8245(17) 0.4165(9) 0.0712(4) 0.045(2) Uani 1 1 d . . . . .
O1 O 0.302(2) 0.7136(12) 0.1439(5) 0.047(3) Uani 1 1 d . . . . .
O2 O 0.426(2) 0.4521(13) 0.1434(5) 0.048(3) Uani 1 1 d . . . . .
N1 N 0.565(2) 0.4171(14) 0.2633(6) 0.039(2) Uani 0.7 1 d . . P A 1
C1 C 0.780(3) 0.7665(17) 0.1546(8) 0.045(4) Uani 1 1 d . . . . .
C2 C 0.679(3) 0.8456(18) 0.1087(8) 0.047(4) Uani 1 1 d . . . . .
C3 C 0.611(3) 0.9675(16) 0.1047(9) 0.047(4) Uani 1 1 d . . . . .
C4 C 0.653(3) 1.0125(19) 0.1513(9) 0.052(5) Uani 1 1 d . . . . .
C5 C 0.760(4) 0.935(2) 0.1986(8) 0.055(5) Uani 1 1 d . . . . .
C6 C 0.823(3) 0.8135(17) 0.2032(7) 0.042(4) Uani 1 1 d . . . . .
C7 C 1.085(3) 0.581(2) 0.3551(8) 0.050(5) Uani 1 1 d . . . . .
C8 C 1.102(3) 0.6274(19) 0.4051(9) 0.052(5) Uani 1 1 d . . . . .
C9 C 1.187(4) 0.553(3) 0.4558(8) 0.066(6) Uani 1 1 d . . . . .
C10 C 1.253(3) 0.427(2) 0.4590(8) 0.055(5) Uani 1 1 d . . . . .
C11 C 1.227(3) 0.383(2) 0.4100(8) 0.054(5) Uani 1 1 d . . . . .
C12 C 1.148(3) 0.458(2) 0.3578(7) 0.058(6) Uani 1 1 d . . . . .
C13 C 1.078(2) 0.3190(15) 0.2143(7) 0.034(3) Uani 1 1 d . . . . .
C14 C 1.138(3) 0.2001(17) 0.2156(8) 0.043(4) Uani 1 1 d . . . . .
C15 C 1.098(3) 0.1501(16) 0.1701(9) 0.049(5) Uani 1 1 d . . . . .
C16 C 0.996(3) 0.2232(18) 0.1219(8) 0.045(4) Uani 1 1 d . . . . .
C17 C 0.930(3) 0.3434(18) 0.1201(7) 0.045(4) Uani 1 1 d . . . . .
C18 C 0.965(3) 0.3970(15) 0.1659(8) 0.045(4) Uani 1 1 d . . . . .
C19 C 0.157(4) 0.8360(17) 0.0580(8) 0.054(5) Uani 1 1 d . . . . .
H19A H 0.1267 0.8943 0.0836 0.081 Uiso 1 1 calc R U . . .
H19B H 0.0315 0.8395 0.0378 0.081 Uiso 1 1 calc R U . . .
H19C H 0.2568 0.8555 0.0296 0.081 Uiso 1 1 calc R U . . .
C20 C 0.243(3) 0.7149(16) 0.0926(8) 0.044(4) Uani 1 1 d . . . . .
C21 C 0.249(3) 0.615(2) 0.0679(7) 0.048(5) Uani 1 1 d . . . . .
H21 H 0.1867 0.6315 0.0305 0.057 Uiso 1 1 calc R U . . .
C22 C 0.333(3) 0.5014(19) 0.0916(7) 0.047(4) Uani 1 1 d . . . . .
C23 C 0.359(3) 0.3983(17) 0.0557(8) 0.047(4) Uani 1 1 d . . . . .
H23A H 0.2330 0.4130 0.0328 0.070 Uiso 1 1 calc R U . . .
H23B H 0.3851 0.3202 0.0825 0.070 Uiso 1 1 calc R U . . .
H23C H 0.4735 0.3982 0.0298 0.070 Uiso 1 1 calc R U . . .
C24 C 0.610(3) 0.3014(18) 0.2597(8) 0.049(5) Uani 1 1 d . . . . .
H24 H 0.5741 0.2813 0.2251 0.059 Uiso 1 1 calc R U . A 1
C25 C 0.706(4) 0.210(2) 0.3051(9) 0.063(6) Uani 1 1 d . . . . .
H25 H 0.7410 0.1286 0.3007 0.076 Uiso 1 1 calc R U . . .
C26 C 0.751(4) 0.237(2) 0.3572(8) 0.065(7) Uani 1 1 d . . . . .
H26 H 0.8085 0.1750 0.3896 0.078 Uiso 1 1 calc R U . . .
C27 C 0.709(4) 0.359(2) 0.3602(9) 0.062(6) Uani 1 1 d . . . . .
H27 H 0.7444 0.3815 0.3940 0.074 Uiso 1 1 calc R U . . .
C28 C 0.615(3) 0.4442(16) 0.3138(8) 0.044(4) Uani 1 1 d . . . . .
C29 C 0.551(3) 0.5740(19) 0.3142(7) 0.046(4) Uani 1 1 d . . . . .
C30 C 0.574(3) 0.6253(16) 0.3620(8) 0.045(4) Uani 1 1 d . . . . .
H30 H 0.6384 0.5762 0.3973 0.054 Uiso 1 1 calc R U . . .
C31 C 0.501(3) 0.7481(18) 0.3559(7) 0.045(4) Uani 1 1 d . . . . .
H31 H 0.5137 0.7835 0.3879 0.054 Uiso 1 1 calc R U . . .
C32 C 0.408(3) 0.8233(16) 0.3037(9) 0.045(4) Uani 1 1 d . . . . .
H32 H 0.3651 0.9084 0.2995 0.054 Uiso 1 1 calc R U . . .
C33 C 0.381(3) 0.7708(16) 0.2604(8) 0.046(4) Uani 1 1 d . . . . .
H33 H 0.3072 0.8197 0.2264 0.055 Uiso 1 1 calc R U . A 1
C34 C 0.459(3) 0.6474(15) 0.2630(7) 0.039(2) Uani 0.7 1 d . . P A 1
N34 N 0.459(3) 0.6474(15) 0.2630(7) 0.039(2) Uani 0.3 1 d . . P A 2
C1A C 0.565(2) 0.4171(14) 0.2633(6) 0.039(2) Uani 0.3 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Hg1 Pt1 3.1502(10) . ?
Hg1 C1 2.081(19) . ?
Hg1 C18 2.070(16) . ?
Hg2 C6 2.073(18) . ?
Hg2 C7 2.08(2) . ?
Hg3 C12 2.072(19) . ?
Hg3 C13 2.076(15) . ?
Pt1 O1 2.035(13) . ?
Pt1 O2 2.048(13) . ?
Pt1 N1 1.993(15) . ?
Pt1 C34 1.995(17) . ?
Pt1 N34 1.995(17) . ?
Pt1 C1A 1.993(15) . ?
F1 C2 1.38(2) . ?
F2 C3 1.35(2) . ?
F3 C4 1.35(2) . ?
F4 C5 1.37(2) . ?
F5 C8 1.31(2) . ?
F6 C9 1.32(2) . ?
F7 C10 1.33(2) . ?
F8 C11 1.35(3) . ?
F9 C14 1.36(2) . ?
F10 C15 1.34(2) . ?
F11 C16 1.35(2) . ?
F12 C17 1.37(2) . ?
O1 C20 1.28(2) . ?
O2 C22 1.34(2) . ?
N1 C24 1.34(2) . ?
N1 C28 1.37(2) . ?
C1 C2 1.34(3) . ?
C1 C6 1.44(2) . ?
C2 C3 1.37(3) . ?
C3 C4 1.38(3) . ?
C4 C5 1.37(3) . ?
C5 C6 1.36(3) . ?
C7 C8 1.41(3) . ?
C7 C12 1.39(3) . ?
C8 C9 1.37(3) . ?
C9 C10 1.42(3) . ?
C10 C11 1.39(3) . ?
C11 C12 1.39(3) . ?
C13 C14 1.34(2) . ?
C13 C18 1.41(2) . ?
C14 C15 1.39(3) . ?
C15 C16 1.35(3) . ?
C16 C17 1.36(3) . ?
C17 C18 1.41(2) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 C20 1.46(3) . ?
C20 C21 1.41(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.31(3) . ?
C22 C23 1.59(3) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24 0.9500 . ?
C24 C25 1.38(3) . ?
C24 C1A 1.34(2) . ?
C25 H25 0.9500 . ?
C25 C26 1.39(3) . ?
C26 H26 0.9500 . ?
C26 C27 1.40(3) . ?
C27 H27 0.9500 . ?
C27 C28 1.36(3) . ?
C28 C29 1.48(3) . ?
C28 C1A 1.37(2) . ?
C29 C30 1.42(3) . ?
C29 C34 1.38(2) . ?
C29 N34 1.38(2) . ?
C30 H30 0.9500 . ?
C30 C31 1.37(3) . ?
C31 H31 0.9500 . ?
C31 C32 1.41(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.34(3) . ?
C33 H33 0.9500 . ?
C33 C34 1.39(2) . ?
C33 N34 1.39(2) . ?

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
C1 Hg1 Pt1 92.4(5) . . ?
C18 Hg1 Pt1 89.3(6) . . ?
C18 Hg1 C1 175.3(8) . . ?
C7 Hg2 C6 174.9(8) . . ?
C12 Hg3 C13 175.7(8) . . ?
O1 Pt1 Hg1 88.5(4) . . ?
O1 Pt1 O2 93.3(5) . . ?
O2 Pt1 Hg1 90.4(3) . . ?
N1 Pt1 Hg1 91.1(4) . . ?
N1 Pt1 O1 174.2(6) . . ?
N1 Pt1 O2 92.5(6) . . ?
N1 Pt1 C34 81.8(7) . . ?
C34 Pt1 Hg1 88.8(5) . . ?
C34 Pt1 O1 92.3(6) . . ?
C34 Pt1 O2 174.3(6) . . ?
N34 Pt1 Hg1 88.8(5) . . ?
N34 Pt1 O1 92.3(6) . . ?
N34 Pt1 O2 174.3(6) . . ?
C1A Pt1 Hg1 91.1(4) . . ?
C1A Pt1 O1 174.2(6) . . ?
C1A Pt1 O2 92.5(6) . . ?
C1A Pt1 N34 81.8(7) . . ?
C20 O1 Pt1 122.8(12) . . ?
C22 O2 Pt1 119.9(13) . . ?
C24 N1 Pt1 126.4(12) . . ?
C24 N1 C28 118.3(15) . . ?
C28 N1 Pt1 115.3(12) . . ?
C2 C1 Hg1 121.7(14) . . ?
C2 C1 C6 117.4(18) . . ?
C6 C1 Hg1 120.9(14) . . ?
C1 C2 F1 119.4(17) . . ?
C1 C2 C3 125.1(18) . . ?
C3 C2 F1 115.5(17) . . ?
F2 C3 C2 123.3(18) . . ?
F2 C3 C4 119.4(17) . . ?
C2 C3 C4 117.3(18) . . ?
F3 C4 C3 119.5(18) . . ?
F3 C4 C5 120.9(19) . . ?
C5 C4 C3 119.6(19) . . ?
F4 C5 C4 118.1(19) . . ?
C6 C5 F4 119.0(19) . . ?
C6 C5 C4 122.9(18) . . ?
C1 C6 Hg2 122.0(14) . . ?
C5 C6 Hg2 120.3(14) . . ?
C5 C6 C1 117.6(18) . . ?
C8 C7 Hg2 118.4(16) . . ?
C12 C7 Hg2 121.7(13) . . ?
C12 C7 C8 119.9(18) . . ?
F5 C8 C7 122(2) . . ?
F5 C8 C9 117.2(19) . . ?
C9 C8 C7 121(2) . . ?
F6 C9 C8 124(3) . . ?
F6 C9 C10 116(2) . . ?
C8 C9 C10 119.4(19) . . ?
F7 C10 C9 119.9(19) . . ?
F7 C10 C11 121(2) . . ?
C11 C10 C9 118.5(18) . . ?
F8 C11 C10 116.5(18) . . ?
F8 C11 C12 121(2) . . ?
C12 C11 C10 122(2) . . ?
C7 C12 Hg3 122.0(14) . . ?
C11 C12 Hg3 119.5(19) . . ?
C11 C12 C7 118.5(18) . . ?
C14 C13 Hg3 120.2(13) . . ?
C14 C13 C18 119.0(15) . . ?
C18 C13 Hg3 120.4(12) . . ?
F9 C14 C15 116.7(17) . . ?
C13 C14 F9 120.3(16) . . ?
C13 C14 C15 123.0(17) . . ?
F10 C15 C14 121.0(19) . . ?
F10 C15 C16 119.6(18) . . ?
C16 C15 C14 119.4(17) . . ?
F11 C16 C15 120.4(18) . . ?
F11 C16 C17 120.8(16) . . ?
C15 C16 C17 118.7(17) . . ?
F12 C17 C18 118.4(17) . . ?
C16 C17 F12 118.2(15) . . ?
C16 C17 C18 123.4(17) . . ?
C13 C18 Hg1 123.5(13) . . ?
C13 C18 C17 116.4(16) . . ?
C17 C18 Hg1 120.1(14) . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
O1 C20 C19 113.7(16) . . ?
O1 C20 C21 127.3(17) . . ?
C21 C20 C19 119.0(17) . . ?
C20 C21 H21 116.8 . . ?
C22 C21 C20 126.4(17) . . ?
C22 C21 H21 116.8 . . ?
O2 C22 C23 108.4(16) . . ?
C21 C22 O2 129.9(18) . . ?
C21 C22 C23 121.4(16) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 H24 119.1 . . ?
N1 C24 C25 121.7(18) . . ?
C25 C24 H24 119.1 . . ?
C1A C24 C25 121.7(18) . . ?
C24 C25 H25 119.9 . . ?
C24 C25 C26 120(2) . . ?
C26 C25 H25 119.9 . . ?
C25 C26 H26 121.2 . . ?
C25 C26 C27 117.7(19) . . ?
C27 C26 H26 121.2 . . ?
C26 C27 H27 120.5 . . ?
C28 C27 C26 119.0(19) . . ?
C28 C27 H27 120.5 . . ?
N1 C28 C29 113.8(16) . . ?
C27 C28 N1 123.1(18) . . ?
C27 C28 C29 123.0(17) . . ?
C27 C28 C1A 123.1(18) . . ?
C1A C28 C29 113.8(16) . . ?
C30 C29 C28 125.1(16) . . ?
C34 C29 C28 114.9(16) . . ?
C34 C29 C30 119.9(18) . . ?
N34 C29 C28 114.9(16) . . ?
N34 C29 C30 119.9(18) . . ?
C29 C30 H30 121.0 . . ?
C31 C30 C29 118.1(17) . . ?
C31 C30 H30 121.0 . . ?
C30 C31 H31 118.9 . . ?
C30 C31 C32 122.2(17) . . ?
C32 C31 H31 118.9 . . ?
C31 C32 H32 121.1 . . ?
C33 C32 C31 117.8(17) . . ?
C33 C32 H32 121.1 . . ?
C32 C33 H33 118.6 . . ?
C32 C33 C34 122.7(17) . . ?
C32 C33 N34 122.7(17) . . ?
C34 C33 H33 118.6 . . ?
C29 C34 Pt1 114.0(13) . . ?
C29 C34 C33 119.1(16) . . ?
C33 C34 Pt1 126.8(13) . . ?
C29 N34 Pt1 114.0(13) . . ?
C29 N34 C33 119.1(16) . . ?
C33 N34 Pt1 126.8(13) . . ?
C24 C1A Pt1 126.4(12) . . ?
C24 C1A C28 118.3(15) . . ?
C28 C1A Pt1 115.3(12) . . ?

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
Hg1 C1 C2 F1 -3(3) . . . . ?
Hg1 C1 C2 C3 177.1(15) . . . . ?
Hg1 C1 C6 Hg2 -2(2) . . . . ?
Hg1 C1 C6 C5 -179.1(14) . . . . ?
Hg2 C7 C8 F5 0(3) . . . . ?
Hg2 C7 C8 C9 -178.2(17) . . . . ?
Hg2 C7 C12 Hg3 0(2) . . . . ?
Hg2 C7 C12 C11 -179.5(15) . . . . ?
Hg3 C13 C14 F9 -6(2) . . . . ?
Hg3 C13 C14 C15 175.2(14) . . . . ?
Hg3 C13 C18 Hg1 8(2) . . . . ?
Hg3 C13 C18 C17 -176.2(13) . . . . ?
Pt1 O1 C20 C19 -178.5(13) . . . . ?
Pt1 O1 C20 C21 2(3) . . . . ?
Pt1 O2 C22 C21 5(3) . . . . ?
Pt1 O2 C22 C23 178.2(10) . . . . ?
Pt1 N1 C24 C25 178.4(17) . . . . ?
Pt1 N1 C28 C27 -179.0(17) . . . . ?
Pt1 N1 C28 C29 4(2) . . . . ?
F1 C2 C3 F2 2(3) . . . . ?
F1 C2 C3 C4 -178.6(17) . . . . ?
F2 C3 C4 F3 0(3) . . . . ?
F2 C3 C4 C5 179.8(18) . . . . ?
F3 C4 C5 F4 0(3) . . . . ?
F3 C4 C5 C6 177.6(18) . . . . ?
F4 C5 C6 Hg2 3(3) . . . . ?
F4 C5 C6 C1 -179.7(16) . . . . ?
F5 C8 C9 F6 1(3) . . . . ?
F5 C8 C9 C10 180.0(18) . . . . ?
F6 C9 C10 F7 2(3) . . . . ?
F6 C9 C10 C11 178.1(19) . . . . ?
F7 C10 C11 F8 -3(3) . . . . ?
F7 C10 C11 C12 179(2) . . . . ?
F8 C11 C12 Hg3 0(3) . . . . ?
F8 C11 C12 C7 179.4(18) . . . . ?
F9 C14 C15 F10 -1(3) . . . . ?
F9 C14 C15 C16 -178.6(18) . . . . ?
F10 C15 C16 F11 3(3) . . . . ?
F10 C15 C16 C17 -179.7(17) . . . . ?
F11 C16 C17 F12 -2(3) . . . . ?
F11 C16 C17 C18 177.7(17) . . . . ?
F12 C17 C18 Hg1 -2(2) . . . . ?
F12 C17 C18 C13 -178.5(16) . . . . ?
O1 C20 C21 C22 -6(3) . . . . ?
N1 C24 C25 C26 3(4) . . . . ?
N1 C28 C29 C30 176.5(18) . . . . ?
N1 C28 C29 C34 -3(2) . . . . ?
C1 C2 C3 F2 -178.4(19) . . . . ?
C1 C2 C3 C4 1(3) . . . . ?
C2 C1 C6 Hg2 176.3(14) . . . . ?
C2 C1 C6 C5 -1(3) . . . . ?
C2 C3 C4 F3 -179.6(17) . . . . ?
C2 C3 C4 C5 0(3) . . . . ?
C3 C4 C5 F4 -179.8(17) . . . . ?
C3 C4 C5 C6 -2(3) . . . . ?
C4 C5 C6 Hg2 -174.8(16) . . . . ?
C4 C5 C6 C1 3(3) . . . . ?
C6 C1 C2 F1 179.1(16) . . . . ?
C6 C1 C2 C3 -1(3) . . . . ?
C7 C8 C9 F6 179(2) . . . . ?
C7 C8 C9 C10 -2(3) . . . . ?
C8 C7 C12 Hg3 179.3(14) . . . . ?
C8 C7 C12 C11 0(3) . . . . ?
C8 C9 C10 F7 -177(2) . . . . ?
C8 C9 C10 C11 -1(3) . . . . ?
C9 C10 C11 F8 -179.0(18) . . . . ?
C9 C10 C11 C12 3(3) . . . . ?
C10 C11 C12 Hg3 178.1(16) . . . . ?
C10 C11 C12 C7 -3(3) . . . . ?
C12 C7 C8 F5 -179.7(18) . . . . ?
C12 C7 C8 C9 2(3) . . . . ?
C13 C14 C15 F10 178.2(17) . . . . ?
C13 C14 C15 C16 1(3) . . . . ?
C14 C13 C18 Hg1 -179.5(13) . . . . ?
C14 C13 C18 C17 -3(3) . . . . ?
C14 C15 C16 F11 -178.9(16) . . . . ?
C14 C15 C16 C17 -2(3) . . . . ?
C15 C16 C17 F12 -178.9(18) . . . . ?
C15 C16 C17 C18 1(3) . . . . ?
C16 C17 C18 Hg1 178.2(15) . . . . ?
C16 C17 C18 C13 2(3) . . . . ?
C18 C13 C14 F9 -178.7(17) . . . . ?
C18 C13 C14 C15 2(3) . . . . ?
C19 C20 C21 C22 175(2) . . . . ?
C20 C21 C22 O2 2(4) . . . . ?
C20 C21 C22 C23 -171.1(17) . . . . ?
C24 N1 C28 C27 0(3) . . . . ?
C24 N1 C28 C29 -177.1(17) . . . . ?
C24 C25 C26 C27 -4(4) . . . . ?
C25 C24 C1A Pt1 178.4(17) . . . . ?
C25 C24 C1A C28 -1(3) . . . . ?
C25 C26 C27 C28 4(3) . . . . ?
C26 C27 C28 N1 -2(3) . . . . ?
C26 C27 C28 C29 175(2) . . . . ?
C26 C27 C28 C1A -2(3) . . . . ?
C27 C28 C29 C30 -1(3) . . . . ?
C27 C28 C29 C34 180(2) . . . . ?
C27 C28 C29 N34 180(2) . . . . ?
C27 C28 C1A Pt1 -179.0(17) . . . . ?
C27 C28 C1A C24 0(3) . . . . ?
C28 N1 C24 C25 -1(3) . . . . ?
C28 C29 C30 C31 -178.4(18) . . . . ?
C28 C29 C34 Pt1 1(2) . . . . ?
C28 C29 C34 C33 176.3(17) . . . . ?
C28 C29 N34 Pt1 1(2) . . . . ?
C28 C29 N34 C33 176.3(17) . . . . ?
C29 C28 C1A Pt1 4(2) . . . . ?
C29 C28 C1A C24 -177.1(17) . . . . ?
C29 C30 C31 C32 -1(3) . . . . ?
C30 C29 C34 Pt1 -178.7(14) . . . . ?
C30 C29 C34 C33 -3(3) . . . . ?
C30 C29 N34 Pt1 -178.7(14) . . . . ?
C30 C29 N34 C33 -3(3) . . . . ?
C30 C31 C32 C33 4(3) . . . . ?
C31 C32 C33 C34 -6(3) . . . . ?
C31 C32 C33 N34 -6(3) . . . . ?
C32 C33 C34 Pt1 -179.0(15) . . . . ?
C32 C33 C34 C29 6(3) . . . . ?
C32 C33 N34 Pt1 -179.0(15) . . . . ?
C32 C33 N34 C29 6(3) . . . . ?
C34 C29 C30 C31 1(3) . . . . ?
N34 C29 C30 C31 1(3) . . . . ?
C1A C24 C25 C26 3(4) . . . . ?
C1A C28 C29 C30 176.5(18) . . . . ?
C1A C28 C29 N34 -3(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.481 0.000 0.500 232.3 42.1 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_3Hg3
_database_code_depnum_ccdc_archive 'CCDC 2175143'
loop_
_audit_author_name
_audit_author_address
'Victor Khrustalev'
;Peoples Friendship University of Russia (RUDN University, Moscow)
Russia
;
_audit_update_record             
;
2022-05-26 deposited with the CCDC.	2022-11-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H27 F12 Hg3 N O2 Pt'
_chemical_formula_sum            'C40 H27 F12 Hg3 N O2 Pt'
_chemical_formula_weight         1578.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0018 '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 0.0074 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0129 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0199 0.0115 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -2.0791 9.0762 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.9722 9.9715 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   46.347(3)
_cell_length_b                   6.7991(4)
_cell_length_c                   25.3750(17)
_cell_angle_alpha                90
_cell_angle_beta                 101.498(6)
_cell_angle_gamma                90
_cell_volume                     7835.7(9)
_cell_formula_units_Z            8
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    1000
_cell_measurement_theta_min      1.7
_cell_measurement_theta_max      30.0

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.676
_exptl_crystal_F_000             5728
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    17.239
_shelx_estimated_absorpt_T_min   0.122
_shelx_estimated_absorpt_T_max   0.846
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.088
_exptl_absorpt_correction_T_max  0.819
_exptl_absorpt_process_details   'Scala (Evans, 2006)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.74500
_diffrn_radiation_type           synchrotron
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rayonix SX165 CCD'
_diffrn_measurement_method       '/f scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40041
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_limit_h_min       -64
_diffrn_reflns_limit_h_max       63
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         1.717
_diffrn_reflns_theta_max         31.007
_diffrn_reflns_theta_full        26.551
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measured_fraction_theta_full 0.974
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_Laue_measured_fraction_full 0.974
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_point_group_measured_fraction_full 0.974
_reflns_number_total             10454
_reflns_number_gt                9356
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_reduction        iMosflm
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2015)'
_computing_publication_material  SHELXTL

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0474P)²+40.9164P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.000337(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10454
_refine_ls_number_parameters     539
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0300
_refine_ls_wR_factor_ref         0.0806
_refine_ls_wR_factor_gt          0.0785
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.62908(2) 0.74150(3) 0.41111(2) 0.02083(6) Uani 1 1 d . . . . .
Hg2 Hg 0.65485(2) 0.77793(3) 0.28559(2) 0.02262(6) Uani 1 1 d . . . . .
Hg3 Hg 0.70547(2) 0.66050(3) 0.40845(2) 0.02203(6) Uani 1 1 d . . . . .
Pt1 Pt 0.60558(2) 0.30610(3) 0.38658(2) 0.01874(6) Uani 1 1 d . . . . .
F1 F 0.56277(7) 0.8675(6) 0.38627(14) 0.0318(7) Uani 1 1 d . . . . .
F2 F 0.52500(7) 0.9692(6) 0.29544(16) 0.0421(9) Uani 1 1 d . . . . .
F3 F 0.54347(8) 0.9787(7) 0.19973(15) 0.0437(9) Uani 1 1 d . . . . .
F4 F 0.60000(8) 0.8968(6) 0.19635(13) 0.0362(8) Uani 1 1 d . . . . .
F5 F 0.69116(8) 0.7705(6) 0.19248(13) 0.0330(7) Uani 1 1 d . . . . .
F6 F 0.74989(8) 0.7328(6) 0.19415(14) 0.0345(8) Uani 1 1 d . . . . .
F7 F 0.78809(7) 0.6686(6) 0.28772(15) 0.0340(8) Uani 1 1 d . . . . .
F8 F 0.76789(7) 0.6137(6) 0.37960(13) 0.0324(7) Uani 1 1 d . . . . .
F9 F 0.73712(7) 0.5472(6) 0.52587(13) 0.0315(7) Uani 1 1 d . . . . .
F10 F 0.71752(7) 0.4939(6) 0.61759(13) 0.0337(7) Uani 1 1 d . . . . .
F11 F 0.66020(8) 0.5654(6) 0.62117(12) 0.0337(8) Uani 1 1 d . . . . .
F12 F 0.62192(7) 0.6707(5) 0.53058(14) 0.0293(7) Uani 1 1 d . . . . .
O1 O 0.60562(8) 0.2527(6) 0.46418(14) 0.0229(7) Uani 1 1 d . . . . .
O2 O 0.56110(7) 0.3746(6) 0.37039(14) 0.0235(7) Uani 1 1 d . . . . .
N1 N 0.60881(9) 0.3385(6) 0.30959(16) 0.0200(8) Uani 1 1 d . . . . .
C1 C 0.60158(11) 0.8258(8) 0.3395(2) 0.0235(10) Uani 1 1 d . . . . .
C2 C 0.57299(11) 0.8698(8) 0.3393(2) 0.0246(10) Uani 1 1 d . . . . .
C3 C 0.55295(11) 0.9220(9) 0.2935(2) 0.0298(11) Uani 1 1 d . . . . .
C4 C 0.56243(13) 0.9309(9) 0.2448(2) 0.0304(11) Uani 1 1 d . . . . .
C5 C 0.59144(13) 0.8865(9) 0.2449(2) 0.0273(10) Uani 1 1 d . . . . .
C6 C 0.61151(10) 0.8342(8) 0.2904(2) 0.0228(9) Uani 1 1 d . . . . .
C7 C 0.69897(11) 0.7246(8) 0.2869(2) 0.0240(10) Uani 1 1 d . . . . .
C8 C 0.70972(12) 0.7370(8) 0.2397(2) 0.0258(10) Uani 1 1 d . . . . .
C9 C 0.73949(13) 0.7158(8) 0.2400(2) 0.0274(11) Uani 1 1 d . . . . .
C10 C 0.75904(13) 0.6822(9) 0.2878(2) 0.0284(11) Uani 1 1 d . . . . .
C11 C 0.74824(12) 0.6603(8) 0.3345(2) 0.0266(10) Uani 1 1 d . . . . .
C12 C 0.71892(12) 0.6848(8) 0.3356(2) 0.0251(10) Uani 1 1 d . . . . .
C13 C 0.68945(12) 0.6385(8) 0.4785(2) 0.0250(10) Uani 1 1 d . . . . .
C14 C 0.70821(11) 0.5802(8) 0.5251(2) 0.0248(10) Uani 1 1 d . . . . .
C15 C 0.69869(12) 0.5507(8) 0.57310(19) 0.0246(10) Uani 1 1 d . . . . .
C16 C 0.66958(12) 0.5869(8) 0.57450(19) 0.0254(10) Uani 1 1 d . . . . .
C17 C 0.65063(11) 0.6438(8) 0.5279(2) 0.0252(10) Uani 1 1 d . . . . .
C18 C 0.65951(11) 0.6711(8) 0.48013(19) 0.0230(10) Uani 1 1 d . . . . .
C19 C 0.58269(11) 0.2640(8) 0.48544(19) 0.0226(10) Uani 1 1 d . . . . .
C20 C 0.55451(12) 0.3232(9) 0.4598(2) 0.0274(11) Uani 1 1 d . . . . .
H20 H 0.5402 0.3319 0.4818 0.033 Uiso 1 1 calc R U . . .
C21 C 0.54477(11) 0.3712(8) 0.4056(2) 0.0233(10) Uani 1 1 d . . . . .
C22 C 0.58755(11) 0.1968(9) 0.5439(2) 0.0249(10) Uani 1 1 d . . . . .
C23 C 0.57827(13) 0.3636(10) 0.5790(2) 0.0311(12) Uani 1 1 d . . . . .
H23A H 0.5576 0.3978 0.5653 0.047 Uiso 1 1 calc R U . . .
H23B H 0.5906 0.4796 0.5774 0.047 Uiso 1 1 calc R U . . .
H23C H 0.5807 0.3187 0.6163 0.047 Uiso 1 1 calc R U . . .
C24 C 0.61998(12) 0.1455(9) 0.5660(2) 0.0291(11) Uani 1 1 d . . . . .
H24A H 0.6261 0.0391 0.5445 0.044 Uiso 1 1 calc R U . . .
H24B H 0.6223 0.1031 0.6035 0.044 Uiso 1 1 calc R U . . .
H24C H 0.6322 0.2617 0.5640 0.044 Uiso 1 1 calc R U . . .
C25 C 0.56859(13) 0.0145(9) 0.5480(2) 0.0328(12) Uani 1 1 d . . . . .
H25A H 0.5737 -0.0898 0.5248 0.049 Uiso 1 1 calc R U . . .
H25B H 0.5477 0.0485 0.5365 0.049 Uiso 1 1 calc R U . . .
H25C H 0.5722 -0.0316 0.5853 0.049 Uiso 1 1 calc R U . . .
C26 C 0.51261(11) 0.4311(9) 0.3861(2) 0.0268(11) Uani 1 1 d . . . . .
C27 C 0.50585(13) 0.4668(11) 0.3251(2) 0.0360(14) Uani 1 1 d . . . . .
H27A H 0.5106 0.3483 0.3066 0.054 Uiso 1 1 calc R U . . .
H27B H 0.5177 0.5772 0.3166 0.054 Uiso 1 1 calc R U . . .
H27C H 0.4849 0.4977 0.3133 0.054 Uiso 1 1 calc R U . . .
C28 C 0.49290(13) 0.2623(10) 0.3991(3) 0.0339(13) Uani 1 1 d . . . . .
H28A H 0.4980 0.1403 0.3826 0.051 Uiso 1 1 calc R U . . .
H28B H 0.4722 0.2943 0.3848 0.051 Uiso 1 1 calc R U . . .
H28C H 0.4959 0.2451 0.4382 0.051 Uiso 1 1 calc R U . . .
C29 C 0.50625(13) 0.6212(10) 0.4154(3) 0.0363(13) Uani 1 1 d . . . . .
H29A H 0.5185 0.7284 0.4063 0.054 Uiso 1 1 calc R U . . .
H29B H 0.5108 0.5991 0.4543 0.054 Uiso 1 1 calc R U . . .
H29C H 0.4854 0.6564 0.4041 0.054 Uiso 1 1 calc R U . . .
C30 C 0.58593(11) 0.3822(8) 0.2700(2) 0.0233(9) Uani 1 1 d . . . . .
H30 H 0.5672 0.4055 0.2786 0.028 Uiso 1 1 calc R U . . .
C31 C 0.58900(12) 0.3942(9) 0.2170(2) 0.0264(10) Uani 1 1 d . . . . .
H31 H 0.5725 0.4253 0.1895 0.032 Uiso 1 1 calc R U . . .
C32 C 0.61645(13) 0.3603(9) 0.2044(2) 0.0279(11) Uani 1 1 d . . . . .
H32 H 0.6190 0.3675 0.1682 0.033 Uiso 1 1 calc R U . . .
C33 C 0.63987(12) 0.3159(9) 0.2455(2) 0.0270(11) Uani 1 1 d . . . . .
H33 H 0.6588 0.2938 0.2376 0.032 Uiso 1 1 calc R U . . .
C34 C 0.63608(11) 0.3032(7) 0.2981(2) 0.0206(9) Uani 1 1 d . . . . .
C35 C 0.65841(11) 0.2514(8) 0.3457(2) 0.0224(9) Uani 1 1 d . . . . .
C36 C 0.68761(11) 0.2116(8) 0.3443(2) 0.0225(9) Uani 1 1 d . . . . .
H36 H 0.6943 0.2193 0.3113 0.027 Uiso 1 1 calc R U . . .
C37 C 0.70705(11) 0.1601(9) 0.3916(2) 0.0279(11) Uani 1 1 d . . . . .
H37 H 0.7271 0.1342 0.3910 0.033 Uiso 1 1 calc R U . . .
C38 C 0.69701(11) 0.1463(8) 0.4402(2) 0.0235(9) Uani 1 1 d . . . . .
H38 H 0.7102 0.1104 0.4723 0.028 Uiso 1 1 calc R U . . .
C39 C 0.66737(11) 0.1858(8) 0.4409(2) 0.0231(9) Uani 1 1 d . . . . .
H39 H 0.6606 0.1744 0.4738 0.028 Uiso 1 1 calc R U . . .
C40 C 0.64784(10) 0.2411(7) 0.3945(2) 0.0199(9) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Hg1 C18 2.074(5) . ?
Hg1 C1 2.081(5) . ?
Hg1 Pt1 3.1730(3) . ?
Hg2 C7 2.071(5) . ?
Hg2 C6 2.072(5) . ?
Hg3 C13 2.065(5) . ?
Hg3 C12 2.071(5) . ?
Pt1 C40 1.979(5) . ?
Pt1 N1 2.001(4) . ?
Pt1 O1 2.002(4) . ?
Pt1 O2 2.073(3) . ?
F1 C2 1.368(6) . ?
F2 C3 1.345(6) . ?
F3 C4 1.337(6) . ?
F4 C5 1.370(6) . ?
F5 C8 1.349(6) . ?
F6 C9 1.350(6) . ?
F7 C10 1.350(6) . ?
F8 C11 1.351(6) . ?
F9 C14 1.355(6) . ?
F10 C15 1.339(6) . ?
F11 C16 1.348(5) . ?
F12 C17 1.359(6) . ?
O1 C19 1.286(6) . ?
O2 C21 1.281(6) . ?
N1 C30 1.341(6) . ?
N1 C34 1.373(6) . ?
C1 C2 1.357(7) . ?
C1 C6 1.412(7) . ?
C2 C3 1.382(7) . ?
C3 C4 1.392(8) . ?
C4 C5 1.378(8) . ?
C5 C6 1.378(7) . ?
C7 C8 1.388(7) . ?
C7 C12 1.413(8) . ?
C8 C9 1.386(8) . ?
C9 C10 1.380(8) . ?
C10 C11 1.383(7) . ?
C11 C12 1.375(7) . ?
C13 C14 1.378(7) . ?
C13 C18 1.414(7) . ?
C14 C15 1.391(7) . ?
C15 C16 1.379(7) . ?
C16 C17 1.381(7) . ?
C17 C18 1.367(7) . ?
C19 C20 1.398(7) . ?
C19 C22 1.525(7) . ?
C20 C21 1.397(7) . ?
C20 H20 0.9500 . ?
C21 C26 1.529(7) . ?
C22 C25 1.535(8) . ?
C22 C24 1.536(8) . ?
C22 C23 1.554(8) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.536(7) . ?
C26 C28 1.543(8) . ?
C26 C29 1.548(9) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.382(7) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.381(8) . ?
C32 H32 0.9500 . ?
C33 C34 1.383(7) . ?
C33 H33 0.9500 . ?
C34 C35 1.468(7) . ?
C35 C36 1.388(7) . ?
C35 C40 1.421(7) . ?
C36 C37 1.396(8) . ?
C36 H36 0.9500 . ?
C37 C38 1.403(7) . ?
C37 H37 0.9500 . ?
C38 C39 1.404(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.387(7) . ?
C39 H39 0.9500 . ?

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
C18 Hg1 C1 174.8(2) . . ?
C18 Hg1 Pt1 95.71(16) . . ?
C1 Hg1 Pt1 87.65(15) . . ?
C7 Hg2 C6 175.7(2) . . ?
C13 Hg3 C12 176.5(2) . . ?
C40 Pt1 N1 81.89(19) . . ?
C40 Pt1 O1 93.00(18) . . ?
N1 Pt1 O1 174.08(17) . . ?
C40 Pt1 O2 174.53(17) . . ?
N1 Pt1 O2 92.68(15) . . ?
O1 Pt1 O2 92.39(14) . . ?
C40 Pt1 Hg1 83.93(15) . . ?
N1 Pt1 Hg1 89.96(13) . . ?
O1 Pt1 Hg1 92.47(11) . . ?
O2 Pt1 Hg1 96.79(11) . . ?
C19 O1 Pt1 124.2(3) . . ?
C21 O2 Pt1 124.1(3) . . ?
C30 N1 C34 120.3(4) . . ?
C30 N1 Pt1 123.6(3) . . ?
C34 N1 Pt1 116.0(3) . . ?
C2 C1 C6 118.5(5) . . ?
C2 C1 Hg1 119.5(4) . . ?
C6 C1 Hg1 122.0(4) . . ?
C1 C2 F1 120.1(5) . . ?
C1 C2 C3 123.5(5) . . ?
F1 C2 C3 116.4(5) . . ?
F2 C3 C2 121.4(5) . . ?
F2 C3 C4 119.9(5) . . ?
C2 C3 C4 118.6(5) . . ?
F3 C4 C5 122.0(5) . . ?
F3 C4 C3 120.0(5) . . ?
C5 C4 C3 118.0(5) . . ?
F4 C5 C4 116.4(5) . . ?
F4 C5 C6 120.0(5) . . ?
C4 C5 C6 123.6(5) . . ?
C5 C6 C1 117.7(5) . . ?
C5 C6 Hg2 119.9(4) . . ?
C1 C6 Hg2 122.4(4) . . ?
C8 C7 C12 118.7(5) . . ?
C8 C7 Hg2 119.9(4) . . ?
C12 C7 Hg2 121.3(4) . . ?
F5 C8 C9 118.6(5) . . ?
F5 C8 C7 120.2(5) . . ?
C9 C8 C7 121.2(5) . . ?
F6 C9 C10 119.1(5) . . ?
F6 C9 C8 120.9(5) . . ?
C10 C9 C8 120.0(5) . . ?
F7 C10 C9 119.4(5) . . ?
F7 C10 C11 121.7(5) . . ?
C9 C10 C11 118.9(5) . . ?
F8 C11 C12 120.8(5) . . ?
F8 C11 C10 117.0(5) . . ?
C12 C11 C10 122.2(5) . . ?
C11 C12 C7 118.8(5) . . ?
C11 C12 Hg3 118.9(4) . . ?
C7 C12 Hg3 122.3(4) . . ?
C14 C13 C18 118.4(4) . . ?
C14 C13 Hg3 119.0(4) . . ?
C18 C13 Hg3 122.5(4) . . ?
F9 C14 C13 120.9(4) . . ?
F9 C14 C15 116.7(5) . . ?
C13 C14 C15 122.4(5) . . ?
F10 C15 C16 120.4(4) . . ?
F10 C15 C14 120.9(5) . . ?
C16 C15 C14 118.7(5) . . ?
F11 C16 C15 119.5(5) . . ?
F11 C16 C17 121.5(5) . . ?
C15 C16 C17 119.1(4) . . ?
F12 C17 C18 119.8(5) . . ?
F12 C17 C16 117.2(4) . . ?
C18 C17 C16 123.0(5) . . ?
C17 C18 C13 118.3(5) . . ?
C17 C18 Hg1 120.4(4) . . ?
C13 C18 Hg1 121.2(4) . . ?
O1 C19 C20 126.5(5) . . ?
O1 C19 C22 114.6(4) . . ?
C20 C19 C22 118.9(4) . . ?
C21 C20 C19 127.9(5) . . ?
C21 C20 H20 116.0 . . ?
C19 C20 H20 116.0 . . ?
O2 C21 C20 124.8(5) . . ?
O2 C21 C26 116.3(4) . . ?
C20 C21 C26 118.9(4) . . ?
C19 C22 C25 109.4(4) . . ?
C19 C22 C24 111.5(4) . . ?
C25 C22 C24 108.9(5) . . ?
C19 C22 C23 109.5(5) . . ?
C25 C22 C23 108.8(4) . . ?
C24 C22 C23 108.6(4) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 C27 111.0(4) . . ?
C21 C26 C28 108.3(5) . . ?
C27 C26 C28 108.8(5) . . ?
C21 C26 C29 109.5(5) . . ?
C27 C26 C29 109.4(5) . . ?
C28 C26 C29 109.9(4) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N1 C30 C31 121.5(5) . . ?
N1 C30 H30 119.3 . . ?
C31 C30 H30 119.3 . . ?
C30 C31 C32 119.4(5) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
C33 C32 C31 118.6(5) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C32 C33 C34 120.8(5) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
N1 C34 C33 119.5(5) . . ?
N1 C34 C35 113.3(4) . . ?
C33 C34 C35 127.2(5) . . ?
C36 C35 C40 121.4(5) . . ?
C36 C35 C34 123.8(5) . . ?
C40 C35 C34 114.8(4) . . ?
C35 C36 C37 119.4(5) . . ?
C35 C36 H36 120.3 . . ?
C37 C36 H36 120.3 . . ?
C36 C37 C38 120.2(5) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
C37 C38 C39 119.8(5) . . ?
C37 C38 H38 120.1 . . ?
C39 C38 H38 120.1 . . ?
C40 C39 C38 121.0(5) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C35 118.2(4) . . ?
C39 C40 Pt1 127.8(4) . . ?
C35 C40 Pt1 114.0(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
C6 C1 C2 F1 -178.5(5) . . . . ?
Hg1 C1 C2 F1 3.0(7) . . . . ?
C6 C1 C2 C3 0.2(9) . . . . ?
Hg1 C1 C2 C3 -178.2(4) . . . . ?
C1 C2 C3 F2 -178.3(5) . . . . ?
F1 C2 C3 F2 0.5(8) . . . . ?
C1 C2 C3 C4 -0.2(9) . . . . ?
F1 C2 C3 C4 178.6(5) . . . . ?
F2 C3 C4 F3 -2.7(9) . . . . ?
C2 C3 C4 F3 179.2(5) . . . . ?
F2 C3 C4 C5 178.2(5) . . . . ?
C2 C3 C4 C5 0.1(9) . . . . ?
F3 C4 C5 F4 0.9(8) . . . . ?
C3 C4 C5 F4 180.0(5) . . . . ?
F3 C4 C5 C6 -179.1(5) . . . . ?
C3 C4 C5 C6 -0.1(9) . . . . ?
F4 C5 C6 C1 180.0(5) . . . . ?
C4 C5 C6 C1 0.1(9) . . . . ?
F4 C5 C6 Hg2 1.5(7) . . . . ?
C4 C5 C6 Hg2 -178.4(4) . . . . ?
C2 C1 C6 C5 -0.1(8) . . . . ?
Hg1 C1 C6 C5 178.3(4) . . . . ?
C2 C1 C6 Hg2 178.3(4) . . . . ?
Hg1 C1 C6 Hg2 -3.3(6) . . . . ?
C12 C7 C8 F5 178.6(5) . . . . ?
Hg2 C7 C8 F5 -4.5(7) . . . . ?
C12 C7 C8 C9 -1.6(8) . . . . ?
Hg2 C7 C8 C9 175.4(4) . . . . ?
F5 C8 C9 F6 1.5(8) . . . . ?
C7 C8 C9 F6 -178.4(5) . . . . ?
F5 C8 C9 C10 179.7(5) . . . . ?
C7 C8 C9 C10 -0.1(8) . . . . ?
F6 C9 C10 F7 0.5(8) . . . . ?
C8 C9 C10 F7 -177.7(5) . . . . ?
F6 C9 C10 C11 -178.5(5) . . . . ?
C8 C9 C10 C11 3.2(8) . . . . ?
F7 C10 C11 F8 -3.6(8) . . . . ?
C9 C10 C11 F8 175.4(5) . . . . ?
F7 C10 C11 C12 176.2(5) . . . . ?
C9 C10 C11 C12 -4.8(9) . . . . ?
F8 C11 C12 C7 -177.1(5) . . . . ?
C10 C11 C12 C7 3.1(9) . . . . ?
F8 C11 C12 Hg3 2.5(7) . . . . ?
C10 C11 C12 Hg3 -177.3(4) . . . . ?
C8 C7 C12 C11 0.1(8) . . . . ?
Hg2 C7 C12 C11 -176.8(4) . . . . ?
C8 C7 C12 Hg3 -179.5(4) . . . . ?
Hg2 C7 C12 Hg3 3.6(7) . . . . ?
C18 C13 C14 F9 -179.9(5) . . . . ?
Hg3 C13 C14 F9 3.4(7) . . . . ?
C18 C13 C14 C15 0.6(9) . . . . ?
Hg3 C13 C14 C15 -176.1(4) . . . . ?
F9 C14 C15 F10 0.4(8) . . . . ?
C13 C14 C15 F10 180.0(5) . . . . ?
F9 C14 C15 C16 178.5(5) . . . . ?
C13 C14 C15 C16 -1.9(9) . . . . ?
F10 C15 C16 F11 0.3(8) . . . . ?
C14 C15 C16 F11 -177.8(5) . . . . ?
F10 C15 C16 C17 -179.5(5) . . . . ?
C14 C15 C16 C17 2.4(8) . . . . ?
F11 C16 C17 F12 -2.2(8) . . . . ?
C15 C16 C17 F12 177.6(5) . . . . ?
F11 C16 C17 C18 178.6(5) . . . . ?
C15 C16 C17 C18 -1.6(9) . . . . ?
F12 C17 C18 C13 -178.9(5) . . . . ?
C16 C17 C18 C13 0.3(9) . . . . ?
F12 C17 C18 Hg1 -2.7(7) . . . . ?
C16 C17 C18 Hg1 176.5(4) . . . . ?
C14 C13 C18 C17 0.2(8) . . . . ?
Hg3 C13 C18 C17 176.9(4) . . . . ?
C14 C13 C18 Hg1 -176.0(4) . . . . ?
Hg3 C13 C18 Hg1 0.6(7) . . . . ?
Pt1 O1 C19 C20 -3.3(8) . . . . ?
Pt1 O1 C19 C22 174.2(3) . . . . ?
O1 C19 C20 C21 4.1(10) . . . . ?
C22 C19 C20 C21 -173.3(6) . . . . ?
Pt1 O2 C21 C20 0.7(8) . . . . ?
Pt1 O2 C21 C26 178.7(4) . . . . ?
C19 C20 C21 O2 -2.6(10) . . . . ?
C19 C20 C21 C26 179.5(6) . . . . ?
O1 C19 C22 C25 -115.9(5) . . . . ?
C20 C19 C22 C25 61.8(7) . . . . ?
O1 C19 C22 C24 4.7(7) . . . . ?
C20 C19 C22 C24 -177.7(5) . . . . ?
O1 C19 C22 C23 124.9(5) . . . . ?
C20 C19 C22 C23 -57.4(6) . . . . ?
O2 C21 C26 C27 5.1(7) . . . . ?
C20 C21 C26 C27 -176.9(6) . . . . ?
O2 C21 C26 C28 124.4(5) . . . . ?
C20 C21 C26 C28 -57.5(7) . . . . ?
O2 C21 C26 C29 -115.7(5) . . . . ?
C20 C21 C26 C29 62.3(7) . . . . ?
C34 N1 C30 C31 -0.4(8) . . . . ?
Pt1 N1 C30 C31 -177.0(4) . . . . ?
N1 C30 C31 C32 0.0(9) . . . . ?
C30 C31 C32 C33 -0.1(9) . . . . ?
C31 C32 C33 C34 0.7(9) . . . . ?
C30 N1 C34 C33 0.9(8) . . . . ?
Pt1 N1 C34 C33 177.8(4) . . . . ?
C30 N1 C34 C35 -178.2(5) . . . . ?
Pt1 N1 C34 C35 -1.3(6) . . . . ?
C32 C33 C34 N1 -1.1(8) . . . . ?
C32 C33 C34 C35 177.8(5) . . . . ?
N1 C34 C35 C36 -179.3(5) . . . . ?
C33 C34 C35 C36 1.7(9) . . . . ?
N1 C34 C35 C40 1.8(7) . . . . ?
C33 C34 C35 C40 -177.2(5) . . . . ?
C40 C35 C36 C37 0.1(8) . . . . ?
C34 C35 C36 C37 -178.8(5) . . . . ?
C35 C36 C37 C38 0.8(8) . . . . ?
C36 C37 C38 C39 -0.4(8) . . . . ?
C37 C38 C39 C40 -0.9(8) . . . . ?
C38 C39 C40 C35 1.8(8) . . . . ?
C38 C39 C40 Pt1 -179.3(4) . . . . ?
C36 C35 C40 C39 -1.4(8) . . . . ?
C34 C35 C40 C39 177.6(5) . . . . ?
C36 C35 C40 Pt1 179.5(4) . . . . ?
C34 C35 C40 Pt1 -1.5(6) . . . . ?

_refine_diff_density_max         1.638
_refine_diff_density_min         -1.950
_refine_diff_density_rms         0.221

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_4Hg3
_database_code_depnum_ccdc_archive 'CCDC 2175144'
loop_
_audit_author_name
_audit_author_address
'Victor Khrustalev'
;Peoples Friendship University of Russia (RUDN University, Moscow)
Russia
;
_audit_update_record             
;
2022-05-26 deposited with the CCDC.	2022-11-18 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H13 F14 Hg3 N O2 Pt, C3 H6 O'
_chemical_formula_sum            'C37 H19 F14 Hg3 N O3 Pt'
_chemical_formula_weight         1588.38

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0018 '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 0.0074 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0129 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0199 0.0115 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -2.0791 9.0762 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.9722 9.9715 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.566(5)
_cell_length_b                   6.6889(13)
_cell_length_c                   22.906(4)
_cell_angle_alpha                90
_cell_angle_beta                 104.207(11)
_cell_angle_gamma                90
_cell_volume                     3648.8(12)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    600
_cell_measurement_theta_min      2.0
_cell_measurement_theta_max      26.0

_exptl_crystal_description       needle
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.891
_exptl_crystal_F_000             2864
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_absorpt_coefficient_mu    18.522
_shelx_estimated_absorpt_T_min   0.119
_shelx_estimated_absorpt_T_max   0.836
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.101
_exptl_absorpt_correction_T_max  0.818
_exptl_absorpt_process_details   'Scala (Evans, 2006)'

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.74500
_diffrn_radiation_type           synchrotron
_diffrn_source                   ?
_diffrn_measurement_device_type  'Rayonix SX165 CCD'
_diffrn_measurement_method       '/f scan'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            55580
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_av_R_equivalents  0.0520
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         1.912
_diffrn_reflns_theta_max         31.007
_diffrn_reflns_theta_full        26.551
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             10031
_reflns_number_gt                9103
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_reduction        iMosflm
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2015)'
_computing_publication_material  SHELXTL

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0516P)²+70.77P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00192(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         10031
_refine_ls_number_parameters     527
_refine_ls_number_restraints     62
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0529
_refine_ls_wR_factor_ref         0.1308
_refine_ls_wR_factor_gt          0.1277
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_restrained_S_all      1.104
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.84399(2) 0.47070(5) 0.27672(2) 0.03018(10) Uani 1 1 d . . . . .
Hg2 Hg 0.71152(2) 0.34346(5) 0.17389(2) 0.03171(11) Uani 1 1 d . . . . .
Hg3 Hg 0.72444(2) 0.36402(5) 0.33354(2) 0.03510(11) Uani 1 1 d . . . . .
Pt1 Pt 0.80242(2) 0.93292(5) 0.26851(2) 0.03538(11) Uani 1 1 d . . . . .
F1 F 0.9446(3) 0.5760(10) 0.3891(3) 0.0470(15) Uani 1 1 d . . . . .
F2 F 0.9507(3) 0.6074(13) 0.5079(3) 0.0588(19) Uani 1 1 d . . . . .
F3 F 0.8579(4) 0.5288(12) 0.5505(3) 0.060(2) Uani 1 1 d . . . . .
F4 F 0.7605(4) 0.4226(11) 0.4746(3) 0.0551(18) Uani 1 1 d . . . . .
F5 F 0.6052(3) 0.2786(12) 0.3535(4) 0.0575(19) Uani 1 1 d . . . . .
F6 F 0.5050(4) 0.1956(16) 0.2782(5) 0.080(3) Uani 1 1 d . . . . .
F7 F 0.4939(3) 0.1781(16) 0.1584(5) 0.074(3) Uani 1 1 d . . . . .
F8 F 0.5835(3) 0.2462(12) 0.1126(4) 0.0549(17) Uani 1 1 d . . . . .
F9 F 0.7290(3) 0.3796(11) 0.0430(3) 0.0457(15) Uani 1 1 d . . . . .
F10 F 0.8195(3) 0.4789(11) 0.0006(3) 0.0485(16) Uani 1 1 d . . . . .
F11 F 0.9192(3) 0.5642(11) 0.0784(3) 0.0492(16) Uani 1 1 d . . . . .
F12 F 0.9289(3) 0.5604(10) 0.1977(3) 0.0414(14) Uani 1 1 d . . . . .
F13 F 0.59457(18) 0.7404(3) 0.1728(4) 0.0586(19) Uani 0.6 1 d D . P A 1
F14 F 0.7056(3) 0.8321(7) 0.0329(2) 0.0586(19) Uani 0.6 1 d D . P B 1
F13' F 0.5947(2) 0.7472(3) 0.2531(4) 0.0586(19) Uani 0.4 1 d D . P C 2
F14' F 0.7021(4) 0.8639(9) 0.4522(2) 0.0586(19) Uani 0.4 1 d D . P D 2
O1 O 0.8607(3) 0.9742(11) 0.2219(4) 0.0431(18) Uani 1 1 d . . . . .
O2 O 0.8589(3) 0.9828(10) 0.3480(4) 0.0373(16) Uani 1 1 d . . . . .
N1 N 0.74014(19) 0.8874(7) 0.3098(3) 0.039(2) Uani 0.6 1 d D . P E 1
C34' C 0.7426(3) 0.873(4) 0.3097(3) 0.039(2) Uani 0.4 1 d D . P E 2
C1 C 0.8487(4) 0.4816(14) 0.3678(4) 0.0319(19) Uani 1 1 d . . . . .
C2 C 0.8970(5) 0.5378(16) 0.4078(5) 0.041(2) Uani 1 1 d . . . . .
C3 C 0.9027(6) 0.5539(17) 0.4695(5) 0.047(3) Uani 1 1 d . . . . .
C4 C 0.8556(6) 0.5149(17) 0.4916(4) 0.045(3) Uani 1 1 d . . . . .
C5 C 0.8058(5) 0.4582(16) 0.4510(5) 0.042(2) Uani 1 1 d . . . . .
C6 C 0.8009(5) 0.4417(15) 0.3902(4) 0.035(2) Uani 1 1 d . . . . .
C7 C 0.6498(4) 0.3023(14) 0.2715(5) 0.035(2) Uani 1 1 d . . . . .
C8 C 0.6018(5) 0.2693(16) 0.2941(6) 0.046(3) Uani 1 1 d . . . . .
C9 C 0.5501(5) 0.229(2) 0.2567(7) 0.054(3) Uani 1 1 d . . . . .
C10 C 0.5444(5) 0.219(2) 0.1952(8) 0.057(3) Uani 1 1 d . . . . .
C11 C 0.5903(5) 0.2518(17) 0.1726(6) 0.042(2) Uani 1 1 d . . . . .
C12 C 0.6436(4) 0.2933(14) 0.2096(5) 0.036(2) Uani 1 1 d . . . . .
C13 C 0.7824(4) 0.4103(14) 0.1445(4) 0.0302(18) Uani 1 1 d . . . . .
C14 C 0.7796(4) 0.4180(15) 0.0834(4) 0.0333(19) Uani 1 1 d . . . . .
C15 C 0.8246(4) 0.4704(16) 0.0610(4) 0.036(2) Uani 1 1 d . . . . .
C16 C 0.8748(5) 0.5165(16) 0.0996(5) 0.039(2) Uani 1 1 d . . . . .
C17 C 0.8785(4) 0.5098(15) 0.1600(5) 0.036(2) Uani 1 1 d . . . . .
C18 C 0.8347(4) 0.4601(13) 0.1848(4) 0.0301(18) Uani 1 1 d . . . . .
C19 C 0.9118(5) 1.0283(15) 0.2448(5) 0.039(2) Uani 1 1 d . . . . .
C20 C 0.9357(4) 1.0627(15) 0.3058(5) 0.039(2) Uani 1 1 d . . . . .
H20 H 0.9732 1.1111 0.3161 0.047 Uiso 1 1 calc R U . . .
C21 C 0.9106(4) 1.0340(14) 0.3527(5) 0.038(2) Uani 1 1 d . . . . .
C22 C 0.9477(5) 1.0529(19) 0.2013(5) 0.047(3) Uani 1 1 d . . . . .
H22A H 0.9254 1.0236 0.1605 0.071 Uiso 1 1 calc R U . . .
H22B H 0.9795 0.9605 0.2118 0.071 Uiso 1 1 calc R U . . .
H22C H 0.9616 1.1906 0.2031 0.071 Uiso 1 1 calc R U . . .
C23 C 0.9440(4) 1.0607(15) 0.4165(5) 0.039(2) Uani 1 1 d . . . . .
H23A H 0.9199 1.0347 0.4441 0.059 Uiso 1 1 calc R U . . .
H23B H 0.9582 1.1980 0.4222 0.059 Uiso 1 1 calc R U . . .
H23C H 0.9756 0.9669 0.4250 0.059 Uiso 1 1 calc R U . . .
C24 C 0.7445(2) 0.8965(7) 0.3704(2) 0.039(2) Uani 1 1 d D . . . .
H24 H 0.7792 0.9312 0.3972 0.047 Uiso 1 1 calc R U . E 1
C25 C 0.6979(3) 0.8550(7) 0.3929(2) 0.078(4) Uani 1 1 d D . . . .
H25 H 0.7010 0.8615 0.4350 0.094 Uiso 0.6 1 calc R U P D 1
C26 C 0.6466(2) 0.8040(5) 0.3537(3) 0.075(5) Uani 1 1 d D . . . .
H26 H 0.6147 0.7755 0.3688 0.090 Uiso 1 1 calc R U . . .
C27 C 0.64319(18) 0.7956(3) 0.2920(3) 0.078(4) Uani 1 1 d D . . . .
H27 H 0.6088 0.7612 0.2646 0.094 Uiso 0.6 1 calc R U P C 1
C28 C 0.6904(2) 0.8378(4) 0.2709(2) 0.059(4) Uani 1 1 d D . . . .
C29 C 0.69011(19) 0.8323(4) 0.2077(2) 0.054(4) Uani 1 1 d D . . . .
C30 C 0.64412(18) 0.7855(3) 0.1610(3) 0.058(4) Uani 1 1 d D . . . .
H30 H 0.6092 0.7537 0.1694 0.069 Uiso 0.4 1 calc R U P A 2
C31 C 0.6491(2) 0.7853(4) 0.1017(2) 0.085(6) Uani 1 1 d D . . . .
H31 H 0.6178 0.7534 0.0695 0.102 Uiso 1 1 calc R U . . .
C32 C 0.7008(2) 0.8325(5) 0.0900(2) 0.073(5) Uani 1 1 d D . . . .
H32 H 0.7045 0.8325 0.0497 0.088 Uiso 0.4 1 calc R U P B 2
C33 C 0.7470(2) 0.8794(6) 0.1367(2) 0.051(3) Uani 1 1 d D . . . .
H33 H 0.7820 0.9112 0.1282 0.061 Uiso 1 1 calc R U . E 1
C34 C 0.74185(19) 0.8795(6) 0.1962(2) 0.037(2) Uani 0.6 1 d D . P E 1
N1' N 0.7397(3) 0.868(3) 0.1934(3) 0.037(2) Uani 0.4 1 d D . P E 2
O3 O 0.5926(12) 0.982(4) 0.4750(10) 0.091(4) Uani 0.5 1 d D . P F 1
C35 C 0.5731(10) 1.147(4) 0.4668(6) 0.091(4) Uani 0.5 1 d D . P F 1
C36 C 0.5113(10) 1.155(7) 0.4385(13) 0.091(4) Uani 0.5 1 d D . P F 1
H36A H 0.4966 1.0187 0.4311 0.137 Uiso 0.5 1 calc R U P F 1
H36B H 0.5046 1.2278 0.4002 0.137 Uiso 0.5 1 calc R U P F 1
H36C H 0.4922 1.2237 0.4656 0.137 Uiso 0.5 1 calc R U P F 1
C37 C 0.6041(16) 1.341(5) 0.4818(14) 0.091(4) Uani 0.5 1 d D . P F 1
H37A H 0.6439 1.3141 0.4999 0.137 Uiso 0.5 1 calc R U P F 1
H37B H 0.5881 1.4165 0.5103 0.137 Uiso 0.5 1 calc R U P F 1
H37C H 0.6005 1.4198 0.4449 0.137 Uiso 0.5 1 calc R U P F 1
O3' O 0.4821(9) 1.261(5) 0.4315(9) 0.091(4) Uani 0.5 1 d D . P G 2
C35' C 0.5318(9) 1.251(5) 0.4529(6) 0.091(4) Uani 0.5 1 d D . P G 2
C36' C 0.5616(18) 1.054(5) 0.4630(15) 0.091(4) Uani 0.5 1 d D . P G 2
H36D H 0.5345 0.9456 0.4497 0.137 Uiso 0.5 1 calc R U P G 2
H36E H 0.5794 1.0377 0.5060 0.137 Uiso 0.5 1 calc R U P G 2
H36F H 0.5904 1.0493 0.4400 0.137 Uiso 0.5 1 calc R U P G 2
C37' C 0.5678(16) 1.433(5) 0.4710(14) 0.091(4) Uani 0.5 1 d D . P G 2
H37D H 0.5444 1.5531 0.4624 0.137 Uiso 0.5 1 calc R U P G 2
H37E H 0.5967 1.4373 0.4482 0.137 Uiso 0.5 1 calc R U P G 2
H37F H 0.5857 1.4266 0.5142 0.137 Uiso 0.5 1 calc R U P G 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
Hg1 C1 2.062(9) . ?
Hg1 C18 2.063(9) . ?
Hg1 Pt1 3.2469(8) . ?
Hg2 C12 2.059(9) . ?
Hg2 C13 2.065(9) . ?
Hg3 C7 2.068(11) . ?
Hg3 C6 2.071(11) . ?
Pt1 C34 1.969(4) . ?
Pt1 C34' 1.971(8) . ?
Pt1 O1 2.004(9) . ?
Pt1 N1 2.009(5) . ?
Pt1 O2 2.027(7) . ?
Pt1 N1' 2.054(6) . ?
F1 C2 1.363(14) . ?
F2 C3 1.336(14) . ?
F3 C4 1.340(12) . ?
F4 C5 1.372(13) . ?
F5 C8 1.345(14) . ?
F6 C9 1.338(13) . ?
F7 C10 1.346(15) . ?
F8 C11 1.342(14) . ?
F9 C14 1.381(12) . ?
F10 C15 1.359(11) . ?
F11 C16 1.336(11) . ?
F12 C17 1.366(12) . ?
F13 C30 1.345(2) . ?
F14 C32 1.342(2) . ?
F13' C27 1.340(2) . ?
F14' C25 1.339(2) . ?
O1 C19 1.289(13) . ?
O2 C21 1.294(12) . ?
N1 C28 1.364(3) . ?
N1 C24 1.367(3) . ?
C34' C28 1.389(3) . ?
C34' C24 1.390(3) . ?
C1 C2 1.363(15) . ?
C1 C6 1.419(15) . ?
C2 C3 1.390(16) . ?
C3 C4 1.397(19) . ?
C4 C5 1.396(18) . ?
C5 C6 1.371(14) . ?
C7 C12 1.389(15) . ?
C7 C8 1.416(15) . ?
C8 C9 1.374(19) . ?
C9 C10 1.38(2) . ?
C10 C11 1.369(17) . ?
C11 C12 1.401(16) . ?
C13 C14 1.384(13) . ?
C13 C18 1.424(14) . ?
C14 C15 1.374(14) . ?
C15 C16 1.365(16) . ?
C16 C17 1.366(15) . ?
C17 C18 1.376(13) . ?
C19 C20 1.394(16) . ?
C19 C22 1.492(17) . ?
C20 C21 1.377(17) . ?
C20 H20 0.9500 . ?
C21 C23 1.501(15) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25 1.393(2) . ?
C24 H24 0.9500 . ?
C25 C26 1.398(2) . ?
C25 H25 0.9500 . ?
C26 C27 1.396(2) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(2) . ?
C27 H27 0.9500 . ?
C28 C29 1.448(3) . ?
C29 N1' 1.357(3) . ?
C29 C30 1.387(2) . ?
C29 C34 1.396(3) . ?
C30 C31 1.394(2) . ?
C30 H30 0.9500 . ?
C31 C32 1.396(2) . ?
C31 H31 0.9500 . ?
C32 C33 1.391(2) . ?
C32 H32 0.9500 . ?
C33 N1' 1.357(3) . ?
C33 C34 1.399(3) . ?
C33 H33 0.9500 . ?
O3 C35 1.200(3) . ?
C35 C36 1.500(3) . ?
C35 C37 1.500(3) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
O3' C35' 1.199(3) . ?
C35' C36' 1.500(3) . ?
C35' C37' 1.500(3) . ?
C36' H36D 0.9800 . ?
C36' H36E 0.9800 . ?
C36' H36F 0.9800 . ?
C37' H37D 0.9800 . ?
C37' H37E 0.9800 . ?
C37' H37F 0.9800 . ?

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
C1 Hg1 C18 177.0(4) . . ?
C1 Hg1 Pt1 87.9(3) . . ?
C18 Hg1 Pt1 91.1(2) . . ?
C12 Hg2 C13 174.9(4) . . ?
C7 Hg3 C6 175.1(4) . . ?
C34 Pt1 O1 93.9(3) . . ?
C34' Pt1 O1 175.1(5) . . ?
C34 Pt1 N1 82.1(2) . . ?
O1 Pt1 N1 176.0(3) . . ?
C34 Pt1 O2 174.1(3) . . ?
C34' Pt1 O2 91.7(3) . . ?
O1 Pt1 O2 92.0(3) . . ?
N1 Pt1 O2 92.0(3) . . ?
C34' Pt1 N1' 82.2(2) . . ?
O1 Pt1 N1' 94.0(3) . . ?
O2 Pt1 N1' 173.7(3) . . ?
C34 Pt1 Hg1 92.18(12) . . ?
C34' Pt1 Hg1 92.3(7) . . ?
O1 Pt1 Hg1 84.6(2) . . ?
N1 Pt1 Hg1 95.37(13) . . ?
O2 Pt1 Hg1 88.20(19) . . ?
N1' Pt1 Hg1 90.5(6) . . ?
C19 O1 Pt1 125.0(8) . . ?
C21 O2 Pt1 124.0(8) . . ?
C28 N1 C24 120.5(2) . . ?
C28 N1 Pt1 113.2(3) . . ?
C24 N1 Pt1 126.3(3) . . ?
C28 C34' C24 117.2(4) . . ?
C28 C34' Pt1 114.1(4) . . ?
C24 C34' Pt1 127.7(5) . . ?
C2 C1 C6 118.0(9) . . ?
C2 C1 Hg1 121.0(8) . . ?
C6 C1 Hg1 120.9(7) . . ?
C1 C2 F1 120.8(10) . . ?
C1 C2 C3 124.0(11) . . ?
F1 C2 C3 115.2(11) . . ?
F2 C3 C2 122.8(12) . . ?
F2 C3 C4 119.1(11) . . ?
C2 C3 C4 118.0(11) . . ?
F3 C4 C5 120.3(11) . . ?
F3 C4 C3 121.2(11) . . ?
C5 C4 C3 118.5(10) . . ?
C6 C5 F4 120.6(11) . . ?
C6 C5 C4 122.9(11) . . ?
F4 C5 C4 116.5(10) . . ?
C5 C6 C1 118.6(10) . . ?
C5 C6 Hg3 119.8(9) . . ?
C1 C6 Hg3 121.6(7) . . ?
C12 C7 C8 118.3(10) . . ?
C12 C7 Hg3 124.6(7) . . ?
C8 C7 Hg3 117.2(8) . . ?
F5 C8 C9 117.2(10) . . ?
F5 C8 C7 120.9(11) . . ?
C9 C8 C7 121.9(12) . . ?
F6 C9 C8 121.8(13) . . ?
F6 C9 C10 118.8(12) . . ?
C8 C9 C10 119.4(11) . . ?
F7 C10 C11 120.8(14) . . ?
F7 C10 C9 119.6(12) . . ?
C11 C10 C9 119.5(12) . . ?
F8 C11 C10 118.5(11) . . ?
F8 C11 C12 119.2(10) . . ?
C10 C11 C12 122.3(12) . . ?
C7 C12 C11 118.6(9) . . ?
C7 C12 Hg2 120.1(8) . . ?
C11 C12 Hg2 121.3(8) . . ?
C14 C13 C18 117.4(8) . . ?
C14 C13 Hg2 120.0(7) . . ?
C18 C13 Hg2 122.5(7) . . ?
C15 C14 F9 118.2(9) . . ?
C15 C14 C13 122.8(10) . . ?
F9 C14 C13 118.9(9) . . ?
F10 C15 C16 119.5(9) . . ?
F10 C15 C14 120.6(10) . . ?
C16 C15 C14 119.8(9) . . ?
F11 C16 C17 121.3(10) . . ?
F11 C16 C15 120.4(10) . . ?
C17 C16 C15 118.3(9) . . ?
F12 C17 C16 117.2(9) . . ?
F12 C17 C18 118.6(9) . . ?
C16 C17 C18 124.2(10) . . ?
C17 C18 C13 117.5(9) . . ?
C17 C18 Hg1 120.7(8) . . ?
C13 C18 Hg1 121.8(7) . . ?
O1 C19 C20 125.6(11) . . ?
O1 C19 C22 115.7(10) . . ?
C20 C19 C22 118.7(10) . . ?
C21 C20 C19 126.9(10) . . ?
C21 C20 H20 116.6 . . ?
C19 C20 H20 116.6 . . ?
O2 C21 C20 126.1(10) . . ?
O2 C21 C23 113.8(10) . . ?
C20 C21 C23 120.1(9) . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
N1 C24 C25 120.0(2) . . ?
C34' C24 C25 121.3(3) . . ?
N1 C24 H24 120.0 . . ?
C25 C24 H24 120.0 . . ?
F14' C25 C24 120.1(3) . . ?
F14' C25 C26 119.6(3) . . ?
C24 C25 C26 120.25(19) . . ?
C24 C25 H25 119.9 . . ?
C26 C25 H25 119.9 . . ?
C27 C26 C25 118.7(2) . . ?
C27 C26 H26 120.7 . . ?
C25 C26 H26 120.7 . . ?
F13' C27 C28 120.0(3) . . ?
F13' C27 C26 120.3(3) . . ?
C28 C27 C26 119.70(19) . . ?
C28 C27 H27 120.1 . . ?
C26 C27 H27 120.1 . . ?
N1 C28 C27 120.8(2) . . ?
C34' C28 C27 122.1(3) . . ?
N1 C28 C29 116.3(4) . . ?
C34' C28 C29 114.9(4) . . ?
C27 C28 C29 122.9(4) . . ?
N1' C29 C30 117.6(3) . . ?
C30 C29 C34 120.9(2) . . ?
N1' C29 C28 116.9(4) . . ?
C30 C29 C28 125.5(4) . . ?
C34 C29 C28 113.7(4) . . ?
F13 C30 C29 120.1(2) . . ?
F13 C30 C31 119.8(2) . . ?
C29 C30 C31 120.09(19) . . ?
C29 C30 H30 120.0 . . ?
C31 C30 H30 120.0 . . ?
C30 C31 C32 119.2(2) . . ?
C30 C31 H31 120.4 . . ?
C32 C31 H31 120.4 . . ?
F14 C32 C33 119.9(2) . . ?
F14 C32 C31 119.2(2) . . ?
C33 C32 C31 120.89(19) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
N1' C33 C32 116.6(3) . . ?
C32 C33 C34 119.8(2) . . ?
C32 C33 H33 120.1 . . ?
C34 C33 H33 120.1 . . ?
C29 C34 C33 119.2(2) . . ?
C29 C34 Pt1 114.7(3) . . ?
C33 C34 Pt1 126.1(3) . . ?
C33 N1' C29 125.3(4) . . ?
C33 N1' Pt1 122.8(4) . . ?
C29 N1' Pt1 111.6(4) . . ?
O3 C35 C36 115(3) . . ?
O3 C35 C37 127(3) . . ?
C36 C35 C37 118(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
O3' C35' C36' 121(3) . . ?
O3' C35' C37' 123(3) . . ?
C36' C35' C37' 116(3) . . ?
C35' C36' H36D 109.5 . . ?
C35' C36' H36E 109.5 . . ?
H36D C36' H36E 109.5 . . ?
C35' C36' H36F 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C35' C37' H37D 109.5 . . ?
C35' C37' H37E 109.5 . . ?
H37D C37' H37E 109.5 . . ?
C35' C37' H37F 109.5 . . ?
H37D C37' H37F 109.5 . . ?
H37E C37' H37F 109.5 . . ?

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
C6 C1 C2 F1 179.2(9) . . . . ?
Hg1 C1 C2 F1 -4.2(14) . . . . ?
C6 C1 C2 C3 1.5(16) . . . . ?
Hg1 C1 C2 C3 178.1(8) . . . . ?
C1 C2 C3 F2 179.3(10) . . . . ?
F1 C2 C3 F2 1.4(16) . . . . ?
C1 C2 C3 C4 -1.6(17) . . . . ?
F1 C2 C3 C4 -179.4(10) . . . . ?
F2 C3 C4 F3 -0.4(17) . . . . ?
C2 C3 C4 F3 -179.6(10) . . . . ?
F2 C3 C4 C5 -179.7(10) . . . . ?
C2 C3 C4 C5 1.2(16) . . . . ?
F3 C4 C5 C6 179.9(10) . . . . ?
C3 C4 C5 C6 -0.9(17) . . . . ?
F3 C4 C5 F4 1.2(16) . . . . ?
C3 C4 C5 F4 -179.6(10) . . . . ?
F4 C5 C6 C1 179.4(9) . . . . ?
C4 C5 C6 C1 0.8(16) . . . . ?
F4 C5 C6 Hg3 0.4(14) . . . . ?
C4 C5 C6 Hg3 -178.3(8) . . . . ?
C2 C1 C6 C5 -1.0(14) . . . . ?
Hg1 C1 C6 C5 -177.6(7) . . . . ?
C2 C1 C6 Hg3 178.0(7) . . . . ?
Hg1 C1 C6 Hg3 1.4(11) . . . . ?
C12 C7 C8 F5 -179.1(9) . . . . ?
Hg3 C7 C8 F5 0.2(13) . . . . ?
C12 C7 C8 C9 0.2(16) . . . . ?
Hg3 C7 C8 C9 179.4(9) . . . . ?
F5 C8 C9 F6 -1.4(19) . . . . ?
C7 C8 C9 F6 179.3(11) . . . . ?
F5 C8 C9 C10 179.5(11) . . . . ?
C7 C8 C9 C10 0.1(19) . . . . ?
F6 C9 C10 F7 0(2) . . . . ?
C8 C9 C10 F7 179.4(12) . . . . ?
F6 C9 C10 C11 -179.6(12) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
F7 C10 C11 F8 1.6(19) . . . . ?
C9 C10 C11 F8 -178.6(12) . . . . ?
F7 C10 C11 C12 -179.4(11) . . . . ?
C9 C10 C11 C12 0.4(19) . . . . ?
C8 C7 C12 C11 -0.2(14) . . . . ?
Hg3 C7 C12 C11 -179.4(7) . . . . ?
C8 C7 C12 Hg2 179.2(7) . . . . ?
Hg3 C7 C12 Hg2 0.0(11) . . . . ?
F8 C11 C12 C7 178.8(9) . . . . ?
C10 C11 C12 C7 -0.1(16) . . . . ?
F8 C11 C12 Hg2 -0.5(14) . . . . ?
C10 C11 C12 Hg2 -179.5(9) . . . . ?
C18 C13 C14 C15 0.1(15) . . . . ?
Hg2 C13 C14 C15 177.0(8) . . . . ?
C18 C13 C14 F9 -177.1(8) . . . . ?
Hg2 C13 C14 F9 -0.2(12) . . . . ?
F9 C14 C15 F10 -1.7(15) . . . . ?
C13 C14 C15 F10 -178.9(9) . . . . ?
F9 C14 C15 C16 177.6(9) . . . . ?
C13 C14 C15 C16 0.4(16) . . . . ?
F10 C15 C16 F11 -1.9(16) . . . . ?
C14 C15 C16 F11 178.8(9) . . . . ?
F10 C15 C16 C17 179.0(10) . . . . ?
C14 C15 C16 C17 -0.3(16) . . . . ?
F11 C16 C17 F12 2.2(15) . . . . ?
C15 C16 C17 F12 -178.7(9) . . . . ?
F11 C16 C17 C18 -179.3(9) . . . . ?
C15 C16 C17 C18 -0.3(16) . . . . ?
F12 C17 C18 C13 179.2(8) . . . . ?
C16 C17 C18 C13 0.8(15) . . . . ?
F12 C17 C18 Hg1 2.0(12) . . . . ?
C16 C17 C18 Hg1 -176.5(8) . . . . ?
C14 C13 C18 C17 -0.7(13) . . . . ?
Hg2 C13 C18 C17 -177.4(7) . . . . ?
C14 C13 C18 Hg1 176.5(7) . . . . ?
Hg2 C13 C18 Hg1 -0.2(11) . . . . ?
Pt1 O1 C19 C20 1.5(14) . . . . ?
Pt1 O1 C19 C22 -179.1(7) . . . . ?
O1 C19 C20 C21 4.3(17) . . . . ?
C22 C19 C20 C21 -175.0(10) . . . . ?
Pt1 O2 C21 C20 -0.1(14) . . . . ?
Pt1 O2 C21 C23 -179.6(6) . . . . ?
C19 C20 C21 O2 -5.1(17) . . . . ?
C19 C20 C21 C23 174.4(9) . . . . ?
C28 N1 C24 C34' 107(6) . . . . ?
Pt1 N1 C24 C34' -70(6) . . . . ?
C28 N1 C24 C25 -0.01(9) . . . . ?
Pt1 N1 C24 C25 -177.9(2) . . . . ?
C28 C34' C24 N1 -65(5) . . . . ?
Pt1 C34' C24 N1 102(8) . . . . ?
C28 C34' C24 C25 10(3) . . . . ?
Pt1 C34' C24 C25 177.4(11) . . . . ?
N1 C24 C25 F14' 179.99(6) . . . . ?
C34' C24 C25 F14' 174.8(13) . . . . ?
N1 C24 C25 C26 0.01(9) . . . . ?
C34' C24 C25 C26 -5.2(13) . . . . ?
F14' C25 C26 C27 -179.99(6) . . . . ?
C24 C25 C26 C27 0.00(9) . . . . ?
C25 C26 C27 F13' 180.00(5) . . . . ?
C25 C26 C27 C28 0.00(9) . . . . ?
C24 N1 C28 C34' -107(6) . . . . ?
Pt1 N1 C28 C34' 71(6) . . . . ?
C24 N1 C28 C27 0.01(9) . . . . ?
Pt1 N1 C28 C27 178.18(18) . . . . ?
C24 N1 C28 C29 180.00(6) . . . . ?
Pt1 N1 C28 C29 -1.83(19) . . . . ?
C24 C34' C28 N1 66(4) . . . . ?
Pt1 C34' C28 N1 -103(7) . . . . ?
C24 C34' C28 C27 -10(3) . . . . ?
Pt1 C34' C28 C27 -179.2(6) . . . . ?
C24 C34' C28 C29 174.7(13) . . . . ?
Pt1 C34' C28 C29 5.7(18) . . . . ?
F13' C27 C28 N1 180.00(5) . . . . ?
C26 C27 C28 N1 -0.01(9) . . . . ?
F13' C27 C28 C34' -174.7(13) . . . . ?
C26 C27 C28 C34' 5.3(13) . . . . ?
F13' C27 C28 C29 0.01(9) . . . . ?
C26 C27 C28 C29 180.00(6) . . . . ?
N1 C28 C29 N1' 2.8(10) . . . . ?
C34' C28 C29 N1' -2.1(15) . . . . ?
C27 C28 C29 N1' -177.2(10) . . . . ?
N1 C28 C29 C30 -179.99(6) . . . . ?
C34' C28 C29 C30 175.1(12) . . . . ?
C27 C28 C29 C30 0.00(10) . . . . ?
N1 C28 C29 C34 0.00(8) . . . . ?
C34' C28 C29 C34 -4.9(12) . . . . ?
C27 C28 C29 C34 179.99(6) . . . . ?
N1' C29 C30 F13 177.2(10) . . . . ?
C34 C29 C30 F13 -179.99(5) . . . . ?
C28 C29 C30 F13 0.00(9) . . . . ?
N1' C29 C30 C31 -2.8(10) . . . . ?
C34 C29 C30 C31 0.00(9) . . . . ?
C28 C29 C30 C31 180.00(6) . . . . ?
F13 C30 C31 C32 180.00(5) . . . . ?
C29 C30 C31 C32 0.1(4) . . . . ?
C30 C31 C32 F14 179.99(5) . . . . ?
C30 C31 C32 C33 0.00(9) . . . . ?
F14 C32 C33 N1' -177.2(10) . . . . ?
C31 C32 C33 N1' 2.8(10) . . . . ?
F14 C32 C33 C34 -179.99(5) . . . . ?
C31 C32 C33 C34 -0.01(9) . . . . ?
N1' C29 C34 C33 38(10) . . . . ?
C30 C29 C34 C33 -0.01(9) . . . . ?
C28 C29 C34 C33 180.00(6) . . . . ?
N1' C29 C34 Pt1 -140(10) . . . . ?
C30 C29 C34 Pt1 -178.12(19) . . . . ?
C28 C29 C34 Pt1 1.9(2) . . . . ?
N1' C33 C34 C29 -39(10) . . . . ?
C32 C33 C34 C29 0.01(9) . . . . ?
N1' C33 C34 Pt1 139(10) . . . . ?
C32 C33 C34 Pt1 177.9(2) . . . . ?
C32 C33 N1' C29 -6(2) . . . . ?
C34 C33 N1' C29 136(12) . . . . ?
C32 C33 N1' Pt1 -179.6(8) . . . . ?
C34 C33 N1' Pt1 -37(9) . . . . ?
C30 C29 N1' C33 6(2) . . . . ?
C34 C29 N1' C33 -137(12) . . . . ?
C28 C29 N1' C33 -176.4(13) . . . . ?
C30 C29 N1' Pt1 -179.7(5) . . . . ?
C34 C29 N1' Pt1 37(9) . . . . ?
C28 C29 N1' Pt1 -2.3(14) . . . . ?

_refine_diff_density_max         2.916
_refine_diff_density_min         -3.160
_refine_diff_density_rms         0.279

_shelxl_version_number           2013-4

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_5Hg3
_database_code_depnum_ccdc_archive 'CCDC 2175145'
loop_
_audit_author_name
_audit_author_address
'Victor Khrustalev'
;Peoples Friendship University of Russia (RUDN University, Moscow)
Russia
;
_audit_update_record             
;
2022-05-26 deposited with the CCDC.	2022-11-18 downloaded from the CCDC.
;
_audit_creation_date             2021-06-03
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2021.06.01 svn.r985b505f for OlexSys, GUI svn.r6335)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C18 F12 Hg3, C22 H25 F2 N O2 Pt, C3 H6 O'
_chemical_formula_sum            'C43 H31 F14 Hg3 N O3 Pt'
_chemical_formula_weight         1672.55
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0018 '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'
F F 0.0199 0.0115 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.9722 9.9715 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0074 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0129 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -2.0791 9.0762 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.8111(14)
_cell_length_b                   14.3859(18)
_cell_length_c                   27.258(3)
_cell_angle_alpha                90
_cell_angle_beta                 95.647(11)
_cell_angle_gamma                90
_cell_volume                     4218.8(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    600
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      1.7
_shelx_estimated_absorpt_T_max   0.500
_shelx_estimated_absorpt_T_min   0.399
_exptl_absorpt_coefficient_mu    16.067
_exptl_absorpt_correction_T_max  0.434
_exptl_absorpt_correction_T_min  0.333
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3056
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0233
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            40689
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.680
_diffrn_ambient_temperature      100.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rayonix SX165 CCD'
_diffrn_measurement_method       '/f scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.745
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6647
_reflns_number_total             7143
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_data_reduction        iMosflm
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_refine_diff_density_max         2.500
_refine_diff_density_min         -1.829
_refine_diff_density_rms         0.170
_refine_ls_extinction_coef       0.00077(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     612
_refine_ls_number_reflns         7143
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0324
_refine_ls_R_factor_gt           0.0291
_refine_ls_restrained_S_all      1.122
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0101P)²+69.8646P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0633
_refine_ls_wR_factor_ref         0.0648
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{C40, N40}
{N1, C1A}
2. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(C40)
Uanis(N1) = Uanis(C1A)
Uanis(C40) = Uanis(N40)
3. Others
 Sof(N40)=Sof(C1A)=1-FVAR(1)
 Sof(N1)=Sof(C40)=FVAR(1)
 Fixed Sof: F13B(0.8) F14(0.8) H31(0.8) H36(0.2) H38(0.2) H33(0.8) F15A(0.2)
 F13(0.2)
4.a Aromatic/amide H refined with riding coordinates:
 C20(H20), C30(H30), C31(H31), C32(H32), C36(H36), C37(H37), C38(H38), C39(H39)
4.b Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C25(H25A,H25B,H25C), C27(H27A,H27B,
 H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C42(H42A,H42B,H42C), C43(H43A,
 H43B,H43C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.56726(3) 0.21099(2) 0.63973(2) 0.02124(9) Uani 1 1 d . . . . .
Hg2 Hg 0.81554(3) 0.22139(2) 0.56420(2) 0.02174(9) Uani 1 1 d . . . . .
Hg3 Hg 0.52107(3) 0.13154(2) 0.51292(2) 0.02159(9) Uani 1 1 d . . . . .
Pt1 Pt 0.58444(3) 0.42451(2) 0.58605(2) 0.02157(9) Uani 1 1 d . . . . .
F1 F 0.6809(4) 0.2631(3) 0.74934(17) 0.0313(11) Uani 1 1 d . . . . .
F2 F 0.9110(5) 0.3151(4) 0.78639(18) 0.0388(13) Uani 1 1 d . . . . .
F3 F 1.0945(4) 0.3380(4) 0.72627(18) 0.0341(12) Uani 1 1 d . . . . .
F4 F 1.0503(4) 0.3040(3) 0.62896(17) 0.0298(11) Uani 1 1 d . . . . .
F5 F 0.9953(4) 0.2127(3) 0.48143(17) 0.0316(11) Uani 1 1 d . . . . .
F6 F 0.9697(4) 0.1570(4) 0.38708(18) 0.0330(11) Uani 1 1 d . . . . .
F7 F 0.7463(5) 0.0898(3) 0.34612(17) 0.0322(11) Uani 1 1 d . . . . .
F8 F 0.5530(4) 0.0791(3) 0.40006(18) 0.0319(11) Uani 1 1 d . . . . .
F9 F 0.2401(4) 0.0701(3) 0.49331(17) 0.0302(11) Uani 1 1 d . . . . .
F10 F 0.0519(4) 0.0600(3) 0.55168(18) 0.0303(11) Uani 1 1 d . . . . .
F11 F 0.0904(4) 0.1132(3) 0.64717(17) 0.0290(11) Uani 1 1 d . . . . .
F12 F 0.3110(4) 0.1801(3) 0.68463(17) 0.0279(10) Uani 1 1 d . . . . .
F13B F 0.5525(5) 0.3385(4) 0.3988(2) 0.0278(13) Uani 0.8 1 d . . P A 2
F14 F 0.9452(5) 0.4347(4) 0.4661(2) 0.0323(14) Uani 0.8 1 d . . P B 2
O1 O 0.4853(5) 0.4351(4) 0.6468(2) 0.0266(12) Uani 1 1 d . . . . .
O2 O 0.7359(5) 0.4828(4) 0.62318(19) 0.0251(12) Uani 1 1 d . . . . .
O3 O 0.6921(5) 0.0465(4) 0.5974(2) 0.0281(13) Uani 1 1 d . . . . .
N1 N 0.4371(6) 0.3780(4) 0.5426(2) 0.0234(11) Uani 0.93(6) 1 d . . P C 2
C1 C 0.7458(7) 0.2537(5) 0.6686(3) 0.0239(17) Uani 1 1 d . . . . .
C2 C 0.7699(7) 0.2716(5) 0.7179(3) 0.0242(17) Uani 1 1 d . . . . .
C3 C 0.8872(8) 0.2980(6) 0.7381(3) 0.0267(18) Uani 1 1 d . . . . .
C4 C 0.9798(7) 0.3102(6) 0.7074(3) 0.0264(18) Uani 1 1 d . . . . .
C5 C 0.9562(8) 0.2917(6) 0.6577(3) 0.0250(17) Uani 1 1 d . . . . .
C6 C 0.8413(7) 0.2614(5) 0.6375(3) 0.0231(17) Uani 1 1 d . . . . .
C7 C 0.7862(7) 0.1744(5) 0.4920(3) 0.0219(16) Uani 1 1 d . . . . .
C8 C 0.8829(7) 0.1788(5) 0.4627(3) 0.0237(17) Uani 1 1 d . . . . .
C9 C 0.8725(7) 0.1519(6) 0.4143(3) 0.0246(17) Uani 1 1 d . . . . .
C10 C 0.7593(8) 0.1183(6) 0.3933(3) 0.0274(18) Uani 1 1 d . . . . .
C11 C 0.6629(8) 0.1129(5) 0.4221(3) 0.0252(17) Uani 1 1 d . . . . .
C12 C 0.6721(8) 0.1392(5) 0.4706(3) 0.0240(17) Uani 1 1 d . . . . .
C13 C 0.3776(7) 0.1303(5) 0.5584(3) 0.0222(16) Uani 1 1 d . . . . .
C14 C 0.2624(7) 0.0988(5) 0.5405(3) 0.0226(17) Uani 1 1 d . . . . .
C15 C 0.1638(7) 0.0941(5) 0.5695(3) 0.0239(17) Uani 1 1 d . . . . .
C16 C 0.1836(7) 0.1205(5) 0.6183(3) 0.0229(17) Uani 1 1 d . . . . .
C17 C 0.2986(8) 0.1542(6) 0.6361(3) 0.0263(18) Uani 1 1 d . . . . .
C18 C 0.3948(7) 0.1597(5) 0.6080(3) 0.0241(17) Uani 1 1 d . . . . .
C19 C 0.5269(8) 0.4744(5) 0.6877(3) 0.0249(17) Uani 1 1 d . . . . .
C20 C 0.6453(8) 0.5122(6) 0.6978(3) 0.0270(18) Uani 1 1 d . . . . .
H20 H 0.664111 0.537552 0.729837 0.032 Uiso 1 1 calc R U . . .
C21 C 0.7393(8) 0.5172(6) 0.6665(3) 0.0249(17) Uani 1 1 d . . . . .
C22 C 0.4301(8) 0.4773(5) 0.7253(3) 0.0242(17) Uani 1 1 d . . . . .
C23 C 0.4759(8) 0.5285(7) 0.7729(3) 0.034(2) Uani 1 1 d . . . . .
H23A H 0.550275 0.497562 0.788563 0.051 Uiso 1 1 calc R U . . .
H23B H 0.410605 0.527904 0.795421 0.051 Uiso 1 1 calc R U . . .
H23C H 0.496077 0.592974 0.765149 0.051 Uiso 1 1 calc R U . . .
C24 C 0.3978(8) 0.3765(6) 0.7377(4) 0.036(2) Uani 1 1 d . . . . .
H24A H 0.471561 0.345827 0.754053 0.053 Uiso 1 1 calc R U . . .
H24B H 0.369990 0.343193 0.707219 0.053 Uiso 1 1 calc R U . . .
H24C H 0.331276 0.376316 0.759633 0.053 Uiso 1 1 calc R U . . .
C25 C 0.3144(9) 0.5260(7) 0.7014(3) 0.039(2) Uani 1 1 d . . . . .
H25A H 0.336599 0.588214 0.690574 0.059 Uiso 1 1 calc R U . . .
H25B H 0.252712 0.531115 0.725281 0.059 Uiso 1 1 calc R U . . .
H25C H 0.279331 0.489846 0.672821 0.059 Uiso 1 1 calc R U . . .
C26 C 0.8560(8) 0.5745(6) 0.6824(3) 0.0254(17) Uani 1 1 d . . . . .
C27 C 0.9083(8) 0.5551(6) 0.7358(3) 0.033(2) Uani 1 1 d . . . . .
H27A H 0.928628 0.488942 0.739615 0.049 Uiso 1 1 calc R U . . .
H27B H 0.846210 0.571837 0.758187 0.049 Uiso 1 1 calc R U . . .
H27C H 0.983660 0.592216 0.743852 0.049 Uiso 1 1 calc R U . . .
C28 C 0.9597(9) 0.5570(7) 0.6483(3) 0.036(2) Uani 1 1 d . . . . .
H28A H 0.979864 0.490557 0.648223 0.054 Uiso 1 1 calc R U . . .
H28B H 1.033991 0.592461 0.660240 0.054 Uiso 1 1 calc R U . . .
H28C H 0.931007 0.576835 0.614667 0.054 Uiso 1 1 calc R U . . .
C29 C 0.8174(9) 0.6780(6) 0.6781(4) 0.037(2) Uani 1 1 d . . . . .
H29A H 0.754910 0.691021 0.700919 0.055 Uiso 1 1 calc R U . . .
H29B H 0.782402 0.691122 0.644292 0.055 Uiso 1 1 calc R U . . .
H29C H 0.890457 0.717334 0.686413 0.055 Uiso 1 1 calc R U . . .
C30 C 0.3238(8) 0.3673(6) 0.5580(3) 0.0266(18) Uani 1 1 d . . . . .
H30 H 0.312181 0.378411 0.591638 0.032 Uiso 1 1 calc R U . C .
C31 C 0.2240(9) 0.3403(6) 0.5257(3) 0.030(2) Uani 1 1 d . . . . .
H31 H 0.144178 0.333312 0.537025 0.036 Uiso 0.8 1 calc R U P D 2
C32 C 0.2400(8) 0.3235(6) 0.4769(3) 0.0293(19) Uani 1 1 d . . . . .
H32 H 0.171813 0.305017 0.454404 0.035 Uiso 1 1 calc R U . . .
C33 C 0.3571(9) 0.3341(6) 0.4615(4) 0.029(2) Uani 1 1 d . . . . .
C34 C 0.4569(8) 0.3627(6) 0.4943(3) 0.0288(19) Uani 1 1 d . . . . .
C35 C 0.5841(8) 0.3806(5) 0.4838(3) 0.0270(18) Uani 1 1 d . . . . .
C36 C 0.6328(9) 0.3703(5) 0.4385(3) 0.0283(19) Uani 1 1 d . . . . .
H36 H 0.579262 0.349174 0.411025 0.034 Uiso 0.2 1 calc R U P A 1
C37 C 0.7532(9) 0.3891(6) 0.4319(3) 0.030(2) Uani 1 1 d . . . . .
H37 H 0.783356 0.382530 0.400493 0.036 Uiso 1 1 calc R U . . .
C38 C 0.8304(8) 0.4183(6) 0.4725(3) 0.0307(19) Uani 1 1 d . . . . .
H38 H 0.915466 0.430043 0.468800 0.037 Uiso 0.2 1 calc R U P B 1
C39 C 0.7878(8) 0.4309(6) 0.5184(3) 0.0264(18) Uani 1 1 d . . . . .
H39 H 0.842401 0.452245 0.545535 0.032 Uiso 1 1 calc R U . C .
C40 C 0.6664(8) 0.4120(5) 0.5241(3) 0.0234(11) Uani 0.93(6) 1 d . . P C 2
C41 C 0.7458(7) -0.0147(5) 0.6220(3) 0.0223(17) Uani 1 1 d . . . . .
C42 C 0.8441(8) 0.0062(6) 0.6634(3) 0.0308(19) Uani 1 1 d . . . . .
H42A H 0.849916 0.073631 0.668361 0.046 Uiso 1 1 calc R U . . .
H42B H 0.924343 -0.017684 0.655099 0.046 Uiso 1 1 calc R U . . .
H42C H 0.822209 -0.023542 0.693684 0.046 Uiso 1 1 calc R U . . .
C43 C 0.7203(7) -0.1154(6) 0.6121(3) 0.0266(18) Uani 1 1 d . . . . .
H43A H 0.658894 -0.121806 0.583327 0.040 Uiso 1 1 calc R U . . .
H43B H 0.687741 -0.143811 0.640866 0.040 Uiso 1 1 calc R U . . .
H43C H 0.797462 -0.146758 0.605537 0.040 Uiso 1 1 calc R U . . .
H33 H 0.357(10) 0.316(7) 0.433(5) 0.01(3) Uiso 0.8 1 d . . P E 2
N40 N 0.6664(8) 0.4120(5) 0.5241(3) 0.0234(11) Uani 0.07(6) 1 d . . P C 1
C1A C 0.4371(6) 0.3780(4) 0.5426(2) 0.0234(11) Uani 0.07(6) 1 d . . P C 1
F15A F 0.400(3) 0.3181(16) 0.4131(9) 0.028(5) Uani 0.2 1 d . . P F 1
F13 F 0.129(2) 0.3359(19) 0.5367(9) 0.035(6) Uani 0.2 1 d . . P G 1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Hg1 C1 2.104(8) . ?
Hg1 C18 2.110(8) . ?
Hg2 C6 2.071(8) . ?
Hg2 C7 2.075(8) . ?
Hg3 C12 2.093(8) . ?
Hg3 C13 2.078(8) . ?
Pt1 O1 2.064(6) . ?
Pt1 O2 2.021(6) . ?
Pt1 N1 2.005(7) . ?
Pt1 C40 1.991(8) . ?
Pt1 N40 1.991(8) . ?
Pt1 C1A 2.005(7) . ?
F1 C2 1.356(9) . ?
F2 C3 1.338(9) . ?
F3 C4 1.355(9) . ?
F4 C5 1.355(9) . ?
F5 C8 1.360(9) . ?
F6 C9 1.347(9) . ?
F7 C10 1.343(9) . ?
F8 C11 1.367(9) . ?
F9 C14 1.350(9) . ?
F10 C15 1.350(9) . ?
F11 C16 1.342(9) . ?
F12 C17 1.368(9) . ?
F13B C36 1.395(10) . ?
F14 C38 1.292(11) . ?
O1 C19 1.291(9) . ?
O2 C21 1.276(10) . ?
O3 C41 1.219(9) . ?
N1 C30 1.343(11) . ?
N1 C34 1.371(11) . ?
C1 C2 1.366(12) . ?
C1 C6 1.403(11) . ?
C2 C3 1.386(12) . ?
C3 C4 1.378(12) . ?
C4 C5 1.381(12) . ?
C5 C6 1.378(11) . ?
C7 C8 1.379(11) . ?
C7 C12 1.406(11) . ?
C8 C9 1.369(11) . ?
C9 C10 1.386(12) . ?
C10 C11 1.368(12) . ?
C11 C12 1.370(11) . ?
C13 C14 1.370(11) . ?
C13 C18 1.411(12) . ?
C14 C15 1.390(11) . ?
C15 C16 1.378(12) . ?
C16 C17 1.378(12) . ?
C17 C18 1.354(11) . ?
C19 C20 1.393(12) . ?
C19 C22 1.536(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.392(12) . ?
C21 C26 1.533(12) . ?
C22 C23 1.532(11) . ?
C22 C24 1.536(12) . ?
C22 C25 1.523(12) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.535(11) . ?
C26 C28 1.548(11) . ?
C26 C29 1.548(11) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30 0.9500 . ?
C30 C31 1.380(12) . ?
C30 C1A 1.343(11) . ?
C31 H31 0.9500 . ?
C31 C32 1.378(12) . ?
C31 F13 1.10(3) . ?
C32 H32 0.9500 . ?
C32 C33 1.382(13) . ?
C33 C34 1.395(12) . ?
C33 H33 0.81(12) . ?
C33 F15A 1.46(3) . ?
C34 C35 1.455(13) . ?
C34 C1A 1.371(11) . ?
C35 C36 1.397(12) . ?
C35 C40 1.418(11) . ?
C35 N40 1.418(11) . ?
C36 H36 0.9500 . ?
C36 C37 1.359(13) . ?
C37 H37 0.9500 . ?
C37 C38 1.384(13) . ?
C38 H38 0.9500 . ?
C38 C39 1.388(12) . ?
C39 H39 0.9500 . ?
C39 C40 1.364(12) . ?
C39 N40 1.364(12) . ?
C41 C42 1.503(11) . ?
C41 C43 1.495(11) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?

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
C1 Hg1 C18 175.6(3) . . ?
C6 Hg2 C7 176.9(3) . . ?
C13 Hg3 C12 176.0(3) . . ?
O2 Pt1 O1 91.5(2) . . ?
N1 Pt1 O1 93.1(2) . . ?
N1 Pt1 O2 172.9(2) . . ?
C40 Pt1 O1 175.1(3) . . ?
C40 Pt1 O2 93.2(3) . . ?
C40 Pt1 N1 82.1(3) . . ?
N40 Pt1 O1 175.1(3) . . ?
N40 Pt1 O2 93.2(3) . . ?
N40 Pt1 C1A 82.1(3) . . ?
C1A Pt1 O1 93.1(2) . . ?
C1A Pt1 O2 172.9(2) . . ?
C19 O1 Pt1 124.1(5) . . ?
C21 O2 Pt1 124.9(5) . . ?
C30 N1 Pt1 123.3(5) . . ?
C30 N1 C34 121.1(7) . . ?
C34 N1 Pt1 115.5(6) . . ?
C2 C1 Hg1 120.1(6) . . ?
C2 C1 C6 119.9(7) . . ?
C6 C1 Hg1 119.9(6) . . ?
F1 C2 C1 121.8(7) . . ?
F1 C2 C3 116.8(7) . . ?
C1 C2 C3 121.4(7) . . ?
F2 C3 C2 121.5(7) . . ?
F2 C3 C4 119.5(7) . . ?
C4 C3 C2 119.0(8) . . ?
F3 C4 C3 120.0(7) . . ?
F3 C4 C5 120.2(7) . . ?
C3 C4 C5 119.8(7) . . ?
F4 C5 C4 117.7(7) . . ?
F4 C5 C6 120.6(7) . . ?
C6 C5 C4 121.7(7) . . ?
C1 C6 Hg2 121.6(6) . . ?
C5 C6 Hg2 120.2(6) . . ?
C5 C6 C1 118.1(7) . . ?
C8 C7 Hg2 118.7(6) . . ?
C8 C7 C12 117.4(7) . . ?
C12 C7 Hg2 123.9(6) . . ?
F5 C8 C7 119.9(7) . . ?
F5 C8 C9 116.7(7) . . ?
C9 C8 C7 123.4(7) . . ?
F6 C9 C8 121.4(7) . . ?
F6 C9 C10 119.8(7) . . ?
C8 C9 C10 118.9(7) . . ?
F7 C10 C9 120.5(7) . . ?
F7 C10 C11 121.2(8) . . ?
C11 C10 C9 118.3(8) . . ?
F8 C11 C10 116.5(7) . . ?
F8 C11 C12 120.0(7) . . ?
C10 C11 C12 123.5(8) . . ?
C7 C12 Hg3 119.3(6) . . ?
C11 C12 Hg3 122.1(6) . . ?
C11 C12 C7 118.6(7) . . ?
C14 C13 Hg3 119.8(6) . . ?
C14 C13 C18 118.0(7) . . ?
C18 C13 Hg3 122.2(6) . . ?
F9 C14 C13 120.7(7) . . ?
F9 C14 C15 116.9(7) . . ?
C13 C14 C15 122.4(8) . . ?
F10 C15 C14 121.5(7) . . ?
F10 C15 C16 119.7(7) . . ?
C16 C15 C14 118.7(7) . . ?
F11 C16 C15 119.3(7) . . ?
F11 C16 C17 121.5(7) . . ?
C15 C16 C17 119.1(7) . . ?
F12 C17 C16 115.9(7) . . ?
C18 C17 F12 121.6(8) . . ?
C18 C17 C16 122.5(8) . . ?
C13 C18 Hg1 121.7(6) . . ?
C17 C18 Hg1 119.0(6) . . ?
C17 C18 C13 119.3(7) . . ?
O1 C19 C20 125.2(8) . . ?
O1 C19 C22 112.7(7) . . ?
C20 C19 C22 122.1(7) . . ?
C19 C20 H20 116.2 . . ?
C21 C20 C19 127.7(8) . . ?
C21 C20 H20 116.2 . . ?
O2 C21 C20 126.2(8) . . ?
O2 C21 C26 114.7(7) . . ?
C20 C21 C26 118.9(7) . . ?
C23 C22 C19 113.2(7) . . ?
C23 C22 C24 109.3(7) . . ?
C24 C22 C19 107.8(7) . . ?
C25 C22 C19 108.2(7) . . ?
C25 C22 C23 109.0(7) . . ?
C25 C22 C24 109.5(7) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C21 C26 C27 112.9(7) . . ?
C21 C26 C28 111.5(7) . . ?
C21 C26 C29 106.7(7) . . ?
C27 C26 C28 108.7(7) . . ?
C27 C26 C29 108.5(7) . . ?
C28 C26 C29 108.4(7) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C26 C29 H29A 109.5 . . ?
C26 C29 H29B 109.5 . . ?
C26 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
N1 C30 H30 119.6 . . ?
N1 C30 C31 120.8(8) . . ?
C31 C30 H30 119.6 . . ?
C1A C30 C31 120.8(8) . . ?
C30 C31 H31 120.0 . . ?
C32 C31 C30 120.1(9) . . ?
C32 C31 H31 120.0 . . ?
F13 C31 C30 122.2(16) . . ?
F13 C31 C32 117.6(15) . . ?
C31 C32 H32 120.6 . . ?
C31 C32 C33 118.7(8) . . ?
C33 C32 H32 120.6 . . ?
C32 C33 C34 120.7(9) . . ?
C32 C33 H33 110(8) . . ?
C32 C33 F15A 129.9(14) . . ?
C34 C33 H33 129(8) . . ?
C34 C33 F15A 109.4(12) . . ?
N1 C34 C33 118.6(8) . . ?
N1 C34 C35 113.7(7) . . ?
C33 C34 C35 127.7(8) . . ?
C1A C34 C33 118.6(8) . . ?
C1A C34 C35 113.7(7) . . ?
C36 C35 C34 127.0(8) . . ?
C36 C35 C40 117.1(8) . . ?
C36 C35 N40 117.1(8) . . ?
C40 C35 C34 115.9(7) . . ?
N40 C35 C34 115.9(7) . . ?
F13B C36 C35 117.3(8) . . ?
C35 C36 H36 118.5 . . ?
C37 C36 F13B 119.6(8) . . ?
C37 C36 C35 123.0(8) . . ?
C37 C36 H36 118.5 . . ?
C36 C37 H37 121.2 . . ?
C36 C37 C38 117.7(8) . . ?
C38 C37 H37 121.2 . . ?
F14 C38 C37 117.3(8) . . ?
F14 C38 C39 120.4(8) . . ?
C37 C38 H38 118.9 . . ?
C37 C38 C39 122.2(8) . . ?
C39 C38 H38 118.9 . . ?
C38 C39 H39 120.5 . . ?
C40 C39 C38 119.0(8) . . ?
C40 C39 H39 120.5 . . ?
N40 C39 C38 119.0(8) . . ?
C35 C40 Pt1 112.8(6) . . ?
C39 C40 Pt1 126.2(6) . . ?
C39 C40 C35 120.9(7) . . ?
O3 C41 C42 122.1(7) . . ?
O3 C41 C43 122.1(7) . . ?
C43 C41 C42 115.7(7) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C35 N40 Pt1 112.8(6) . . ?
C39 N40 Pt1 126.2(6) . . ?
C39 N40 C35 120.9(7) . . ?
C30 C1A Pt1 123.3(5) . . ?
C30 C1A C34 121.1(7) . . ?
C34 C1A Pt1 115.5(6) . . ?

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
Hg1 C1 C2 F1 -0.4(10) . . . . ?
Hg1 C1 C2 C3 178.7(6) . . . . ?
Hg1 C1 C6 Hg2 -5.0(9) . . . . ?
Hg1 C1 C6 C5 178.5(6) . . . . ?
Hg2 C7 C8 F5 0.6(10) . . . . ?
Hg2 C7 C8 C9 -178.3(6) . . . . ?
Hg2 C7 C12 Hg3 -0.5(9) . . . . ?
Hg2 C7 C12 C11 178.0(6) . . . . ?
Hg3 C13 C14 F9 -1.3(10) . . . . ?
Hg3 C13 C14 C15 178.3(6) . . . . ?
Hg3 C13 C18 Hg1 1.7(9) . . . . ?
Hg3 C13 C18 C17 -177.8(6) . . . . ?
Pt1 O1 C19 C20 -2.5(11) . . . . ?
Pt1 O1 C19 C22 176.5(5) . . . . ?
Pt1 O2 C21 C20 7.3(11) . . . . ?
Pt1 O2 C21 C26 -168.2(5) . . . . ?
Pt1 N1 C30 C31 176.1(6) . . . . ?
Pt1 N1 C34 C33 -177.4(6) . . . . ?
Pt1 N1 C34 C35 1.8(8) . . . . ?
F1 C2 C3 F2 -0.6(12) . . . . ?
F1 C2 C3 C4 -178.1(7) . . . . ?
F2 C3 C4 F3 1.0(12) . . . . ?
F2 C3 C4 C5 179.2(7) . . . . ?
F3 C4 C5 F4 -1.3(11) . . . . ?
F3 C4 C5 C6 178.5(7) . . . . ?
F4 C5 C6 Hg2 6.2(10) . . . . ?
F4 C5 C6 C1 -177.3(7) . . . . ?
F5 C8 C9 F6 1.4(11) . . . . ?
F5 C8 C9 C10 -178.9(7) . . . . ?
F6 C9 C10 F7 0.8(12) . . . . ?
F6 C9 C10 C11 179.2(7) . . . . ?
F7 C10 C11 F8 -1.3(12) . . . . ?
F7 C10 C11 C12 178.6(7) . . . . ?
F8 C11 C12 Hg3 -1.0(10) . . . . ?
F8 C11 C12 C7 -179.5(7) . . . . ?
F9 C14 C15 F10 1.7(11) . . . . ?
F9 C14 C15 C16 178.4(7) . . . . ?
F10 C15 C16 F11 -0.9(11) . . . . ?
F10 C15 C16 C17 179.3(7) . . . . ?
F11 C16 C17 F12 -0.5(11) . . . . ?
F11 C16 C17 C18 178.1(7) . . . . ?
F12 C17 C18 Hg1 -0.7(10) . . . . ?
F12 C17 C18 C13 178.7(7) . . . . ?
F13B C36 C37 C38 -178.4(7) . . . . ?
O1 C19 C20 C21 1.5(14) . . . . ?
O1 C19 C22 C23 -176.8(7) . . . . ?
O1 C19 C22 C24 62.3(9) . . . . ?
O1 C19 C22 C25 -55.9(9) . . . . ?
O2 C21 C26 C27 -137.7(7) . . . . ?
O2 C21 C26 C28 -15.0(10) . . . . ?
O2 C21 C26 C29 103.2(8) . . . . ?
N1 C30 C31 C32 0.4(12) . . . . ?
N1 C34 C35 C36 179.2(8) . . . . ?
N1 C34 C35 C40 -1.0(10) . . . . ?
C1 C2 C3 F2 -179.7(7) . . . . ?
C1 C2 C3 C4 2.8(12) . . . . ?
C2 C1 C6 Hg2 173.2(6) . . . . ?
C2 C1 C6 C5 -3.3(11) . . . . ?
C2 C3 C4 F3 178.6(7) . . . . ?
C2 C3 C4 C5 -3.2(12) . . . . ?
C3 C4 C5 F4 -179.5(7) . . . . ?
C3 C4 C5 C6 0.3(12) . . . . ?
C4 C5 C6 Hg2 -173.6(6) . . . . ?
C4 C5 C6 C1 2.9(12) . . . . ?
C6 C1 C2 F1 -178.6(7) . . . . ?
C6 C1 C2 C3 0.5(12) . . . . ?
C7 C8 C9 F6 -179.7(7) . . . . ?
C7 C8 C9 C10 0.0(12) . . . . ?
C8 C7 C12 Hg3 -179.6(6) . . . . ?
C8 C7 C12 C11 -1.1(11) . . . . ?
C8 C9 C10 F7 -178.9(7) . . . . ?
C8 C9 C10 C11 -0.5(12) . . . . ?
C9 C10 C11 F8 -179.7(7) . . . . ?
C9 C10 C11 C12 0.2(13) . . . . ?
C10 C11 C12 Hg3 179.1(6) . . . . ?
C10 C11 C12 C7 0.6(12) . . . . ?
C12 C7 C8 F5 179.7(7) . . . . ?
C12 C7 C8 C9 0.8(12) . . . . ?
C13 C14 C15 F10 -177.8(7) . . . . ?
C13 C14 C15 C16 -1.2(12) . . . . ?
C14 C13 C18 Hg1 -179.4(6) . . . . ?
C14 C13 C18 C17 1.2(11) . . . . ?
C14 C15 C16 F11 -177.6(7) . . . . ?
C14 C15 C16 C17 2.6(11) . . . . ?
C15 C16 C17 F12 179.2(7) . . . . ?
C15 C16 C17 C18 -2.2(12) . . . . ?
C16 C17 C18 Hg1 -179.2(6) . . . . ?
C16 C17 C18 C13 0.2(12) . . . . ?
C18 C13 C14 F9 179.7(7) . . . . ?
C18 C13 C14 C15 -0.7(12) . . . . ?
C19 C20 C21 O2 -4.2(14) . . . . ?
C19 C20 C21 C26 171.1(8) . . . . ?
C20 C19 C22 C23 2.2(11) . . . . ?
C20 C19 C22 C24 -118.7(8) . . . . ?
C20 C19 C22 C25 123.1(8) . . . . ?
C20 C21 C26 C27 46.5(10) . . . . ?
C20 C21 C26 C28 169.1(7) . . . . ?
C20 C21 C26 C29 -72.7(9) . . . . ?
C22 C19 C20 C21 -177.3(8) . . . . ?
C30 N1 C34 C33 -1.1(11) . . . . ?
C30 N1 C34 C35 178.1(7) . . . . ?
C30 C31 C32 C33 0.1(12) . . . . ?
C31 C30 C1A Pt1 176.1(6) . . . . ?
C31 C30 C1A C34 0.1(12) . . . . ?
C31 C32 C33 C34 -1.1(12) . . . . ?
C31 C32 C33 F15A 177.8(14) . . . . ?
C32 C33 C34 N1 1.6(12) . . . . ?
C32 C33 C34 C35 -177.4(8) . . . . ?
C32 C33 C34 C1A 1.6(12) . . . . ?
C33 C34 C35 C36 -1.7(14) . . . . ?
C33 C34 C35 C40 178.1(8) . . . . ?
C33 C34 C35 N40 178.1(8) . . . . ?
C33 C34 C1A Pt1 -177.4(6) . . . . ?
C33 C34 C1A C30 -1.1(11) . . . . ?
C34 N1 C30 C31 0.1(12) . . . . ?
C34 C35 C36 F13B -0.9(12) . . . . ?
C34 C35 C36 C37 179.7(8) . . . . ?
C34 C35 C40 Pt1 -0.3(9) . . . . ?
C34 C35 C40 C39 179.9(7) . . . . ?
C34 C35 N40 Pt1 -0.3(9) . . . . ?
C34 C35 N40 C39 179.9(7) . . . . ?
C35 C34 C1A Pt1 1.8(8) . . . . ?
C35 C34 C1A C30 178.1(7) . . . . ?
C35 C36 C37 C38 1.1(12) . . . . ?
C36 C35 C40 Pt1 179.5(6) . . . . ?
C36 C35 C40 C39 -0.3(11) . . . . ?
C36 C35 N40 Pt1 179.5(6) . . . . ?
C36 C35 N40 C39 -0.3(11) . . . . ?
C36 C37 C38 F14 179.0(7) . . . . ?
C36 C37 C38 C39 -1.8(12) . . . . ?
C37 C38 C39 C40 1.4(12) . . . . ?
C37 C38 C39 N40 1.4(12) . . . . ?
C38 C39 C40 Pt1 179.9(6) . . . . ?
C38 C39 C40 C35 -0.4(12) . . . . ?
C38 C39 N40 Pt1 179.9(6) . . . . ?
C38 C39 N40 C35 -0.4(12) . . . . ?
C40 C35 C36 C37 -0.2(12) . . . . ?
N40 C35 C36 C37 -0.2(12) . . . . ?
C1A C30 C31 C32 0.4(12) . . . . ?
C1A C34 C35 C36 179.2(8) . . . . ?
C1A C34 C35 N40 -1.0(10) . . . . ?
F15A C33 C34 C35 3.4(15) . . . . ?
F13 C31 C32 C33 176.2(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2Hg3
_database_code_depnum_ccdc_archive 'CCDC 2175142'
loop_
_audit_author_name
_audit_author_address
'Victor Khrustalev'
;Peoples Friendship University of Russia (RUDN University, Moscow)
Russia
;
_audit_update_record             
;
2022-05-26 deposited with the CCDC.	2022-11-18 downloaded from the CCDC.
;
_audit_creation_date             2021-11-08
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.10.07 svn.r9718050b for OlexSys, GUI svn.r6410)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C36 H19 F12 Hg3 N O2 Pt'
_chemical_formula_sum            'C36 H19 F12 Hg3 N O2 Pt'
_chemical_formula_weight         1522.38
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0040 0.0018 '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'
F F 0.0199 0.0115 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -2.9722 9.9715 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0074 0.0036 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0129 0.0068 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -2.0791 9.0762 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   24.923(5)
_cell_length_b                   6.6890(13)
_cell_length_c                   23.781(5)
_cell_angle_alpha                90
_cell_angle_beta                 106.25(3)
_cell_angle_gamma                90
_cell_volume                     3806.1(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    1000
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.0
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.842
_shelx_estimated_absorpt_T_min   0.224
_exptl_absorpt_coefficient_mu    17.783
_exptl_absorpt_correction_T_max  0.824
_exptl_absorpt_correction_T_min  0.212
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Scala (Evans, 2006)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.657
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2736
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_unetI/netI     0.0418
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            34034
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.924
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rayonix SX165 CCD'
_diffrn_measurement_method       '/f scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.745
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5101
_reflns_number_total             6426
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'iMosflm (Battye et al., 2011)'
_computing_data_collection       'Marccd (Doyle, 2011)'
_computing_data_reduction        iMosflm
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_refine_diff_density_max         2.603
_refine_diff_density_min         -1.288
_refine_diff_density_rms         0.185
_refine_ls_extinction_coef       0.00026(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     493
_refine_ls_number_reflns         6426
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0459
_refine_ls_R_factor_gt           0.0332
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0520P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0869
_refine_special_details          ?
_olex2_refinement_description    
;
1. Shared sites
{N1, C1A}
{C36, N36}
2. Uiso/Uaniso restraints and constraints
Uanis(N1) = Uanis(C1A)
Uanis(N36) = Uanis(N1)
Uanis(C36) = Uanis(N36)
3. Others
 Fixed Sof: N1(0.5) C36(0.5) C1A(0.5) N36(0.5)
4.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C24(H24A,H24B)
4.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C26(H26), C27(H27), C28(H28), C29(H29), C32(H32), C33(H33),
 C34(H34), C35(H35)
4.c Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C25(H25A,H25B,H25C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.82693(2) 0.48489(5) 0.63864(2) 0.02962(11) Uani 1 1 d . . . . .
Hg2 Hg 0.70311(2) 0.59230(6) 0.52232(2) 0.03334(12) Uani 1 1 d . . . . .
Hg3 Hg 0.69553(2) 0.59821(6) 0.67091(2) 0.03337(12) Uani 1 1 d . . . . .
Pt1 Pt 0.81289(2) 0.00252(5) 0.63556(2) 0.03150(11) Uani 1 1 d . . . . .
F1 F 0.9241(2) 0.3943(8) 0.5785(2) 0.0388(12) Uani 1 1 d . . . . .
F2 F 0.9270(3) 0.4043(9) 0.4655(3) 0.0491(15) Uani 1 1 d . . . . .
F3 F 0.8313(3) 0.4812(9) 0.3778(3) 0.0517(16) Uani 1 1 d . . . . .
F4 F 0.7355(3) 0.5636(9) 0.4043(2) 0.0465(14) Uani 1 1 d . . . . .
F5 F 0.5820(3) 0.6902(10) 0.4419(3) 0.0526(15) Uani 1 1 d . . . . .
F6 F 0.4843(2) 0.7741(9) 0.4645(3) 0.0523(16) Uani 1 1 d . . . . .
F7 F 0.4779(3) 0.7801(11) 0.5761(3) 0.0607(18) Uani 1 1 d . . . . .
F8 F 0.5695(3) 0.7030(11) 0.6667(3) 0.0571(16) Uani 1 1 d . . . . .
F9 F 0.7186(3) 0.5720(10) 0.8073(2) 0.0478(15) Uani 1 1 d . . . . .
F10 F 0.8108(3) 0.4888(10) 0.8953(2) 0.0495(15) Uani 1 1 d . . . . .
F11 F 0.9090(2) 0.4046(9) 0.8715(2) 0.0440(13) Uani 1 1 d . . . . .
F12 F 0.9151(2) 0.4018(8) 0.7601(2) 0.0378(12) Uani 1 1 d . . . . .
O1 O 0.8732(3) -0.0396(10) 0.7141(3) 0.0379(15) Uani 1 1 d . . . . .
O2 O 0.8698(3) -0.0367(9) 0.5897(3) 0.0357(15) Uani 1 1 d . . . . .
N1 N 0.7504(4) 0.0504(12) 0.5639(4) 0.0354(14) Uani 0.5 1 d . . P A 1
C1 C 0.8274(4) 0.4847(14) 0.5513(4) 0.034(2) Uani 1 1 d . . . . .
C2 C 0.8762(4) 0.4372(14) 0.5366(4) 0.037(2) Uani 1 1 d . . . . .
C3 C 0.8784(5) 0.4403(14) 0.4784(5) 0.040(2) Uani 1 1 d . . . . .
C4 C 0.8306(5) 0.4808(15) 0.4345(5) 0.043(2) Uani 1 1 d . . . . .
C5 C 0.7810(4) 0.5245(14) 0.4490(4) 0.035(2) Uani 1 1 d . . . . .
C6 C 0.7786(4) 0.5290(12) 0.5057(4) 0.032(2) Uani 1 1 d . . . . .
C7 C 0.6285(4) 0.6511(13) 0.5431(4) 0.033(2) Uani 1 1 d . . . . .
C8 C 0.5803(4) 0.6906(16) 0.4988(5) 0.041(2) Uani 1 1 d . . . . .
C9 C 0.5301(4) 0.7337(15) 0.5083(5) 0.043(2) Uani 1 1 d . . . . .
C10 C 0.5268(4) 0.7383(16) 0.5655(6) 0.049(3) Uani 1 1 d . . . . .
C11 C 0.5744(4) 0.6990(16) 0.6104(4) 0.037(2) Uani 1 1 d . . . . .
C12 C 0.6253(4) 0.6526(14) 0.6009(5) 0.036(2) Uani 1 1 d . . . . .
C13 C 0.7682(4) 0.5382(13) 0.7368(4) 0.033(2) Uani 1 1 d . . . . .
C14 C 0.7675(4) 0.5336(14) 0.7939(4) 0.036(2) Uani 1 1 d . . . . .
C15 C 0.8137(4) 0.4897(16) 0.8399(4) 0.039(2) Uani 1 1 d . . . . .
C16 C 0.8632(4) 0.4446(14) 0.8281(4) 0.036(2) Uani 1 1 d . . . . .
C17 C 0.8653(4) 0.4466(14) 0.7699(4) 0.032(2) Uani 1 1 d . . . . .
C18 C 0.8192(4) 0.4900(13) 0.7240(4) 0.0299(19) Uani 1 1 d . . . . .
C19 C 0.9354(5) -0.0826(17) 0.8292(5) 0.048(3) Uani 1 1 d . . . . .
H19A H 0.923747 0.057540 0.828337 0.072 Uiso 1 1 calc R U . . .
H19B H 0.962857 -0.111224 0.866767 0.072 Uiso 1 1 calc R U . . .
H19C H 0.902762 -0.169470 0.824562 0.072 Uiso 1 1 calc R U . . .
C20 C 0.9614(4) -0.1210(15) 0.7796(5) 0.041(2) Uani 1 1 d . . . . .
H20A H 0.974989 -0.260783 0.782781 0.049 Uiso 1 1 calc R U . . .
H20B H 0.994440 -0.032959 0.785357 0.049 Uiso 1 1 calc R U . . .
C21 C 0.9236(4) -0.0886(14) 0.7175(5) 0.038(2) Uani 1 1 d . . . . .
C22 C 0.9455(4) -0.1190(15) 0.6720(4) 0.040(2) Uani 1 1 d . . . . .
H22 H 0.982532 -0.170381 0.681927 0.048 Uiso 1 1 calc R U . . .
C23 C 0.9205(4) -0.0841(15) 0.6121(4) 0.038(2) Uani 1 1 d . . . . .
C24 C 0.9552(4) -0.1179(15) 0.5695(4) 0.037(2) Uani 1 1 d . . . . .
H24A H 0.987899 -0.027372 0.580341 0.045 Uiso 1 1 calc R U . . .
H24B H 0.969503 -0.256790 0.574346 0.045 Uiso 1 1 calc R U . . .
C25 C 0.9250(5) -0.0851(16) 0.5062(5) 0.044(2) Uani 1 1 d . . . . .
H25A H 0.949114 -0.125295 0.481911 0.066 Uiso 1 1 calc R U . . .
H25B H 0.915413 0.056662 0.499585 0.066 Uiso 1 1 calc R U . . .
H25C H 0.890731 -0.165394 0.495622 0.066 Uiso 1 1 calc R U . . .
C26 C 0.7546(4) 0.0403(13) 0.5073(5) 0.037(2) Uani 1 1 d . . . . .
H26 H 0.789434 0.009178 0.500492 0.045 Uiso 1 1 calc R U . A 1
C27 C 0.7071(4) 0.0763(14) 0.4594(5) 0.040(2) Uani 1 1 d . . . . .
H27 H 0.709867 0.065170 0.420501 0.048 Uiso 1 1 calc R U . . .
C28 C 0.6570(5) 0.1273(15) 0.4692(5) 0.048(3) Uani 1 1 d . . . . .
H28 H 0.625235 0.154540 0.437116 0.058 Uiso 1 1 calc R U . . .
C29 C 0.6530(4) 0.1387(14) 0.5258(6) 0.045(3) Uani 1 1 d . . . . .
H29 H 0.618395 0.172579 0.532718 0.054 Uiso 1 1 calc R U . . .
C30 C 0.7000(4) 0.1003(15) 0.5735(5) 0.040(2) Uani 1 1 d . . . . .
C31 C 0.7006(4) 0.0994(13) 0.6354(5) 0.035(2) Uani 1 1 d . . . . .
C32 C 0.6545(5) 0.1364(16) 0.6582(6) 0.054(3) Uani 1 1 d . . . . .
H32 H 0.619098 0.170824 0.632552 0.065 Uiso 1 1 calc R U . . .
C33 C 0.6615(5) 0.1221(15) 0.7182(6) 0.050(3) Uani 1 1 d . . . . .
H33 H 0.630820 0.145176 0.733663 0.060 Uiso 1 1 calc R U . . .
C34 C 0.7130(5) 0.0744(16) 0.7548(6) 0.052(3) Uani 1 1 d . . . . .
H34 H 0.718208 0.067188 0.795843 0.063 Uiso 1 1 calc R U . . .
C35 C 0.7575(5) 0.0367(13) 0.7318(4) 0.037(2) Uani 1 1 d . . . . .
H35 H 0.792581 -0.000137 0.757667 0.044 Uiso 1 1 calc R U . A 1
C36 C 0.7524(4) 0.0509(12) 0.6740(4) 0.0354(14) Uani 0.5 1 d . . P A 1
C1A C 0.7504(4) 0.0504(12) 0.5639(4) 0.0354(14) Uani 0.5 1 d . . P A 2
N36 N 0.7524(4) 0.0509(12) 0.6740(4) 0.0354(14) Uani 0.5 1 d . . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Hg1 Pt1 3.2441(8) . ?
Hg1 C1 2.079(9) . ?
Hg1 C18 2.092(9) . ?
Hg2 C6 2.072(9) . ?
Hg2 C7 2.091(9) . ?
Hg3 C12 2.082(10) . ?
Hg3 C13 2.075(10) . ?
Pt1 O1 2.064(7) . ?
Pt1 O2 2.033(7) . ?
Pt1 N1 1.987(10) . ?
Pt1 C36 1.996(9) . ?
Pt1 C1A 1.987(10) . ?
Pt1 N36 1.996(9) . ?
F1 C2 1.354(12) . ?
F2 C3 1.350(12) . ?
F3 C4 1.354(11) . ?
F4 C5 1.346(11) . ?
F5 C8 1.366(12) . ?
F6 C9 1.340(12) . ?
F7 C10 1.341(12) . ?
F8 C11 1.377(12) . ?
F9 C14 1.368(11) . ?
F10 C15 1.340(10) . ?
F11 C16 1.333(11) . ?
F12 C17 1.358(10) . ?
O1 C21 1.279(12) . ?
O2 C23 1.269(12) . ?
N1 C26 1.379(14) . ?
N1 C30 1.379(13) . ?
C1 C2 1.393(14) . ?
C1 C6 1.415(14) . ?
C2 C3 1.401(14) . ?
C3 C4 1.374(16) . ?
C4 C5 1.404(14) . ?
C5 C6 1.367(13) . ?
C7 C8 1.384(14) . ?
C7 C12 1.398(14) . ?
C8 C9 1.362(15) . ?
C9 C10 1.386(17) . ?
C10 C11 1.382(15) . ?
C11 C12 1.386(14) . ?
C13 C14 1.364(13) . ?
C13 C18 1.425(13) . ?
C14 C15 1.381(14) . ?
C15 C16 1.373(14) . ?
C16 C17 1.399(13) . ?
C17 C18 1.377(13) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C19 C20 1.518(13) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.530(15) . ?
C21 C22 1.356(14) . ?
C22 H22 0.9500 . ?
C22 C23 1.405(14) . ?
C23 C24 1.520(13) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 C25 1.500(14) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26 0.9500 . ?
C26 C27 1.414(14) . ?
C26 C1A 1.379(14) . ?
C27 H27 0.9500 . ?
C27 C28 1.377(15) . ?
C28 H28 0.9500 . ?
C28 C29 1.380(17) . ?
C29 H29 0.9500 . ?
C29 C30 1.406(15) . ?
C30 C31 1.468(15) . ?
C30 C1A 1.379(13) . ?
C31 C32 1.422(14) . ?
C31 C36 1.398(13) . ?
C31 N36 1.398(13) . ?
C32 H32 0.9500 . ?
C32 C33 1.391(18) . ?
C33 H33 0.9500 . ?
C33 C34 1.371(18) . ?
C34 H34 0.9500 . ?
C34 C35 1.390(15) . ?
C35 H35 0.9500 . ?
C35 C36 1.348(13) . ?
C35 N36 1.348(13) . ?

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
C1 Hg1 Pt1 90.4(3) . . ?
C1 Hg1 C18 175.2(4) . . ?
C18 Hg1 Pt1 90.0(2) . . ?
C6 Hg2 C7 177.3(4) . . ?
C13 Hg3 C12 176.2(4) . . ?
O1 Pt1 Hg1 93.93(18) . . ?
O2 Pt1 Hg1 93.06(18) . . ?
O2 Pt1 O1 91.6(3) . . ?
N1 Pt1 Hg1 85.0(2) . . ?
N1 Pt1 O1 175.1(3) . . ?
N1 Pt1 O2 93.2(3) . . ?
N1 Pt1 C36 81.7(4) . . ?
C36 Pt1 Hg1 85.4(2) . . ?
C36 Pt1 O1 93.4(3) . . ?
C36 Pt1 O2 174.9(3) . . ?
C1A Pt1 Hg1 85.0(2) . . ?
C1A Pt1 O1 175.1(3) . . ?
C1A Pt1 O2 93.2(3) . . ?
C1A Pt1 N36 81.7(4) . . ?
N36 Pt1 Hg1 85.4(2) . . ?
N36 Pt1 O1 93.4(3) . . ?
N36 Pt1 O2 174.9(3) . . ?
C21 O1 Pt1 123.0(6) . . ?
C23 O2 Pt1 124.7(6) . . ?
C26 N1 Pt1 125.0(7) . . ?
C30 N1 Pt1 115.3(7) . . ?
C30 N1 C26 119.6(9) . . ?
C2 C1 Hg1 120.0(7) . . ?
C2 C1 C6 118.5(8) . . ?
C6 C1 Hg1 121.5(7) . . ?
F1 C2 C1 121.0(8) . . ?
F1 C2 C3 117.3(9) . . ?
C1 C2 C3 121.7(10) . . ?
F2 C3 C2 120.6(10) . . ?
F2 C3 C4 120.3(8) . . ?
C4 C3 C2 119.1(9) . . ?
F3 C4 C3 120.4(9) . . ?
F3 C4 C5 120.2(10) . . ?
C3 C4 C5 119.4(9) . . ?
F4 C5 C4 116.8(8) . . ?
F4 C5 C6 121.1(9) . . ?
C6 C5 C4 122.1(9) . . ?
C1 C6 Hg2 121.8(7) . . ?
C5 C6 Hg2 119.0(7) . . ?
C5 C6 C1 119.1(9) . . ?
C8 C7 Hg2 119.7(7) . . ?
C8 C7 C12 118.1(9) . . ?
C12 C7 Hg2 122.1(7) . . ?
F5 C8 C7 119.5(9) . . ?
C9 C8 F5 116.7(9) . . ?
C9 C8 C7 123.8(10) . . ?
F6 C9 C8 122.4(10) . . ?
F6 C9 C10 119.1(10) . . ?
C8 C9 C10 118.5(9) . . ?
F7 C10 C9 119.8(10) . . ?
F7 C10 C11 121.5(11) . . ?
C11 C10 C9 118.7(10) . . ?
F8 C11 C10 117.2(9) . . ?
F8 C11 C12 119.8(9) . . ?
C10 C11 C12 122.9(10) . . ?
C7 C12 Hg3 121.3(7) . . ?
C11 C12 Hg3 120.8(8) . . ?
C11 C12 C7 117.9(9) . . ?
C14 C13 Hg3 120.3(7) . . ?
C14 C13 C18 117.9(9) . . ?
C18 C13 Hg3 121.7(6) . . ?
F9 C14 C15 117.1(9) . . ?
C13 C14 F9 119.3(9) . . ?
C13 C14 C15 123.6(9) . . ?
F10 C15 C14 121.1(9) . . ?
F10 C15 C16 119.9(9) . . ?
C16 C15 C14 119.0(9) . . ?
F11 C16 C15 120.7(9) . . ?
F11 C16 C17 120.4(9) . . ?
C15 C16 C17 118.9(9) . . ?
F12 C17 C16 117.2(8) . . ?
F12 C17 C18 120.5(8) . . ?
C18 C17 C16 122.2(9) . . ?
C13 C18 Hg1 122.7(7) . . ?
C17 C18 Hg1 119.0(7) . . ?
C17 C18 C13 118.4(8) . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C20 C19 H19A 109.5 . . ?
C20 C19 H19B 109.5 . . ?
C20 C19 H19C 109.5 . . ?
C19 C20 H20A 108.2 . . ?
C19 C20 H20B 108.2 . . ?
C19 C20 C21 116.4(9) . . ?
H20A C20 H20B 107.3 . . ?
C21 C20 H20A 108.2 . . ?
C21 C20 H20B 108.2 . . ?
O1 C21 C20 115.1(8) . . ?
O1 C21 C22 126.6(10) . . ?
C22 C21 C20 118.2(9) . . ?
C21 C22 H22 115.8 . . ?
C21 C22 C23 128.3(10) . . ?
C23 C22 H22 115.8 . . ?
O2 C23 C22 125.1(9) . . ?
O2 C23 C24 116.3(9) . . ?
C22 C23 C24 118.5(9) . . ?
C23 C24 H24A 108.4 . . ?
C23 C24 H24B 108.4 . . ?
H24A C24 H24B 107.5 . . ?
C25 C24 C23 115.4(9) . . ?
C25 C24 H24A 108.4 . . ?
C25 C24 H24B 108.4 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26 119.9 . . ?
N1 C26 C27 120.2(9) . . ?
C27 C26 H26 119.9 . . ?
C1A C26 C27 120.2(9) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 C26 120.1(10) . . ?
C28 C27 H27 120.0 . . ?
C27 C28 H28 120.2 . . ?
C27 C28 C29 119.6(10) . . ?
C29 C28 H28 120.2 . . ?
C28 C29 H29 119.8 . . ?
C28 C29 C30 120.4(10) . . ?
C30 C29 H29 119.8 . . ?
N1 C30 C29 120.2(10) . . ?
N1 C30 C31 114.3(9) . . ?
C29 C30 C31 125.5(9) . . ?
C1A C30 C29 120.2(10) . . ?
C1A C30 C31 114.3(9) . . ?
C32 C31 C30 126.8(10) . . ?
C36 C31 C30 114.1(8) . . ?
C36 C31 C32 119.1(10) . . ?
N36 C31 C30 114.1(8) . . ?
N36 C31 C32 119.1(10) . . ?
C31 C32 H32 120.1 . . ?
C33 C32 C31 119.7(11) . . ?
C33 C32 H32 120.1 . . ?
C32 C33 H33 120.2 . . ?
C34 C33 C32 119.6(10) . . ?
C34 C33 H33 120.2 . . ?
C33 C34 H34 120.0 . . ?
C33 C34 C35 120.1(11) . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 119.0 . . ?
C36 C35 C34 122.0(11) . . ?
C36 C35 H35 119.0 . . ?
N36 C35 C34 122.0(11) . . ?
C31 C36 Pt1 114.4(7) . . ?
C35 C36 Pt1 126.1(8) . . ?
C35 C36 C31 119.5(9) . . ?
C26 C1A Pt1 125.0(7) . . ?
C30 C1A Pt1 115.3(7) . . ?
C30 C1A C26 119.6(9) . . ?
C31 N36 Pt1 114.4(7) . . ?
C35 N36 Pt1 126.1(8) . . ?
C35 N36 C31 119.5(9) . . ?

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
Hg1 C1 C2 F1 -1.3(12) . . . . ?
Hg1 C1 C2 C3 -178.4(7) . . . . ?
Hg1 C1 C6 Hg2 -1.1(10) . . . . ?
Hg1 C1 C6 C5 -179.2(7) . . . . ?
Hg2 C7 C8 F5 0.2(13) . . . . ?
Hg2 C7 C8 C9 -178.9(8) . . . . ?
Hg2 C7 C12 Hg3 0.5(11) . . . . ?
Hg2 C7 C12 C11 178.1(7) . . . . ?
Hg3 C13 C14 F9 -1.0(12) . . . . ?
Hg3 C13 C14 C15 178.2(8) . . . . ?
Hg3 C13 C18 Hg1 2.3(10) . . . . ?
Hg3 C13 C18 C17 -178.2(7) . . . . ?
Pt1 O1 C21 C20 -177.6(6) . . . . ?
Pt1 O1 C21 C22 0.5(14) . . . . ?
Pt1 O2 C23 C22 0.6(14) . . . . ?
Pt1 O2 C23 C24 176.5(6) . . . . ?
Pt1 N1 C26 C27 179.6(7) . . . . ?
Pt1 N1 C30 C29 179.6(7) . . . . ?
Pt1 N1 C30 C31 -3.0(11) . . . . ?
F1 C2 C3 F2 -0.9(13) . . . . ?
F1 C2 C3 C4 179.2(9) . . . . ?
F2 C3 C4 F3 1.3(15) . . . . ?
F2 C3 C4 C5 -177.8(9) . . . . ?
F3 C4 C5 F4 0.7(14) . . . . ?
F3 C4 C5 C6 -178.9(8) . . . . ?
F4 C5 C6 Hg2 1.1(12) . . . . ?
F4 C5 C6 C1 179.3(8) . . . . ?
F5 C8 C9 F6 0.0(15) . . . . ?
F5 C8 C9 C10 -179.1(9) . . . . ?
F6 C9 C10 F7 1.0(15) . . . . ?
F6 C9 C10 C11 -179.2(10) . . . . ?
F7 C10 C11 F8 0.4(15) . . . . ?
F7 C10 C11 C12 179.0(10) . . . . ?
F8 C11 C12 Hg3 -2.1(13) . . . . ?
F8 C11 C12 C7 -179.7(8) . . . . ?
F9 C14 C15 F10 -1.3(15) . . . . ?
F9 C14 C15 C16 178.2(9) . . . . ?
F10 C15 C16 F11 -1.6(15) . . . . ?
F10 C15 C16 C17 -179.9(9) . . . . ?
F11 C16 C17 F12 1.5(13) . . . . ?
F11 C16 C17 C18 -179.1(8) . . . . ?
F12 C17 C18 Hg1 0.2(12) . . . . ?
F12 C17 C18 C13 -179.3(8) . . . . ?
O1 C21 C22 C23 7.3(18) . . . . ?
O2 C23 C24 C25 1.6(13) . . . . ?
N1 C26 C27 C28 1.9(14) . . . . ?
N1 C30 C31 C32 -177.2(9) . . . . ?
N1 C30 C31 C36 0.9(12) . . . . ?
C1 C2 C3 F2 176.4(9) . . . . ?
C1 C2 C3 C4 -3.5(15) . . . . ?
C2 C1 C6 Hg2 177.9(7) . . . . ?
C2 C1 C6 C5 -0.2(13) . . . . ?
C2 C3 C4 F3 -178.8(9) . . . . ?
C2 C3 C4 C5 2.1(15) . . . . ?
C3 C4 C5 F4 179.8(9) . . . . ?
C3 C4 C5 C6 0.2(15) . . . . ?
C4 C5 C6 Hg2 -179.4(7) . . . . ?
C4 C5 C6 C1 -1.2(14) . . . . ?
C6 C1 C2 F1 179.7(8) . . . . ?
C6 C1 C2 C3 2.6(14) . . . . ?
C7 C8 C9 F6 179.0(9) . . . . ?
C7 C8 C9 C10 -0.1(16) . . . . ?
C8 C7 C12 Hg3 -179.3(7) . . . . ?
C8 C7 C12 C11 -1.7(14) . . . . ?
C8 C9 C10 F7 -179.9(10) . . . . ?
C8 C9 C10 C11 0.0(16) . . . . ?
C9 C10 C11 F8 -179.4(10) . . . . ?
C9 C10 C11 C12 -0.8(16) . . . . ?
C10 C11 C12 Hg3 179.3(8) . . . . ?
C10 C11 C12 C7 1.7(15) . . . . ?
C12 C7 C8 F5 -180.0(8) . . . . ?
C12 C7 C8 C9 1.0(15) . . . . ?
C13 C14 C15 F10 179.4(9) . . . . ?
C13 C14 C15 C16 -1.1(16) . . . . ?
C14 C13 C18 Hg1 178.8(7) . . . . ?
C14 C13 C18 C17 -1.7(13) . . . . ?
C14 C15 C16 F11 178.9(9) . . . . ?
C14 C15 C16 C17 0.6(15) . . . . ?
C15 C16 C17 F12 179.9(9) . . . . ?
C15 C16 C17 C18 -0.8(14) . . . . ?
C16 C17 C18 Hg1 -179.2(7) . . . . ?
C16 C17 C18 C13 1.3(13) . . . . ?
C18 C13 C14 F9 -177.6(8) . . . . ?
C18 C13 C14 C15 1.7(15) . . . . ?
C19 C20 C21 O1 -2.5(13) . . . . ?
C19 C20 C21 C22 179.2(10) . . . . ?
C20 C21 C22 C23 -174.6(10) . . . . ?
C21 C22 C23 O2 -8.0(18) . . . . ?
C21 C22 C23 C24 176.2(10) . . . . ?
C22 C23 C24 C25 177.8(9) . . . . ?
C26 N1 C30 C29 0.6(14) . . . . ?
C26 N1 C30 C31 178.1(8) . . . . ?
C26 C27 C28 C29 -1.5(15) . . . . ?
C27 C26 C1A Pt1 179.6(7) . . . . ?
C27 C26 C1A C30 -1.5(13) . . . . ?
C27 C28 C29 C30 0.6(14) . . . . ?
C28 C29 C30 N1 -0.2(14) . . . . ?
C28 C29 C30 C31 -177.3(9) . . . . ?
C28 C29 C30 C1A -0.2(14) . . . . ?
C29 C30 C31 C32 0.1(16) . . . . ?
C29 C30 C31 C36 178.1(9) . . . . ?
C29 C30 C31 N36 178.1(9) . . . . ?
C29 C30 C1A Pt1 179.6(7) . . . . ?
C29 C30 C1A C26 0.6(14) . . . . ?
C30 N1 C26 C27 -1.5(13) . . . . ?
C30 C31 C32 C33 177.4(9) . . . . ?
C30 C31 C36 Pt1 1.6(10) . . . . ?
C30 C31 C36 C35 -177.1(8) . . . . ?
C30 C31 N36 Pt1 1.6(10) . . . . ?
C30 C31 N36 C35 -177.1(8) . . . . ?
C31 C30 C1A Pt1 -3.0(11) . . . . ?
C31 C30 C1A C26 178.1(8) . . . . ?
C31 C32 C33 C34 0.7(15) . . . . ?
C32 C31 C36 Pt1 179.9(7) . . . . ?
C32 C31 C36 C35 1.1(13) . . . . ?
C32 C31 N36 Pt1 179.9(7) . . . . ?
C32 C31 N36 C35 1.1(13) . . . . ?
C32 C33 C34 C35 -1.3(15) . . . . ?
C33 C34 C35 C36 1.9(15) . . . . ?
C33 C34 C35 N36 1.9(15) . . . . ?
C34 C35 C36 Pt1 179.6(7) . . . . ?
C34 C35 C36 C31 -1.8(14) . . . . ?
C34 C35 N36 Pt1 179.6(7) . . . . ?
C34 C35 N36 C31 -1.8(14) . . . . ?
C36 C31 C32 C33 -0.6(14) . . . . ?
C1A C26 C27 C28 1.9(14) . . . . ?
C1A C30 C31 C32 -177.2(9) . . . . ?
C1A C30 C31 N36 0.9(12) . . . . ?
N36 C31 C32 C33 -0.6(14) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.500 -0.439 0.750 268.1 76.9 ?
2 0.500 -0.044 0.250 268.1 77.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
