# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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. 
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data_08301_0m_5
_database_code_depnum_ccdc_archive 'CCDC 1965376'
loop_
_audit_author_name
_audit_author_address
'zhaoran hao'
;xiangtan university
China
;
_audit_update_record             
;
2019-11-13 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_audit_creation_date             2019-08-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H46 F2 N2 O4 Pt2'
_chemical_formula_sum            'C38 H46 F2 N2 O4 Pt2'
_chemical_formula_weight         1022.95
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.9163(8)
_cell_length_b                   12.1628(11)
_cell_length_c                   14.3254(11)
_cell_angle_alpha                81.776(3)
_cell_angle_beta                 78.831(2)
_cell_angle_gamma                89.496(3)
_cell_volume                     1846.5(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2836
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.381
_cell_measurement_theta_min      2.392
_shelx_estimated_absorpt_T_max   0.618
_shelx_estimated_absorpt_T_min   0.341
_exptl_absorpt_coefficient_mu    7.619
_exptl_absorpt_correction_T_max  0.745375
_exptl_absorpt_correction_T_min  0.311700
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
 TWINABS-2012/1 (Bruker,2012) was used for absorption correction.

Final HKLF 4 output contains 22291 reflections, Rint = 0.0815
 (12872 with I > 3sig(I), Rint = 0.0718)
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.840
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             988
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.0793
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.974
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7133
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.974
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.417
_diffrn_reflns_theta_min         2.392
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6121
_reflns_number_total             7133
_reflns_special_details          
;
 _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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.638
_refine_diff_density_min         -2.927
_refine_diff_density_rms         0.279
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     445
_refine_ls_number_reflns         7133
_refine_ls_number_restraints     430
_refine_ls_R_factor_all          0.0690
_refine_ls_R_factor_gt           0.0549
_refine_ls_restrained_S_all      1.034
_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)+36.3207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1329
_refine_special_details          
;
 Refined as a 2-component perfect twin.
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C30) \\sim Ueq, Uanis(C38) \\sim Ueq: with sigma of 0.001 and sigma for
terminal atoms of 0.002
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4.a Aromatic/amide H refined with riding coordinates:
 C19(H19), C33(H33), C26(H26), C22(H22), C25(H25), C27(H27), C13(H13),
 C24(H24), C6(H6), C15(H15)
4.b Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C3(H3A,H3B,H3C), C31(H31A,H31B,H31C), C30(H30A,H30B,
 H30C), C36(H36A,H36B,H36C), C29(H29A,H29B,H29C), C10(H10A,H10B,H10C), C37(H37A,
 H37B,H37C), C1(H1A,H1B,H1C), C2(H2A,H2B,H2C), C11(H11A,H11B,H11C), C9(H9A,H9B,
 H9C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt2 Pt 0.40973(3) 0.30140(3) 1.02110(3) 0.02691(8) Uani 1 1 d . U . . .
Pt1 Pt 0.89578(3) 0.54383(3) 0.69791(3) 0.02895(8) Uani 1 1 d . U . . .
O1 O 1.0471(6) 0.6061(5) 0.6043(5) 0.0362(16) Uani 1 1 d . U . . .
F1 F 0.8984(5) 0.2053(5) 0.9671(4) 0.0436(15) Uani 1 1 d . U . . .
F2 F 1.2885(5) 0.3075(5) 0.7764(4) 0.0488(17) Uani 1 1 d . U . . .
O3 O 0.2414(5) 0.2386(5) 1.1022(4) 0.0306(15) Uani 1 1 d . U . . .
O2 O 0.7827(6) 0.6548(5) 0.6300(5) 0.0312(15) Uani 1 1 d . U . . .
C32 C 0.4563(8) 0.0939(7) 1.1422(6) 0.0264(18) Uani 1 1 d . U . . .
N2 N 0.3316(6) 0.4302(6) 0.9527(5) 0.0272(17) Uani 1 1 d . U . . .
O4 O 0.5045(5) 0.1804(5) 1.0823(5) 0.0335(15) Uani 1 1 d . U . . .
C35 C 0.0979(8) 0.1069(7) 1.2031(7) 0.0337(18) Uani 1 1 d . U . . .
C19 C 0.6792(7) 0.3290(7) 0.9262(7) 0.028(2) Uani 1 1 d . U . . .
H19 H 0.695607 0.264463 0.967364 0.034 Uiso 1 1 calc R . . . .
C7 C 0.8218(8) 0.7133(8) 0.5493(7) 0.0303(18) Uani 1 1 d . U . . .
C23 C 0.4090(7) 0.4965(6) 0.8787(7) 0.0269(18) Uani 1 1 d . U . . .
C21 C 0.5405(8) 0.4595(7) 0.8705(7) 0.0272(18) Uani 1 1 d . U . . .
C33 C 0.3315(8) 0.0795(7) 1.1757(6) 0.030(2) Uani 1 1 d . U . . .
H33 H 0.309136 0.012538 1.218530 0.036 Uiso 1 1 calc R . . . .
C17 C 0.9097(8) 0.3591(8) 0.8430(7) 0.0316(19) Uani 1 1 d . U . . .
C38 C 0.0812(8) 0.0776(7) 1.3151(6) 0.0288(10) Uani 1 1 d . U . . .
H38A H 0.156656 0.041735 1.331310 0.043 Uiso 1 1 calc GR . . . .
H38B H 0.009259 0.026872 1.339545 0.043 Uiso 1 1 calc GR . . . .
H38C H 0.067399 0.145767 1.344416 0.043 Uiso 1 1 calc GR . . . .
N1 N 0.7540(6) 0.4730(6) 0.7942(5) 0.0276(16) Uani 1 1 d . U . . .
C3 C 1.1875(10) 0.7532(9) 0.3708(7) 0.049(3) Uani 1 1 d . U . . .
H3A H 1.137590 0.705460 0.342272 0.074 Uiso 1 1 calc GR . . . .
H3B H 1.274431 0.755456 0.336413 0.074 Uiso 1 1 calc GR . . . .
H3C H 1.154247 0.828440 0.366055 0.074 Uiso 1 1 calc GR . . . .
C5 C 1.0492(9) 0.6759(8) 0.5300(7) 0.0315(19) Uani 1 1 d . U . . .
C18 C 0.7785(8) 0.3849(7) 0.8568(6) 0.0267(18) Uani 1 1 d . U . . .
C26 C 0.1615(8) 0.5467(8) 0.9258(7) 0.037(2) Uani 1 1 d . U . . .
H26 H 0.076304 0.565793 0.942822 0.045 Uiso 1 1 calc R . . . .
C22 C 0.6326(8) 0.5089(7) 0.8017(7) 0.029(2) Uani 1 1 d . U . . .
H22 H 0.613952 0.569561 0.757328 0.035 Uiso 1 1 calc R . . . .
C4 C 1.1816(9) 0.7077(8) 0.4740(8) 0.0387(19) Uani 1 1 d . U . . .
C25 C 0.2379(9) 0.6085(8) 0.8523(8) 0.040(2) Uani 1 1 d . U . . .
H25 H 0.204264 0.669381 0.816806 0.047 Uiso 1 1 calc R . . . .
C27 C 0.2082(8) 0.4536(7) 0.9773(6) 0.0247(18) Uani 1 1 d . U . . .
H27 H 0.154849 0.408024 1.028112 0.030 Uiso 1 1 calc R . . . .
C31 C 0.4988(10) -0.0853(8) 1.2423(9) 0.054(3) Uani 1 1 d . U . . .
H31A H 0.447987 -0.060829 1.299570 0.080 Uiso 1 1 calc GR . . . .
H31B H 0.566043 -0.132188 1.260999 0.080 Uiso 1 1 calc GR . . . .
H31C H 0.446303 -0.127914 1.211513 0.080 Uiso 1 1 calc GR . . . .
C34 C 0.2303(8) 0.1445(7) 1.1590(6) 0.0281(18) Uani 1 1 d . U . . .
C13 C 1.1142(8) 0.4081(8) 0.7431(7) 0.035(2) Uani 1 1 d . U . . .
H13 H 1.165971 0.452470 0.690544 0.043 Uiso 1 1 calc R . . . .
C30 C 0.6304(9) -0.0251(9) 1.0814(7) 0.0422(11) Uani 1 1 d . U . . .
H30A H 0.574675 -0.034466 1.036915 0.063 Uiso 1 1 calc GR . . . .
H30B H 0.667757 -0.096508 1.099834 0.063 Uiso 1 1 calc GR . . . .
H30C H 0.696601 0.029284 1.049799 0.063 Uiso 1 1 calc GR . . . .
C12 C 0.9881(8) 0.4278(7) 0.7666(6) 0.0255(18) Uani 1 1 d . U . . .
C24 C 0.3637(8) 0.5865(7) 0.8267(7) 0.031(2) Uani 1 1 d . U . . .
H24 H 0.416654 0.631663 0.775282 0.037 Uiso 1 1 calc R . . . .
C6 C 0.9467(8) 0.7253(8) 0.5009(7) 0.034(2) Uani 1 1 d . U . . .
H6 H 0.962096 0.773178 0.441184 0.041 Uiso 1 1 calc R . . . .
C28 C 0.5553(8) 0.0163(7) 1.1717(7) 0.0306(18) Uani 1 1 d . U . . .
C36 C 0.0056(8) 0.1979(8) 1.1812(8) 0.043(3) Uani 1 1 d . U . . .
H36A H -0.079356 0.166130 1.196217 0.064 Uiso 1 1 calc GR . . . .
H36B H 0.026443 0.228965 1.112980 0.064 Uiso 1 1 calc GR . . . .
H36C H 0.010572 0.256773 1.220492 0.064 Uiso 1 1 calc GR . . . .
C16 C 0.9672(9) 0.2727(8) 0.8944(7) 0.037(2) Uani 1 1 d . U . . .
C14 C 1.1628(8) 0.3234(8) 0.7970(7) 0.033(2) Uani 1 1 d . U . . .
C29 C 0.6426(9) 0.0802(8) 1.2163(8) 0.042(2) Uani 1 1 d . U . . .
H29A H 0.671839 0.148688 1.172980 0.063 Uiso 1 1 calc GR . . . .
H29B H 0.714310 0.034313 1.226598 0.063 Uiso 1 1 calc GR . . . .
H29C H 0.597816 0.098859 1.278017 0.063 Uiso 1 1 calc GR . . . .
C10 C 0.6400(10) 0.6900(10) 0.4785(9) 0.057(3) Uani 1 1 d . U . . .
H10A H 0.690105 0.653985 0.427408 0.085 Uiso 1 1 calc GR . . . .
H10B H 0.568384 0.725685 0.455526 0.085 Uiso 1 1 calc GR . . . .
H10C H 0.610117 0.634269 0.534712 0.085 Uiso 1 1 calc GR . . . .
C37 C 0.0675(10) 0.0012(8) 1.1598(8) 0.050(2) Uani 1 1 d . U . . .
H37A H 0.119843 -0.060130 1.179851 0.074 Uiso 1 1 calc GR . . . .
H37B H 0.084332 0.017762 1.089474 0.074 Uiso 1 1 calc GR . . . .
H37C H -0.020736 -0.020021 1.183050 0.074 Uiso 1 1 calc GR . . . .
C1 C 1.2666(10) 0.6066(10) 0.4801(10) 0.066(4) Uani 1 1 d . U . . .
H1A H 1.237880 0.549555 0.447084 0.098 Uiso 1 1 calc GR . . . .
H1B H 1.263705 0.576499 0.547757 0.098 Uiso 1 1 calc GR . . . .
H1C H 1.352611 0.629429 0.449471 0.098 Uiso 1 1 calc GR . . . .
C2 C 1.2291(11) 0.7995(10) 0.5227(9) 0.063(3) Uani 1 1 d . U . . .
H2A H 1.316013 0.819065 0.492337 0.094 Uiso 1 1 calc GR . . . .
H2B H 1.224215 0.772495 0.591188 0.094 Uiso 1 1 calc GR . . . .
H2C H 1.177341 0.865229 0.515618 0.094 Uiso 1 1 calc GR . . . .
C15 C 1.0951(9) 0.2539(8) 0.8711(7) 0.037(2) Uani 1 1 d . U . . .
H15 H 1.133044 0.195012 0.905618 0.044 Uiso 1 1 calc R . . . .
C8 C 0.7188(9) 0.7763(9) 0.5060(7) 0.0405(19) Uani 1 1 d . U . . .
C11 C 0.6370(11) 0.8340(11) 0.5829(8) 0.063(3) Uani 1 1 d . U . . .
H11A H 0.611960 0.780740 0.641650 0.094 Uiso 1 1 calc GR . . . .
H11B H 0.562390 0.862263 0.559601 0.094 Uiso 1 1 calc GR . . . .
H11C H 0.684091 0.895898 0.596740 0.094 Uiso 1 1 calc GR . . . .
C9 C 0.7647(11) 0.8583(11) 0.4194(10) 0.070(3) Uani 1 1 d . U . . .
H9A H 0.815682 0.915627 0.436165 0.105 Uiso 1 1 calc GR . . . .
H9B H 0.693330 0.892868 0.395219 0.105 Uiso 1 1 calc GR . . . .
H9C H 0.815251 0.820588 0.369650 0.105 Uiso 1 1 calc GR . . . .
C20 C 0.5585(8) 0.3685(8) 0.9340(7) 0.036(2) Uani 1 1 d . U . . .


_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
Pt2 O3 2.063(6) . ?
Pt2 N2 2.001(7) . ?
Pt2 O4 1.990(6) . ?
Pt2 C20 1.952(8) . ?
Pt1 O1 1.994(6) . ?
Pt1 O2 2.087(6) . ?
Pt1 N1 1.974(7) . ?
Pt1 C12 1.984(9) . ?
O1 C5 1.259(11) . ?
F1 C16 1.335(10) . ?
F2 C14 1.364(10) . ?
O3 C34 1.298(10) . ?
O2 C7 1.265(10) . ?
C32 O4 1.303(10) . ?
C32 C33 1.357(12) . ?
C32 C28 1.511(12) . ?
N2 C23 1.382(10) . ?
N2 C27 1.363(10) . ?
C35 C38 1.568(13) . ?
C35 C34 1.507(12) . ?
C35 C36 1.531(13) . ?
C35 C37 1.569(14) . ?
C19 H19 0.9500 . ?
C19 C18 1.424(11) . ?
C19 C20 1.388(11) . ?
C7 C6 1.404(12) . ?
C7 C8 1.534(14) . ?
C23 C21 1.488(11) . ?
C23 C24 1.377(12) . ?
C21 C22 1.342(11) . ?
C21 C20 1.367(12) . ?
C33 H33 0.9500 . ?
C33 C34 1.392(12) . ?
C17 C18 1.445(12) . ?
C17 C12 1.420(11) . ?
C17 C16 1.410(13) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
N1 C18 1.356(11) . ?
N1 C22 1.381(11) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C3 C4 1.491(15) . ?
C5 C4 1.534(12) . ?
C5 C6 1.372(13) . ?
C26 H26 0.9500 . ?
C26 C25 1.346(13) . ?
C26 C27 1.408(12) . ?
C22 H22 0.9500 . ?
C4 C1 1.537(15) . ?
C4 C2 1.541(16) . ?
C25 H25 0.9500 . ?
C25 C24 1.386(13) . ?
C27 H27 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C31 C28 1.532(13) . ?
C13 H13 0.9500 . ?
C13 C12 1.379(12) . ?
C13 C14 1.363(13) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C30 C28 1.539(13) . ?
C24 H24 0.9500 . ?
C6 H6 0.9500 . ?
C28 C29 1.520(14) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C16 C15 1.396(13) . ?
C14 C15 1.356(12) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C10 C8 1.504(16) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C15 H15 0.9500 . ?
C8 C11 1.527(15) . ?
C8 C9 1.483(16) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 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
N2 Pt2 O3 93.7(3) . . ?
O4 Pt2 O3 92.3(2) . . ?
O4 Pt2 N2 174.0(3) . . ?
C20 Pt2 O3 173.7(3) . . ?
C20 Pt2 N2 80.6(3) . . ?
C20 Pt2 O4 93.5(3) . . ?
O1 Pt1 O2 90.7(2) . . ?
N1 Pt1 O1 175.6(3) . . ?
N1 Pt1 O2 93.6(3) . . ?
N1 Pt1 C12 81.2(3) . . ?
C12 Pt1 O1 94.5(3) . . ?
C12 Pt1 O2 174.1(3) . . ?
C5 O1 Pt1 126.6(6) . . ?
C34 O3 Pt2 123.2(5) . . ?
C7 O2 Pt1 122.8(6) . . ?
O4 C32 C33 122.8(8) . . ?
O4 C32 C28 112.0(7) . . ?
C33 C32 C28 125.2(8) . . ?
C23 N2 Pt2 116.9(5) . . ?
C27 N2 Pt2 122.5(5) . . ?
C27 N2 C23 120.6(7) . . ?
C32 O4 Pt2 126.0(5) . . ?
C38 C35 C37 109.4(7) . . ?
C34 C35 C38 110.7(8) . . ?
C34 C35 C36 111.0(7) . . ?
C34 C35 C37 108.5(8) . . ?
C36 C35 C38 108.1(8) . . ?
C36 C35 C37 109.1(9) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C20 C19 C18 120.3(8) . . ?
O2 C7 C6 125.8(9) . . ?
O2 C7 C8 114.0(7) . . ?
C6 C7 C8 120.2(8) . . ?
N2 C23 C21 110.5(7) . . ?
C24 C23 N2 121.3(7) . . ?
C24 C23 C21 128.1(7) . . ?
C22 C21 C23 121.6(8) . . ?
C22 C21 C20 123.0(8) . . ?
C20 C21 C23 115.3(7) . . ?
C32 C33 H33 114.0 . . ?
C32 C33 C34 132.0(8) . . ?
C34 C33 H33 114.0 . . ?
C12 C17 C18 115.3(8) . . ?
C16 C17 C18 127.7(8) . . ?
C16 C17 C12 117.0(8) . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C18 N1 Pt1 117.6(5) . . ?
C18 N1 C22 118.7(7) . . ?
C22 N1 Pt1 123.8(6) . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
O1 C5 C4 113.4(8) . . ?
O1 C5 C6 125.6(8) . . ?
C6 C5 C4 120.9(8) . . ?
C19 C18 C17 127.4(8) . . ?
N1 C18 C19 119.9(7) . . ?
N1 C18 C17 112.7(7) . . ?
C25 C26 H26 120.1 . . ?
C25 C26 C27 119.8(8) . . ?
C27 C26 H26 120.1 . . ?
C21 C22 N1 121.1(8) . . ?
C21 C22 H22 119.4 . . ?
N1 C22 H22 119.4 . . ?
C3 C4 C5 114.0(9) . . ?
C3 C4 C1 108.9(9) . . ?
C3 C4 C2 107.7(8) . . ?
C5 C4 C1 110.1(8) . . ?
C5 C4 C2 106.3(8) . . ?
C1 C4 C2 109.7(10) . . ?
C26 C25 H25 118.8 . . ?
C26 C25 C24 122.4(9) . . ?
C24 C25 H25 118.8 . . ?
N2 C27 C26 118.6(7) . . ?
N2 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
O3 C34 C35 115.1(7) . . ?
O3 C34 C33 123.3(8) . . ?
C33 C34 C35 121.5(7) . . ?
C12 C13 H13 120.7 . . ?
C14 C13 H13 120.7 . . ?
C14 C13 C12 118.6(8) . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
C17 C12 Pt1 113.2(6) . . ?
C13 C12 Pt1 125.9(6) . . ?
C13 C12 C17 120.8(8) . . ?
C23 C24 C25 117.3(8) . . ?
C23 C24 H24 121.4 . . ?
C25 C24 H24 121.4 . . ?
C7 C6 H6 116.3 . . ?
C5 C6 C7 127.4(9) . . ?
C5 C6 H6 116.3 . . ?
C32 C28 C31 112.1(7) . . ?
C32 C28 C30 108.7(8) . . ?
C32 C28 C29 108.7(7) . . ?
C31 C28 C30 108.0(8) . . ?
C29 C28 C31 110.3(9) . . ?
C29 C28 C30 109.1(8) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
F1 C16 C17 119.8(8) . . ?
F1 C16 C15 118.3(8) . . ?
C15 C16 C17 122.0(8) . . ?
C13 C14 F2 118.4(8) . . ?
C15 C14 F2 117.0(8) . . ?
C15 C14 C13 124.6(8) . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C16 C15 H15 121.5 . . ?
C14 C15 C16 117.1(9) . . ?
C14 C15 H15 121.5 . . ?
C10 C8 C7 106.4(9) . . ?
C10 C8 C11 108.2(9) . . ?
C11 C8 C7 109.2(9) . . ?
C9 C8 C7 114.7(8) . . ?
C9 C8 C10 108.3(10) . . ?
C9 C8 C11 109.7(10) . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C19 C20 Pt2 126.4(7) . . ?
C21 C20 Pt2 116.5(6) . . ?
C21 C20 C19 116.9(8) . . ?

_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_08304_0m
_database_code_depnum_ccdc_archive 'CCDC 1965379'
loop_
_audit_author_name
_audit_author_address
'zhaoran hao'
;xiangtan university
China
;
_audit_update_record             
;
2019-11-13 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_audit_creation_date             2019-08-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H28 F2 N2 O2 Pt'
_chemical_formula_sum            'C27 H28 F2 N2 O2 Pt'
_chemical_formula_weight         645.60
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
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                   43.3764(14)
_cell_length_b                   6.9415(2)
_cell_length_c                   18.5322(5)
_cell_angle_alpha                90
_cell_angle_beta                 115.0650(10)
_cell_angle_gamma                90
_cell_volume                     5054.5(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.414
_cell_measurement_theta_min      2.980
_shelx_estimated_absorpt_T_max   0.663
_shelx_estimated_absorpt_T_min   0.450
_exptl_absorpt_coefficient_mu    5.593
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1091 before and 0.0544 after correction. The Ratio of minimum to maximum transmission is 0.5345. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.697
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0489
_diffrn_reflns_av_unetI/netI     0.0365
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       54
_diffrn_reflns_limit_h_min       -54
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27337
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.426
_diffrn_reflns_theta_min         2.427
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4464
_reflns_number_total             5184
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.665
_refine_diff_density_min         -0.919
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5184
_refine_ls_number_restraints     420
_refine_ls_R_factor_all          0.0319
_refine_ls_R_factor_gt           0.0239
_refine_ls_restrained_S_all      1.028
_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)+(0.0215P)²+5.4207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0516
_refine_ls_wR_factor_ref         0.0553
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
3. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C27) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C26)
\\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C30) \\sim Ueq: with sigma of 0.005 and
sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: C28(0.75) H28A(0.75) H28B(0.75) H28C(0.75) C26(0.75) H26A(0.75)
 H26B(0.75) H26C(0.75) C30(0.75) H30A(0.75) H30B(0.75) H30C(0.75) C29(0.25)
 H29A(0.25) H29B(0.25) H29C(0.25) C25(0.25) H25A(0.25) H25B(0.25) H25C(0.25)
 C27(0.25) H27A(0.25) H27B(0.25) H27C(0.25)
5.a Aromatic/amide H refined with riding coordinates:
 C11(H11), C8(H8), C3(H3), C18(H18), C16(H16), C6(H6), C1(H1), C13(H13),
 C15(H15), C14(H14)
5.b Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C21(H21A,H21B,H21C), C23(H23A,H23B,H23C), C28(H28A,H28B,
 H28C), C26(H26A,H26B,H26C), C30(H30A,H30B,H30C), C29(H29A,H29B,H29C), C25(H25A,
 H25B,H25C), C27(H27A,H27B,H27C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt1 Pt 0.35076(2) 0.81934(2) 0.40316(2) 0.02540(5) Uani 1 1 d . U . . .
O1 O 0.37257(6) 0.7680(4) 0.32959(14) 0.0335(6) Uani 1 1 d . U . . .
O2 O 0.39778(7) 0.8197(3) 0.50133(14) 0.0352(6) Uani 1 1 d . U . . .
F3 F 0.17479(6) 0.7853(3) 0.22890(13) 0.0454(6) Uani 1 1 d . U . . .
N2 N 0.32472(8) 0.8648(4) 0.46780(16) 0.0281(6) Uani 1 1 d . U . . .
F1 F 0.10457(6) 0.8457(4) -0.04149(15) 0.0616(7) Uani 1 1 d . U . . .
C9 C 0.30484(9) 0.8279(4) 0.31675(19) 0.0255(7) Uani 1 1 d . U . . .
C10 C 0.27868(9) 0.8610(4) 0.34123(19) 0.0254(7) Uani 1 1 d . U . . .
N1 N 0.26161(8) 0.8167(4) 0.18080(16) 0.0292(6) Uani 1 1 d . U . . .
C17 C 0.40446(9) 0.7392(5) 0.3510(2) 0.0353(8) Uani 1 1 d . U . . .
C11 C 0.29376(9) 0.8110(4) 0.2340(2) 0.0286(7) Uani 1 1 d . U . . .
H11 H 0.310663 0.794207 0.214641 0.034 Uiso 1 1 calc R . . . .
C12 C 0.29050(9) 0.8853(5) 0.4274(2) 0.0269(7) Uani 1 1 d . U . . .
C8 C 0.24479(9) 0.8644(4) 0.28686(19) 0.0272(7) Uani 1 1 d . U . . .
H8 H 0.227289 0.882700 0.304204 0.033 Uiso 1 1 calc R . . . .
C7 C 0.23683(9) 0.8405(4) 0.2057(2) 0.0271(7) Uani 1 1 d . U . . .
C3 C 0.13963(10) 0.8156(5) 0.0943(2) 0.0403(9) Uani 1 1 d . U . . .
H3 H 0.120336 0.797537 0.105340 0.048 Uiso 1 1 calc R . . . .
C19 C 0.42604(10) 0.7897(5) 0.4985(2) 0.0367(9) Uani 1 1 d . U . . .
C5 C 0.20156(9) 0.8422(4) 0.1422(2) 0.0293(8) Uani 1 1 d . U . . .
C4 C 0.17238(10) 0.8150(5) 0.1544(2) 0.0327(8) Uani 1 1 d . U . . .
C18 C 0.42977(10) 0.7483(6) 0.4282(2) 0.0415(9) Uani 1 1 d . U . . .
H18 H 0.452299 0.723721 0.434339 0.050 Uiso 1 1 calc R . . . .
C16 C 0.33895(10) 0.8742(5) 0.5479(2) 0.0350(8) Uani 1 1 d . U . . .
H16 H 0.362870 0.857899 0.576020 0.042 Uiso 1 1 calc R . . . .
C6 C 0.19592(10) 0.8676(5) 0.0627(2) 0.0348(8) Uani 1 1 d . U . . .
H6 H 0.214991 0.884811 0.050731 0.042 Uiso 1 1 calc R . . . .
C20 C 0.41252(11) 0.6938(6) 0.2800(2) 0.0459(10) Uani 1 1 d . U . . .
C1 C 0.16367(10) 0.8686(5) 0.0007(2) 0.0408(9) Uani 1 1 d . U . . .
H1 H 0.160561 0.886228 -0.052771 0.049 Uiso 1 1 calc R . . . .
C13 C 0.27087(10) 0.9260(5) 0.4672(2) 0.0358(8) Uani 1 1 d . U . . .
H13 H 0.247106 0.946433 0.438194 0.043 Uiso 1 1 calc R . . . .
C15 C 0.32010(10) 0.9065(6) 0.5903(2) 0.0398(9) Uani 1 1 d . U . . .
H15 H 0.330703 0.907591 0.646860 0.048 Uiso 1 1 calc R . . . .
C2 C 0.13642(10) 0.8435(5) 0.0185(2) 0.0415(10) Uani 1 1 d . U . . .
C24 C 0.45741(11) 0.8078(6) 0.5779(2) 0.0458(10) Uani 1 1 d . U . . .
C14 C 0.28564(10) 0.9374(6) 0.5498(2) 0.0411(9) Uani 1 1 d . U . . .
H14 H 0.272220 0.965993 0.577831 0.049 Uiso 1 1 calc R . . . .
C22 C 0.39814(19) 0.8533(9) 0.2196(4) 0.102(2) Uani 1 1 d . U . . .
H22A H 0.373397 0.859027 0.201347 0.153 Uiso 1 1 calc GR . . . .
H22B H 0.403456 0.828103 0.174045 0.153 Uiso 1 1 calc GR . . . .
H22C H 0.408227 0.976511 0.244081 0.153 Uiso 1 1 calc GR . . . .
C21 C 0.44983(14) 0.6743(11) 0.3007(3) 0.106(3) Uani 1 1 d . U . . .
H21A H 0.461823 0.790101 0.329020 0.159 Uiso 1 1 calc GR . . . .
H21B H 0.453046 0.658913 0.251788 0.159 Uiso 1 1 calc GR . . . .
H21C H 0.458944 0.561308 0.334864 0.159 Uiso 1 1 calc GR . . . .
C23 C 0.39388(18) 0.5127(10) 0.2412(4) 0.111(3) Uani 1 1 d . U . . .
H23A H 0.403338 0.403691 0.277544 0.166 Uiso 1 1 calc GR . . . .
H23B H 0.396449 0.489367 0.191885 0.166 Uiso 1 1 calc GR . . . .
H23C H 0.369680 0.526939 0.228885 0.166 Uiso 1 1 calc GR . . . .
C28 C 0.4511(2) 0.7094(14) 0.6406(4) 0.091(3) Uani 0.75 1 d . U P A 1
H28A H 0.429281 0.752233 0.638884 0.136 Uiso 0.75 1 calc GR . P A 1
H28B H 0.469410 0.740542 0.692779 0.136 Uiso 0.75 1 calc GR . P A 1
H28C H 0.450466 0.569870 0.632077 0.136 Uiso 0.75 1 calc GR . P A 1
C26 C 0.49100(17) 0.7533(13) 0.5757(4) 0.076(2) Uani 0.75 1 d . U P A 1
H26A H 0.490623 0.616441 0.562380 0.114 Uiso 0.75 1 calc GR . P A 1
H26B H 0.509742 0.777571 0.627936 0.114 Uiso 0.75 1 calc GR . P A 1
H26C H 0.494257 0.830908 0.535250 0.114 Uiso 0.75 1 calc GR . P A 1
C30 C 0.46083(18) 1.0283(10) 0.5966(4) 0.077(2) Uani 0.75 1 d . U P A 1
H30A H 0.465754 1.096310 0.556341 0.115 Uiso 0.75 1 calc GR . P A 1
H30B H 0.479393 1.050081 0.649370 0.115 Uiso 0.75 1 calc GR . P A 1
H30C H 0.439476 1.076834 0.595856 0.115 Uiso 0.75 1 calc GR . P A 1
C29 C 0.4466(6) 0.885(3) 0.6432(11) 0.068(5) Uani 0.25 1 d . U P A 2
H29A H 0.436373 1.013019 0.627808 0.102 Uiso 0.25 1 calc GR . P A 2
H29B H 0.466735 0.893842 0.694253 0.102 Uiso 0.25 1 calc GR . P A 2
H29C H 0.430063 0.796804 0.648369 0.102 Uiso 0.25 1 calc GR . P A 2
C25 C 0.4840(6) 0.903(3) 0.5779(12) 0.069(5) Uani 0.25 1 d . U P A 2
H25A H 0.493685 0.831638 0.546933 0.104 Uiso 0.25 1 calc GR . P A 2
H25B H 0.501225 0.918196 0.632834 0.104 Uiso 0.25 1 calc GR . P A 2
H25C H 0.476618 1.030862 0.554079 0.104 Uiso 0.25 1 calc GR . P A 2
C27 C 0.4671(5) 0.578(3) 0.6053(11) 0.061(4) Uani 0.25 1 d . U P A 2
H27A H 0.446539 0.509204 0.600375 0.092 Uiso 0.25 1 calc GR . P A 2
H27B H 0.484146 0.572703 0.660773 0.092 Uiso 0.25 1 calc GR . P A 2
H27C H 0.476262 0.516687 0.570873 0.092 Uiso 0.25 1 calc GR . 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
Pt1 O1 1.993(2) . ?
Pt1 O2 2.080(2) . ?
Pt1 N2 1.990(3) . ?
Pt1 C9 1.958(3) . ?
O1 C17 1.283(4) . ?
O2 C19 1.266(5) . ?
F3 C4 1.356(4) . ?
N2 C12 1.357(4) . ?
N2 C16 1.346(4) . ?
F1 C2 1.358(4) . ?
C9 C10 1.408(5) . ?
C9 C11 1.405(4) . ?
C10 C12 1.465(4) . ?
C10 C8 1.386(5) . ?
N1 C11 1.324(4) . ?
N1 C7 1.348(5) . ?
C17 C18 1.387(5) . ?
C17 C20 1.532(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.372(5) . ?
C8 H8 0.9500 . ?
C8 C7 1.403(5) . ?
C7 C5 1.484(5) . ?
C3 H3 0.9500 . ?
C3 C4 1.384(5) . ?
C3 C2 1.365(6) . ?
C19 C18 1.410(5) . ?
C19 C24 1.528(5) . ?
C5 C4 1.389(5) . ?
C5 C6 1.399(5) . ?
C18 H18 0.9500 . ?
C16 H16 0.9500 . ?
C16 C15 1.371(5) . ?
C6 H6 0.9500 . ?
C6 C1 1.383(5) . ?
C20 C22 1.509(6) . ?
C20 C21 1.502(7) . ?
C20 C23 1.503(7) . ?
C1 H1 0.9500 . ?
C1 C2 1.367(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.390(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.376(5) . ?
C24 C28 1.471(8) . ?
C24 C26 1.523(8) . ?
C24 C30 1.562(8) . ?
C24 C29 1.565(19) . ?
C24 C25 1.33(2) . ?
C24 C27 1.675(18) . ?
C14 H14 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 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
O1 Pt1 O2 91.43(10) . . ?
N2 Pt1 O1 174.46(10) . . ?
N2 Pt1 O2 93.99(11) . . ?
C9 Pt1 O1 93.40(12) . . ?
C9 Pt1 O2 175.08(12) . . ?
C9 Pt1 N2 81.20(13) . . ?
C17 O1 Pt1 125.3(2) . . ?
C19 O2 Pt1 124.9(2) . . ?
C12 N2 Pt1 116.8(2) . . ?
C16 N2 Pt1 124.0(3) . . ?
C16 N2 C12 119.1(3) . . ?
C10 C9 Pt1 114.9(2) . . ?
C11 C9 Pt1 130.5(3) . . ?
C11 C9 C10 114.6(3) . . ?
C9 C10 C12 114.3(3) . . ?
C8 C10 C9 121.3(3) . . ?
C8 C10 C12 124.3(3) . . ?
C11 N1 C7 119.3(3) . . ?
O1 C17 C18 126.2(4) . . ?
O1 C17 C20 112.0(3) . . ?
C18 C17 C20 121.8(4) . . ?
C9 C11 H11 117.4 . . ?
N1 C11 C9 125.2(3) . . ?
N1 C11 H11 117.4 . . ?
N2 C12 C10 112.7(3) . . ?
N2 C12 C13 120.5(3) . . ?
C13 C12 C10 126.8(3) . . ?
C10 C8 H8 120.6 . . ?
C10 C8 C7 118.7(3) . . ?
C7 C8 H8 120.6 . . ?
N1 C7 C8 120.8(3) . . ?
N1 C7 C5 115.7(3) . . ?
C8 C7 C5 123.5(3) . . ?
C4 C3 H3 121.6 . . ?
C2 C3 H3 121.6 . . ?
C2 C3 C4 116.7(4) . . ?
O2 C19 C18 124.3(3) . . ?
O2 C19 C24 115.5(3) . . ?
C18 C19 C24 120.2(4) . . ?
C4 C5 C7 125.1(3) . . ?
C4 C5 C6 115.0(3) . . ?
C6 C5 C7 119.9(3) . . ?
F3 C4 C3 115.4(4) . . ?
F3 C4 C5 120.2(3) . . ?
C3 C4 C5 124.4(4) . . ?
C17 C18 C19 127.7(4) . . ?
C17 C18 H18 116.1 . . ?
C19 C18 H18 116.1 . . ?
N2 C16 H16 118.9 . . ?
N2 C16 C15 122.2(4) . . ?
C15 C16 H16 118.9 . . ?
C5 C6 H6 118.7 . . ?
C1 C6 C5 122.6(4) . . ?
C1 C6 H6 118.7 . . ?
C22 C20 C17 108.3(3) . . ?
C21 C20 C17 114.3(4) . . ?
C21 C20 C22 108.5(5) . . ?
C23 C20 C17 108.1(4) . . ?
C23 C20 C22 106.8(5) . . ?
C23 C20 C21 110.5(5) . . ?
C6 C1 H1 120.9 . . ?
C2 C1 C6 118.2(4) . . ?
C2 C1 H1 120.9 . . ?
C12 C13 H13 119.9 . . ?
C12 C13 C14 120.2(4) . . ?
C14 C13 H13 119.9 . . ?
C16 C15 H15 120.4 . . ?
C16 C15 C14 119.2(3) . . ?
C14 C15 H15 120.4 . . ?
F1 C2 C3 118.0(4) . . ?
F1 C2 C1 119.0(4) . . ?
C3 C2 C1 123.0(4) . . ?
C19 C24 C30 104.9(4) . . ?
C19 C24 C29 109.7(8) . . ?
C19 C24 C27 102.7(7) . . ?
C28 C24 C19 109.6(4) . . ?
C28 C24 C26 114.0(6) . . ?
C28 C24 C30 108.1(6) . . ?
C26 C24 C19 115.2(4) . . ?
C26 C24 C30 104.3(5) . . ?
C29 C24 C27 102.1(12) . . ?
C25 C24 C19 117.4(10) . . ?
C25 C24 C29 111.8(14) . . ?
C25 C24 C27 111.7(13) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 C13 118.6(3) . . ?
C15 C14 H14 120.7 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 C28 H28A 109.5 . . ?
C24 C28 H28B 109.5 . . ?
C24 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C30 H30A 109.5 . . ?
C24 C30 H30B 109.5 . . ?
C24 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
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 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?

_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_08305_0m
_database_code_depnum_ccdc_archive 'CCDC 1965380'
loop_
_audit_author_name
_audit_author_address
'zhaoran hao'
;xiangtan university
China
;
_audit_update_record             
;
2019-11-13 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_audit_creation_date             2019-08-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H28 F2 N2 O2 Pt'
_chemical_formula_sum            'C27 H28 F2 N2 O2 Pt'
_chemical_formula_weight         645.60
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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                   10.4374(3)
_cell_length_b                   13.3848(4)
_cell_length_c                   19.0129(5)
_cell_angle_alpha                90.1000(10)
_cell_angle_beta                 98.4650(10)
_cell_angle_gamma                106.9290(10)
_cell_volume                     2510.57(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.395
_cell_measurement_theta_min      2.562
_shelx_estimated_absorpt_T_max   0.662
_shelx_estimated_absorpt_T_min   0.466
_exptl_absorpt_coefficient_mu    5.630
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6171
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0625 before and 0.0441 after correction. The Ratio of minimum to maximum transmission is 0.8279. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0330
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25739
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.476
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7507
_reflns_number_total             8821
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.856
_refine_diff_density_min         -0.803
_refine_diff_density_rms         0.103
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     655
_refine_ls_number_reflns         8821
_refine_ls_number_restraints     744
_refine_ls_R_factor_all          0.0353
_refine_ls_R_factor_gt           0.0270
_refine_ls_restrained_S_all      1.016
_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)+(0.0212P)²+4.6647P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0577
_refine_ls_wR_factor_ref         0.0612
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C50-C47 \\sim C49-C47 \\sim C48-C47 \\sim C53-C47 \\sim C51-C47 \\sim C54-C47
 with sigma of 0.02
3. Rigid bond restraints
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.01
4. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 2A with sigma of 0.04 and sigma
for terminal atoms of 0.08
Uanis(C49) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C54) \\sim Ueq, Uanis(C53)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
Uanis(C1) \\sim Ueq: with sigma of 0.001 and sigma for terminal atoms of 0.002
5. Others
 Fixed Sof: C49(0.6) H49A(0.6) H49B(0.6) H49C(0.6) C53(0.6) H53A(0.6)
 H53B(0.6) H53C(0.6) C51(0.6) H51A(0.6) H51B(0.6) H51C(0.6) C54(0.4) H54A(0.4)
 H54B(0.4) H54C(0.4) C50(0.4) H50A(0.4) H50B(0.4) H50C(0.4) C48(0.4) H48A(0.4)
 H48B(0.4) H48C(0.4)
6.a Aromatic/amide H refined with riding coordinates:
 C37(H37), C35(H35), C13(H13), C10(H10), C11(H11), C8(H8), C18(H18), C38(H38),
 C29(H29), C14(H14), C3(H3), C45(H45), C40(H40), C43(H43), C31(H31), C41(H41),
 C42(H42), C15(H15), C16(H16), C1(H1)
6.b Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C25(H25A,H25B,H25C), C21(H21A,H21B,H21C), C26(H26A,H26B,
 H26C), C58(H58A,H58B,H58C), C27(H27A,H27B,H27C), C23(H23A,H23B,H23C), C56(H56A,
 H56B,H56C), C57(H57A,H57B,H57C), C49(H49A,H49B,H49C), C53(H53A,H53B,H53C),
 C51(H51A,H51B,H51C), C54(H54A,H54B,H54C), C50(H50A,H50B,H50C), C48(H48A,H48B,
 H48C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt1 Pt 0.65339(2) 0.04295(2) 0.67499(2) 0.02338(6) Uani 1 1 d . U . . .
Pt2 Pt 0.58763(2) 0.44433(2) 0.17634(2) 0.02687(6) Uani 1 1 d . U . . .
O2 O 0.4805(3) 0.0051(3) 0.72200(16) 0.0312(8) Uani 1 1 d . U . . .
O3 O 0.7173(3) 0.4660(3) 0.26735(17) 0.0365(8) Uani 1 1 d . U . . .
O1 O 0.7616(3) 0.0063(3) 0.76173(16) 0.0295(7) Uani 1 1 d . U . . .
O4 O 0.4600(3) 0.5079(3) 0.22206(16) 0.0324(8) Uani 1 1 d . U . . .
F2 F 0.8486(3) 0.1777(2) 0.44338(14) 0.0434(8) Uani 1 1 d . U . . .
F4 F 0.6670(3) 0.2995(3) -0.06356(15) 0.0491(8) Uani 1 1 d . U . . .
N1 N 0.5618(4) 0.0897(3) 0.58826(19) 0.0240(8) Uani 1 1 d . U . . .
N3 N 0.4636(4) 0.4111(3) 0.08467(19) 0.0262(8) Uani 1 1 d . U . . .
F1 F 1.1464(3) 0.0709(3) 0.61372(16) 0.0602(10) Uani 1 1 d . U . . .
F3 F 1.0319(3) 0.3553(3) 0.12145(17) 0.0610(10) Uani 1 1 d . U . . .
N4 N 0.0641(4) 0.3147(3) -0.1059(2) 0.0394(10) Uani 1 1 d . U . . .
C7 C 0.6367(5) 0.1257(3) 0.5349(2) 0.0236(9) Uani 1 1 d . U . . .
C6 C 0.8036(4) 0.0770(3) 0.6198(2) 0.0220(9) Uani 1 1 d . U . . .
C34 C 0.5051(5) 0.3680(4) 0.0300(2) 0.0265(10) Uani 1 1 d . U . . .
C37 C 0.2533(5) 0.3988(4) 0.0129(2) 0.0295(10) Uani 1 1 d . U . . .
H37 H 0.167714 0.411714 0.007969 0.035 Uiso 1 1 calc R . . . .
C28 C 0.7021(5) 0.3914(4) 0.1216(2) 0.0294(10) Uani 1 1 d . U . . .
C35 C 0.4184(5) 0.3381(4) -0.0336(2) 0.0288(10) Uani 1 1 d . U . . .
H35 H 0.447251 0.307776 -0.071308 0.035 Uiso 1 1 calc R . . . .
C33 C 0.6431(5) 0.3597(4) 0.0504(2) 0.0283(10) Uani 1 1 d . U . . .
C13 C 0.4360(5) 0.2258(4) 0.3403(3) 0.0338(11) Uani 1 1 d . U . . .
H13 H 0.522813 0.217837 0.337862 0.041 Uiso 1 1 calc R . . . .
C10 C 0.3729(5) 0.1271(4) 0.5206(2) 0.0306(11) Uani 1 1 d . U . . .
H10 H 0.281083 0.126899 0.516757 0.037 Uiso 1 1 calc R . . . .
C11 C 0.4323(4) 0.0897(4) 0.5807(2) 0.0290(10) Uani 1 1 d . U . . .
H11 H 0.380147 0.063430 0.617187 0.035 Uiso 1 1 calc R . . . .
C5 C 0.7757(4) 0.1172(3) 0.5527(2) 0.0243(9) Uani 1 1 d . U . . .
C9 C 0.4455(5) 0.1648(4) 0.4662(2) 0.0264(10) Uani 1 1 d . U . . .
C8 C 0.5798(5) 0.1627(4) 0.4745(2) 0.0278(10) Uani 1 1 d . U . . .
H8 H 0.632494 0.187132 0.437877 0.033 Uiso 1 1 calc R . . . .
C18 C 0.5816(5) -0.0451(4) 0.8307(2) 0.0321(11) Uani 1 1 d . U . . .
H18 H 0.561586 -0.073069 0.875099 0.039 Uiso 1 1 calc R . . . .
C36 C 0.2892(5) 0.3516(4) -0.0437(2) 0.0285(10) Uani 1 1 d . U . . .
C19 C 0.7150(5) -0.0250(4) 0.8195(2) 0.0283(10) Uani 1 1 d . U . . .
C44 C 0.4842(5) 0.5477(4) 0.2853(3) 0.0350(11) Uani 1 1 d . U . . .
N2 N 0.2561(5) 0.2137(4) 0.4068(2) 0.0446(11) Uani 1 1 d . U . . .
C39 C 0.1933(5) 0.3196(4) -0.1104(2) 0.0296(10) Uani 1 1 d . U . . .
C52 C 0.3783(5) 0.2037(4) 0.4022(2) 0.0288(10) Uani 1 1 d . U . . .
C17 C 0.4734(5) -0.0290(4) 0.7843(3) 0.0311(11) Uani 1 1 d . U . . .
C38 C 0.3402(5) 0.4261(4) 0.0746(2) 0.0293(10) Uani 1 1 d . U . . .
H38 H 0.313141 0.457255 0.112577 0.035 Uiso 1 1 calc R . . . .
C46 C 0.7001(5) 0.5046(4) 0.3251(3) 0.0389(12) Uani 1 1 d . U . . .
C29 C 0.8344(5) 0.3895(4) 0.1453(3) 0.0341(11) Uani 1 1 d . U . . .
H29 H 0.875890 0.409716 0.193085 0.041 Uiso 1 1 calc R . . . .
C24 C 0.3318(5) -0.0503(4) 0.8053(3) 0.0367(12) Uani 1 1 d . U . . .
C20 C 0.8214(5) -0.0369(4) 0.8809(2) 0.0319(11) Uani 1 1 d . U . . .
C4 C 0.8739(5) 0.1395(4) 0.5087(2) 0.0305(11) Uani 1 1 d . U . . .
C55 C 0.3836(6) 0.6049(4) 0.3017(3) 0.0413(13) Uani 1 1 d . U . . .
C47 C 0.8113(6) 0.5043(4) 0.3887(3) 0.0469(13) Uani 1 1 d D U . . .
C2 C 1.0221(5) 0.0859(4) 0.5929(3) 0.0341(11) Uani 1 1 d . U . . .
C14 C 0.3659(6) 0.2594(4) 0.2826(3) 0.0422(13) Uani 1 1 d . U . . .
H14 H 0.404275 0.275913 0.240208 0.051 Uiso 1 1 calc R . . . .
C32 C 0.7202(5) 0.3283(4) 0.0057(2) 0.0331(11) Uani 1 1 d . U . . .
C30 C 0.9030(5) 0.3576(4) 0.0977(3) 0.0391(12) Uani 1 1 d . U . . .
C3 C 0.9985(5) 0.1256(4) 0.5279(3) 0.0362(12) Uani 1 1 d . U . . .
H3 H 1.065506 0.142735 0.497532 0.043 Uiso 1 1 calc R . . . .
C45 C 0.5957(6) 0.5460(4) 0.3353(3) 0.0399(12) Uani 1 1 d . U . . .
H45 H 0.601128 0.576267 0.381251 0.048 Uiso 1 1 calc R . . . .
C40 C 0.2307(5) 0.2957(4) -0.1738(3) 0.0354(11) Uani 1 1 d . U . . .
H40 H 0.322534 0.300151 -0.176033 0.042 Uiso 1 1 calc R . . . .
C22 C 0.9577(5) -0.0180(5) 0.8564(3) 0.0514(16) Uani 1 1 d . U . . .
H22A H 0.950842 -0.070248 0.818720 0.077 Uiso 1 1 calc GR . . . .
H22B H 1.025253 -0.023769 0.896629 0.077 Uiso 1 1 calc GR . . . .
H22C H 0.985398 0.052102 0.837982 0.077 Uiso 1 1 calc GR . . . .
C43 C -0.0283(6) 0.2863(4) -0.1650(3) 0.0427(13) Uani 1 1 d . U . . .
H43 H -0.119343 0.283805 -0.162274 0.051 Uiso 1 1 calc R . . . .
C25 C 0.3233(6) -0.0893(5) 0.8805(3) 0.0458(14) Uani 1 1 d . U . . .
H25A H 0.351445 -0.153071 0.884734 0.069 Uiso 1 1 calc GR . . . .
H25B H 0.229768 -0.104501 0.889768 0.069 Uiso 1 1 calc GR . . . .
H25C H 0.383195 -0.035415 0.915167 0.069 Uiso 1 1 calc GR . . . .
C21 C 0.8330(6) 0.0453(5) 0.9394(3) 0.0570(16) Uani 1 1 d . U . . .
H21A H 0.850417 0.114455 0.919244 0.085 Uiso 1 1 calc GR . . . .
H21B H 0.907909 0.045275 0.977120 0.085 Uiso 1 1 calc GR . . . .
H21C H 0.748219 0.028805 0.959270 0.085 Uiso 1 1 calc GR . . . .
C31 C 0.8509(5) 0.3271(4) 0.0277(3) 0.0401(12) Uani 1 1 d . U . . .
H31 H 0.902524 0.306389 -0.003641 0.048 Uiso 1 1 calc R . . . .
C41 C 0.1338(6) 0.2652(4) -0.2338(3) 0.0401(12) Uani 1 1 d . U . . .
H41 H 0.157801 0.247700 -0.277497 0.048 Uiso 1 1 calc R . . . .
C42 C 0.0027(6) 0.2608(4) -0.2292(3) 0.0406(12) Uani 1 1 d . U . . .
H42 H -0.065903 0.240325 -0.269652 0.049 Uiso 1 1 calc R . . . .
C15 C 0.2404(7) 0.2688(5) 0.2870(3) 0.0520(15) Uani 1 1 d . U . . .
H15 H 0.189445 0.290799 0.247784 0.062 Uiso 1 1 calc R . . . .
C26 C 0.2979(6) 0.0539(5) 0.8008(4) 0.0602(18) Uani 1 1 d . U . . .
H26A H 0.364341 0.105872 0.834392 0.090 Uiso 1 1 calc GR . . . .
H26B H 0.206979 0.043897 0.812811 0.090 Uiso 1 1 calc GR . . . .
H26C H 0.300691 0.078311 0.752345 0.090 Uiso 1 1 calc GR . . . .
C16 C 0.1900(7) 0.2456(5) 0.3495(3) 0.0573(17) Uani 1 1 d . U . . .
H16 H 0.102894 0.252481 0.352391 0.069 Uiso 1 1 calc R . . . .
C58 C 0.4278(8) 0.7121(5) 0.2689(4) 0.0657(19) Uani 1 1 d . U . . .
H58A H 0.521062 0.749437 0.290125 0.098 Uiso 1 1 calc GR . . . .
H58B H 0.367443 0.752925 0.278276 0.098 Uiso 1 1 calc GR . . . .
H58C H 0.423088 0.702294 0.217391 0.098 Uiso 1 1 calc GR . . . .
C27 C 0.2338(6) -0.1316(5) 0.7528(3) 0.0592(16) Uani 1 1 d . U . . .
H27A H 0.234918 -0.105669 0.704706 0.089 Uiso 1 1 calc GR . . . .
H27B H 0.142203 -0.145966 0.764893 0.089 Uiso 1 1 calc GR . . . .
H27C H 0.260490 -0.196052 0.754855 0.089 Uiso 1 1 calc GR . . . .
C23 C 0.7792(6) -0.1465(5) 0.9090(3) 0.0543(16) Uani 1 1 d . U . . .
H23A H 0.690115 -0.159890 0.924082 0.081 Uiso 1 1 calc GR . . . .
H23B H 0.845992 -0.151991 0.949631 0.081 Uiso 1 1 calc GR . . . .
H23C H 0.774261 -0.198099 0.871258 0.081 Uiso 1 1 calc GR . . . .
C56 C 0.3828(7) 0.6210(6) 0.3815(3) 0.0651(19) Uani 1 1 d . U . . .
H56A H 0.365294 0.553350 0.403788 0.098 Uiso 1 1 calc GR . . . .
H56B H 0.311522 0.652761 0.388144 0.098 Uiso 1 1 calc GR . . . .
H56C H 0.470948 0.667229 0.403694 0.098 Uiso 1 1 calc GR . . . .
C57 C 0.2408(6) 0.5471(5) 0.2662(4) 0.0635(18) Uani 1 1 d . U . . .
H57A H 0.238097 0.543346 0.214540 0.095 Uiso 1 1 calc GR . . . .
H57B H 0.177996 0.584423 0.277759 0.095 Uiso 1 1 calc GR . . . .
H57C H 0.214263 0.476206 0.283550 0.095 Uiso 1 1 calc GR . . . .
C49 C 0.7449(13) 0.4531(11) 0.4509(6) 0.067(3) Uani 0.6 1 d D U P A 2
H49A H 0.706071 0.501365 0.473005 0.100 Uiso 0.6 1 calc GR . P A 2
H49B H 0.812954 0.435943 0.486070 0.100 Uiso 0.6 1 calc GR . P A 2
H49C H 0.672855 0.388938 0.433625 0.100 Uiso 0.6 1 calc GR . P A 2
C53 C 0.8959(13) 0.4329(12) 0.3687(6) 0.081(3) Uani 0.6 1 d D U P A 2
H53A H 0.834745 0.364500 0.350412 0.121 Uiso 0.6 1 calc GR . P A 2
H53B H 0.956833 0.423995 0.411068 0.121 Uiso 0.6 1 calc GR . P A 2
H53C H 0.949482 0.465366 0.332090 0.121 Uiso 0.6 1 calc GR . P A 2
C51 C 0.9007(14) 0.6118(8) 0.4082(8) 0.081(3) Uani 0.6 1 d D U P A 2
H51A H 0.951271 0.638209 0.369234 0.121 Uiso 0.6 1 calc GR . P A 2
H51B H 0.964337 0.611165 0.451450 0.121 Uiso 0.6 1 calc GR . P A 2
H51C H 0.845492 0.657325 0.416828 0.121 Uiso 0.6 1 calc GR . P A 2
C54 C 0.9487(14) 0.5640(18) 0.3730(11) 0.084(5) Uani 0.4 1 d D U P A 1
H54A H 0.974437 0.524944 0.336550 0.125 Uiso 0.4 1 calc GR . P A 1
H54B H 1.015150 0.573585 0.416513 0.125 Uiso 0.4 1 calc GR . P A 1
H54C H 0.946482 0.632440 0.355651 0.125 Uiso 0.4 1 calc GR . P A 1
C50 C 0.805(3) 0.575(2) 0.4533(10) 0.115(7) Uani 0.4 1 d D U P A 1
H50A H 0.801296 0.643249 0.436769 0.172 Uiso 0.4 1 calc GR . P A 1
H50B H 0.886423 0.583753 0.488886 0.172 Uiso 0.4 1 calc GR . P A 1
H50C H 0.724389 0.541406 0.474757 0.172 Uiso 0.4 1 calc GR . P A 1
C48 C 0.787(3) 0.3993(12) 0.4145(15) 0.135(10) Uani 0.4 1 d D U P A 1
H48A H 0.705844 0.381677 0.437517 0.202 Uiso 0.4 1 calc GR . P A 1
H48B H 0.865288 0.396008 0.448885 0.202 Uiso 0.4 1 calc GR . P A 1
H48C H 0.773848 0.349444 0.374325 0.202 Uiso 0.4 1 calc GR . P A 1
C1 C 0.9324(4) 0.0573(3) 0.6471(2) 0.0246(9) Uani 1 1 d . U . . .
H1 H 0.954203 0.030554 0.692035 0.030 Uiso 1 1 calc R . . . .


_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
Pt1 O2 2.063(3) . ?
Pt1 O1 2.003(3) . ?
Pt1 N1 1.978(4) . ?
Pt1 C6 1.959(4) . ?
Pt2 O3 1.998(3) . ?
Pt2 O4 2.062(3) . ?
Pt2 N3 1.978(4) . ?
Pt2 C28 1.966(5) . ?
O2 C17 1.275(5) . ?
O3 C46 1.271(6) . ?
O1 C19 1.287(5) . ?
O4 C44 1.275(6) . ?
F2 C4 1.364(5) . ?
F4 C32 1.360(5) . ?
N1 C7 1.374(5) . ?
N1 C11 1.338(5) . ?
N3 C34 1.370(6) . ?
N3 C38 1.346(6) . ?
F1 C2 1.371(5) . ?
F3 C30 1.365(5) . ?
N4 C39 1.346(6) . ?
N4 C43 1.343(6) . ?
C7 C5 1.477(6) . ?
C7 C8 1.376(6) . ?
C6 C5 1.409(6) . ?
C6 C1 1.465(6) . ?
C34 C35 1.381(6) . ?
C34 C33 1.471(6) . ?
C37 H37 0.9500 . ?
C37 C36 1.397(6) . ?
C37 C38 1.351(6) . ?
C28 C33 1.413(7) . ?
C28 C29 1.396(6) . ?
C35 H35 0.9500 . ?
C35 C36 1.398(6) . ?
C33 C32 1.394(6) . ?
C13 H13 0.9500 . ?
C13 C52 1.394(6) . ?
C13 C14 1.378(7) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(6) . ?
C10 C9 1.382(6) . ?
C11 H11 0.9500 . ?
C5 C4 1.383(6) . ?
C9 C8 1.395(6) . ?
C9 C52 1.487(6) . ?
C8 H8 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.388(6) . ?
C18 C17 1.396(6) . ?
C36 C39 1.471(7) . ?
C19 C20 1.531(6) . ?
C44 C55 1.532(7) . ?
C44 C45 1.396(7) . ?
N2 C52 1.336(6) . ?
N2 C16 1.341(7) . ?
C39 C40 1.386(7) . ?
C17 C24 1.534(6) . ?
C38 H38 0.9500 . ?
C46 C47 1.549(7) . ?
C46 C45 1.394(7) . ?
C29 H29 0.9500 . ?
C29 C30 1.371(7) . ?
C24 C25 1.529(7) . ?
C24 C26 1.534(7) . ?
C24 C27 1.508(8) . ?
C20 C22 1.514(7) . ?
C20 C21 1.530(7) . ?
C20 C23 1.526(7) . ?
C4 C3 1.364(6) . ?
C55 C58 1.537(8) . ?
C55 C56 1.535(7) . ?
C55 C57 1.518(8) . ?
C47 C49 1.521(10) . ?
C47 C53 1.558(10) . ?
C47 C51 1.482(10) . ?
C47 C54 1.499(13) . ?
C47 C50 1.567(13) . ?
C47 C48 1.452(12) . ?
C2 C3 1.362(7) . ?
C2 C1 1.470(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.365(8) . ?
C32 C31 1.372(7) . ?
C30 C31 1.374(7) . ?
C3 H3 0.9500 . ?
C45 H45 0.9500 . ?
C40 H40 0.9500 . ?
C40 C41 1.382(7) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C43 H43 0.9500 . ?
C43 C42 1.375(7) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 H31 0.9500 . ?
C41 H41 0.9500 . ?
C41 C42 1.369(7) . ?
C42 H42 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.369(8) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C16 H16 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C1 H1 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
O1 Pt1 O2 91.58(12) . . ?
N1 Pt1 O2 92.71(13) . . ?
N1 Pt1 O1 174.70(14) . . ?
C6 Pt1 O2 173.37(15) . . ?
C6 Pt1 O1 94.65(15) . . ?
C6 Pt1 N1 81.19(16) . . ?
O3 Pt2 O4 91.58(13) . . ?
N3 Pt2 O3 174.77(14) . . ?
N3 Pt2 O4 92.71(13) . . ?
C28 Pt2 O3 94.43(17) . . ?
C28 Pt2 O4 172.81(16) . . ?
C28 Pt2 N3 81.51(17) . . ?
C17 O2 Pt1 124.8(3) . . ?
C46 O3 Pt2 124.6(3) . . ?
C19 O1 Pt1 124.9(3) . . ?
C44 O4 Pt2 125.0(3) . . ?
C7 N1 Pt1 117.8(3) . . ?
C11 N1 Pt1 122.7(3) . . ?
C11 N1 C7 119.5(4) . . ?
C34 N3 Pt2 117.6(3) . . ?
C38 N3 Pt2 123.1(3) . . ?
C38 N3 C34 119.3(4) . . ?
C43 N4 C39 118.1(4) . . ?
N1 C7 C5 111.3(4) . . ?
N1 C7 C8 120.4(4) . . ?
C8 C7 C5 128.4(4) . . ?
C5 C6 Pt1 115.1(3) . . ?
C5 C6 C1 124.0(4) . . ?
C1 C6 Pt1 120.9(3) . . ?
N3 C34 C35 119.5(4) . . ?
N3 C34 C33 111.5(4) . . ?
C35 C34 C33 129.1(4) . . ?
C36 C37 H37 120.0 . . ?
C38 C37 H37 120.0 . . ?
C38 C37 C36 120.1(4) . . ?
C33 C28 Pt2 114.2(3) . . ?
C29 C28 Pt2 126.4(4) . . ?
C29 C28 C33 119.3(4) . . ?
C34 C35 H35 119.3 . . ?
C34 C35 C36 121.4(4) . . ?
C36 C35 H35 119.3 . . ?
C28 C33 C34 115.2(4) . . ?
C32 C33 C34 126.3(4) . . ?
C32 C33 C28 118.5(4) . . ?
C52 C13 H13 120.4 . . ?
C14 C13 H13 120.4 . . ?
C14 C13 C52 119.2(5) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C9 C10 C11 120.8(4) . . ?
N1 C11 C10 121.2(4) . . ?
N1 C11 H11 119.4 . . ?
C10 C11 H11 119.4 . . ?
C6 C5 C7 114.6(4) . . ?
C4 C5 C7 126.2(4) . . ?
C4 C5 C6 119.2(4) . . ?
C10 C9 C8 117.2(4) . . ?
C10 C9 C52 119.4(4) . . ?
C8 C9 C52 123.3(4) . . ?
C7 C8 C9 120.8(4) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C19 C18 H18 116.3 . . ?
C19 C18 C17 127.5(4) . . ?
C17 C18 H18 116.3 . . ?
C37 C36 C35 116.9(4) . . ?
C37 C36 C39 120.1(4) . . ?
C35 C36 C39 123.1(4) . . ?
O1 C19 C18 126.3(4) . . ?
O1 C19 C20 114.8(4) . . ?
C18 C19 C20 118.9(4) . . ?
O4 C44 C55 114.1(4) . . ?
O4 C44 C45 124.3(5) . . ?
C45 C44 C55 121.6(4) . . ?
C52 N2 C16 117.6(5) . . ?
N4 C39 C36 115.2(4) . . ?
N4 C39 C40 121.4(5) . . ?
C40 C39 C36 123.4(4) . . ?
C13 C52 C9 122.8(4) . . ?
N2 C52 C13 121.6(4) . . ?
N2 C52 C9 115.6(4) . . ?
O2 C17 C18 124.9(4) . . ?
O2 C17 C24 113.3(4) . . ?
C18 C17 C24 121.8(4) . . ?
N3 C38 C37 122.9(4) . . ?
N3 C38 H38 118.6 . . ?
C37 C38 H38 118.6 . . ?
O3 C46 C47 113.5(5) . . ?
O3 C46 C45 127.1(5) . . ?
C45 C46 C47 119.4(5) . . ?
C28 C29 H29 120.9 . . ?
C30 C29 C28 118.3(5) . . ?
C30 C29 H29 120.9 . . ?
C25 C24 C17 113.5(4) . . ?
C25 C24 C26 109.1(4) . . ?
C26 C24 C17 106.4(4) . . ?
C27 C24 C17 108.0(4) . . ?
C27 C24 C25 108.9(5) . . ?
C27 C24 C26 111.0(5) . . ?
C22 C20 C19 110.5(4) . . ?
C22 C20 C21 109.1(5) . . ?
C22 C20 C23 108.9(4) . . ?
C21 C20 C19 107.5(4) . . ?
C23 C20 C19 110.4(4) . . ?
C23 C20 C21 110.5(5) . . ?
F2 C4 C5 120.1(4) . . ?
C3 C4 F2 117.2(4) . . ?
C3 C4 C5 122.7(4) . . ?
C44 C55 C58 105.7(4) . . ?
C44 C55 C56 113.7(5) . . ?
C56 C55 C58 109.2(5) . . ?
C57 C55 C44 110.7(4) . . ?
C57 C55 C58 108.5(5) . . ?
C57 C55 C56 108.8(5) . . ?
C46 C47 C53 109.4(6) . . ?
C46 C47 C50 111.5(9) . . ?
C49 C47 C46 109.4(6) . . ?
C49 C47 C53 105.0(8) . . ?
C51 C47 C46 110.6(6) . . ?
C51 C47 C49 112.1(9) . . ?
C51 C47 C53 110.2(9) . . ?
C54 C47 C46 110.8(8) . . ?
C54 C47 C50 98.5(14) . . ?
C48 C47 C46 109.3(9) . . ?
C48 C47 C54 120.4(16) . . ?
C48 C47 C50 105.6(17) . . ?
F1 C2 C1 112.8(4) . . ?
C3 C2 F1 118.2(4) . . ?
C3 C2 C1 129.0(4) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 C13 119.2(5) . . ?
C15 C14 H14 120.4 . . ?
F4 C32 C33 119.8(4) . . ?
F4 C32 C31 117.2(4) . . ?
C31 C32 C33 123.0(5) . . ?
F3 C30 C29 117.8(5) . . ?
F3 C30 C31 117.5(4) . . ?
C29 C30 C31 124.7(5) . . ?
C4 C3 H3 121.6 . . ?
C2 C3 C4 116.7(4) . . ?
C2 C3 H3 121.6 . . ?
C44 C45 H45 116.4 . . ?
C46 C45 C44 127.1(5) . . ?
C46 C45 H45 116.4 . . ?
C39 C40 H40 120.2 . . ?
C41 C40 C39 119.7(5) . . ?
C41 C40 H40 120.2 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N4 C43 H43 118.5 . . ?
N4 C43 C42 123.1(5) . . ?
C42 C43 H43 118.5 . . ?
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 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C32 C31 C30 116.1(5) . . ?
C32 C31 H31 121.9 . . ?
C30 C31 H31 121.9 . . ?
C40 C41 H41 120.6 . . ?
C42 C41 C40 118.8(5) . . ?
C42 C41 H41 120.6 . . ?
C43 C42 H42 120.5 . . ?
C41 C42 C43 118.9(5) . . ?
C41 C42 H42 120.5 . . ?
C14 C15 H15 120.8 . . ?
C14 C15 C16 118.3(5) . . ?
C16 C15 H15 120.8 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C16 C15 124.0(5) . . ?
N2 C16 H16 118.0 . . ?
C15 C16 H16 118.0 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C47 C49 H49A 109.5 . . ?
C47 C49 H49B 109.5 . . ?
C47 C49 H49C 109.5 . . ?
H49A C49 H49B 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C47 C53 H53A 109.5 . . ?
C47 C53 H53B 109.5 . . ?
C47 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51B 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C54 H54A 109.5 . . ?
C47 C54 H54B 109.5 . . ?
C47 C54 H54C 109.5 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C47 C50 H50A 109.5 . . ?
C47 C50 H50B 109.5 . . ?
C47 C50 H50C 109.5 . . ?
H50A C50 H50B 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C47 C48 H48A 109.5 . . ?
C47 C48 H48B 109.5 . . ?
C47 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C6 C1 C2 108.3(4) . . ?
C6 C1 H1 125.8 . . ?
C2 C1 H1 125.8 . . ?

_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_0918chonfpt_0m
_database_code_depnum_ccdc_archive 'CCDC 1965377'
loop_
_audit_author_name
_audit_author_address
'zhaoran hao'
;xiangtan university
China
;
_audit_update_record             
;
2019-11-13 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_audit_creation_date             2019-09-19
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C27 H28 F2 N2 O2 Pt'
_chemical_formula_sum            'C27 H28 F2 N2 O2 Pt'
_chemical_formula_weight         645.60
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.5300(2)
_cell_length_b                   11.9914(3)
_cell_length_c                   21.2884(5)
_cell_angle_alpha                90
_cell_angle_beta                 98.3840(10)
_cell_angle_gamma                90
_cell_volume                     2406.80(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2578
_cell_measurement_temperature    172
_cell_measurement_theta_max      25.558
_cell_measurement_theta_min      2.297
_shelx_estimated_absorpt_T_max   0.564
_shelx_estimated_absorpt_T_min   0.358
_exptl_absorpt_coefficient_mu    5.873
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6645
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1693 before and 0.0698 after correction. The Ratio of minimum to maximum transmission is 0.8915. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.782
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0553
_diffrn_reflns_av_unetI/netI     0.0383
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27280
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.400
_diffrn_reflns_theta_min         2.748
_diffrn_ambient_temperature      172.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4235
_reflns_number_total             4911
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.574
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.104
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4911
_refine_ls_number_restraints     39
_refine_ls_R_factor_all          0.0320
_refine_ls_R_factor_gt           0.0233
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+2.0222P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0443
_refine_ls_wR_factor_ref         0.0479
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C27-C25 \\sim C30-C25 \\sim C26-C25 \\sim C29-C25 \\sim C31-C25 \\sim C28-C25
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(C29) \\sim Ueq, Uanis(C30) \\sim Ueq, Uanis(C27) \\sim Ueq, Uanis(C31)
\\sim Ueq: with sigma of 0.005 and sigma for terminal atoms of 0.01
4. Others
 Fixed Sof: C26(0.6) H26A(0.6) H26B(0.6) H26C(0.6) C31(0.4) H31A(0.4)
 H31B(0.4) H31C(0.4) C28(0.6) H28A(0.6) H28B(0.6) H28C(0.6) C27(0.6) H27A(0.6)
 H27B(0.6) H27C(0.6) C29(0.4) H29A(0.4) H29B(0.4) H29C(0.4) C30(0.4) H30A(0.4)
 H30B(0.4) H30C(0.4)
5.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C9(H9), C16(H16), C19(H19), C10(H10), C8(H8), C6(H6), C14(H14),
 C5(H5), C7(H7)
5.b Idealised Me refined as rotating group:
 C21(H21A,H21B,H21C), C24(H24A,H24B,H24C), C23(H23A,H23B,H23C), C26(H26A,H26B,
 H26C), C31(H31A,H31B,H31C), C28(H28A,H28B,H28C), C27(H27A,H27B,H27C), C29(H29A,
 H29B,H29C), C30(H30A,H30B,H30C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt1 Pt 0.53451(2) 0.64170(2) 0.60329(2) 0.02119(5) Uani 1 1 d . . . . .
O1 O 0.4302(2) 0.67768(19) 0.67558(10) 0.0254(5) Uani 1 1 d . . . . .
O2 O 0.6423(2) 0.5115(2) 0.65273(10) 0.0269(5) Uani 1 1 d . . . . .
F2 F 0.4732(3) 0.8704(2) 0.39268(10) 0.0539(7) Uani 1 1 d . . . . .
N1 N 0.6201(3) 0.6125(2) 0.52496(13) 0.0230(6) Uani 1 1 d . . . . .
F1 F 0.2196(3) 1.0094(2) 0.54727(11) 0.0592(7) Uani 1 1 d . . . . .
C17 C 0.4481(4) 0.7663(3) 0.55223(15) 0.0261(8) Uani 1 1 d . . . . .
C11 C 0.5817(4) 0.6847(3) 0.47527(16) 0.0253(8) Uani 1 1 d . . . . .
C2 C 0.7669(3) 0.5082(3) 0.46408(15) 0.0244(7) Uani 1 1 d . . . . .
C12 C 0.4865(4) 0.7723(3) 0.49075(16) 0.0264(8) Uani 1 1 d . . . . .
C1 C 0.7099(3) 0.5285(3) 0.51931(15) 0.0236(7) Uani 1 1 d . . . . .
H1 H 0.735735 0.480664 0.554684 0.028 Uiso 1 1 calc R . . . .
N2 N 0.9387(3) 0.4215(3) 0.40830(14) 0.0370(8) Uani 1 1 d . . . . .
C9 C 0.7263(4) 0.5792(3) 0.41299(16) 0.0314(8) Uani 1 1 d . . . . .
H9 H 0.762053 0.567707 0.374114 0.038 Uiso 1 1 calc R . . . .
C18 C 0.4339(3) 0.6184(3) 0.72628(16) 0.0234(7) Uani 1 1 d . . . . .
C25 C 0.7264(4) 0.3923(3) 0.73832(16) 0.0297(8) Uani 1 1 d D . . . .
C20 C 0.6243(3) 0.4821(3) 0.70863(16) 0.0252(8) Uani 1 1 d . . . . .
C13 C 0.4324(4) 0.8596(3) 0.45148(16) 0.0351(9) Uani 1 1 d . . . . .
C16 C 0.3584(4) 0.8479(3) 0.57137(17) 0.0325(8) Uani 1 1 d . . . . .
H16 H 0.332505 0.846237 0.612795 0.039 Uiso 1 1 calc R . . . .
C3 C 0.8686(3) 0.4160(3) 0.45901(16) 0.0280(8) Uani 1 1 d . . . . .
C19 C 0.5227(4) 0.5277(3) 0.74251(16) 0.0281(8) Uani 1 1 d . . . . .
H19 H 0.513359 0.492241 0.781576 0.034 Uiso 1 1 calc R . . . .
C10 C 0.6343(4) 0.6661(3) 0.41861(16) 0.0300(8) Uani 1 1 d . . . . .
H10 H 0.606517 0.713783 0.383355 0.036 Uiso 1 1 calc R . . . .
C15 C 0.3084(4) 0.9302(3) 0.52925(18) 0.0391(9) Uani 1 1 d . . . . .
C22 C 0.3307(4) 0.6548(3) 0.77070(16) 0.0259(8) Uani 1 1 d . . . . .
C8 C 0.8917(4) 0.3303(3) 0.50258(18) 0.0340(9) Uani 1 1 d . . . . .
H8 H 0.841641 0.328378 0.538034 0.041 Uiso 1 1 calc R . . . .
C6 C 1.0591(4) 0.2520(4) 0.44286(19) 0.0421(10) Uani 1 1 d . . . . .
H6 H 1.125269 0.195772 0.435768 0.051 Uiso 1 1 calc R . . . .
C14 C 0.3438(5) 0.9395(3) 0.46892(18) 0.0424(10) Uani 1 1 d . . . . .
H14 H 0.308410 0.998178 0.441071 0.051 Uiso 1 1 calc R . . . .
C5 C 1.0319(4) 0.3405(4) 0.4016(2) 0.0448(11) Uani 1 1 d . . . . .
H5 H 1.082395 0.344277 0.366320 0.054 Uiso 1 1 calc R . . . .
C7 C 0.9883(4) 0.2471(4) 0.49427(19) 0.0403(10) Uani 1 1 d . . . . .
H7 H 1.005122 0.187515 0.523843 0.048 Uiso 1 1 calc R . . . .
C21 C 0.2587(5) 0.7642(4) 0.7487(2) 0.0470(11) Uani 1 1 d . . . . .
H21A H 0.330196 0.823134 0.749821 0.071 Uiso 1 1 calc GR . . . .
H21B H 0.190033 0.784130 0.776937 0.071 Uiso 1 1 calc GR . . . .
H21C H 0.209394 0.755687 0.705256 0.071 Uiso 1 1 calc GR . . . .
C24 C 0.2177(4) 0.5649(4) 0.7709(2) 0.0535(12) Uani 1 1 d . . . . .
H24A H 0.172064 0.551116 0.727259 0.080 Uiso 1 1 calc GR . . . .
H24B H 0.146388 0.589829 0.796620 0.080 Uiso 1 1 calc GR . . . .
H24C H 0.261968 0.495969 0.788812 0.080 Uiso 1 1 calc GR . . . .
C23 C 0.4069(5) 0.6704(4) 0.83844(19) 0.0570(14) Uani 1 1 d . . . . .
H23A H 0.451592 0.600076 0.853828 0.085 Uiso 1 1 calc GR . . . .
H23B H 0.338184 0.693045 0.866074 0.085 Uiso 1 1 calc GR . . . .
H23C H 0.479688 0.728258 0.838837 0.085 Uiso 1 1 calc GR . . . .
C26 C 0.8748(6) 0.4405(6) 0.7438(4) 0.050(2) Uani 0.6 1 d D . P A 1
H26A H 0.898528 0.454593 0.701241 0.076 Uiso 0.6 1 calc GR . P A 1
H26B H 0.942795 0.387336 0.766029 0.076 Uiso 0.6 1 calc GR . P A 1
H26C H 0.878933 0.510559 0.767652 0.076 Uiso 0.6 1 calc GR . P A 1
C31 C 0.6480(10) 0.2941(8) 0.7629(5) 0.039(2) Uani 0.4 1 d D U P A 2
H31A H 0.591856 0.320527 0.795039 0.059 Uiso 0.4 1 calc GR . P A 2
H31B H 0.716873 0.238537 0.781923 0.059 Uiso 0.4 1 calc GR . P A 2
H31C H 0.584878 0.260094 0.727630 0.059 Uiso 0.4 1 calc GR . P A 2
C28 C 0.7096(8) 0.2890(6) 0.6986(4) 0.050(2) Uani 0.6 1 d D . P A 1
H28A H 0.614093 0.258533 0.698378 0.075 Uiso 0.6 1 calc GR . P A 1
H28B H 0.780082 0.233573 0.716236 0.075 Uiso 0.6 1 calc GR . P A 1
H28C H 0.723591 0.307099 0.655017 0.075 Uiso 0.6 1 calc GR . P A 1
C27 C 0.7027(8) 0.3627(7) 0.8074(3) 0.054(2) Uani 0.6 1 d D U P A 1
H27A H 0.703304 0.431288 0.832543 0.081 Uiso 0.6 1 calc GR . P A 1
H27B H 0.778865 0.313300 0.826785 0.081 Uiso 0.6 1 calc GR . P A 1
H27C H 0.611140 0.325076 0.806385 0.081 Uiso 0.6 1 calc GR . P A 1
C29 C 0.8094(12) 0.3400(10) 0.6867(5) 0.048(3) Uani 0.4 1 d D U P A 2
H29A H 0.741600 0.308837 0.652121 0.072 Uiso 0.4 1 calc GR . P A 2
H29B H 0.871950 0.280595 0.706076 0.072 Uiso 0.4 1 calc GR . P A 2
H29C H 0.866178 0.397853 0.669894 0.072 Uiso 0.4 1 calc GR . P A 2
C30 C 0.8314(13) 0.4454(11) 0.7889(6) 0.059(3) Uani 0.4 1 d D U P A 2
H30A H 0.882256 0.504837 0.770075 0.088 Uiso 0.4 1 calc GR . P A 2
H30B H 0.899281 0.389025 0.807775 0.088 Uiso 0.4 1 calc GR . P A 2
H30C H 0.781317 0.476867 0.821835 0.088 Uiso 0.4 1 calc GR . 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
Pt1 O1 1.997(2) . ?
Pt1 O2 2.070(2) . ?
Pt1 N1 1.991(3) . ?
Pt1 C17 1.957(3) . ?
O1 C18 1.289(4) . ?
O2 C20 1.276(4) . ?
F2 C13 1.370(4) . ?
N1 C11 1.375(4) . ?
N1 C1 1.339(4) . ?
F1 C15 1.364(4) . ?
C17 C12 1.411(5) . ?
C17 C16 1.398(5) . ?
C11 C12 1.456(5) . ?
C11 C10 1.390(5) . ?
C2 C1 1.387(4) . ?
C2 C9 1.391(5) . ?
C2 C3 1.484(5) . ?
C12 C13 1.391(5) . ?
C1 H1 0.9500 . ?
N2 C3 1.351(4) . ?
N2 C5 1.338(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.378(5) . ?
C18 C19 1.390(5) . ?
C18 C22 1.524(5) . ?
C25 C20 1.525(5) . ?
C25 C26 1.516(7) . ?
C25 C31 1.528(9) . ?
C25 C28 1.496(7) . ?
C25 C27 1.562(7) . ?
C25 C29 1.574(9) . ?
C25 C30 1.501(9) . ?
C20 C19 1.400(5) . ?
C13 C14 1.364(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.372(5) . ?
C3 C8 1.380(5) . ?
C19 H19 0.9500 . ?
C10 H10 0.9500 . ?
C15 C14 1.379(5) . ?
C22 C21 1.522(5) . ?
C22 C24 1.524(5) . ?
C22 C23 1.528(5) . ?
C8 H8 0.9500 . ?
C8 C7 1.387(5) . ?
C6 H6 0.9500 . ?
C6 C5 1.378(6) . ?
C6 C7 1.368(6) . ?
C14 H14 0.9500 . ?
C5 H5 0.9500 . ?
C7 H7 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 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
O1 Pt1 O2 92.12(9) . . ?
N1 Pt1 O1 173.69(10) . . ?
N1 Pt1 O2 93.43(10) . . ?
C17 Pt1 O1 92.67(12) . . ?
C17 Pt1 O2 174.56(11) . . ?
C17 Pt1 N1 81.93(13) . . ?
C18 O1 Pt1 124.8(2) . . ?
C20 O2 Pt1 123.9(2) . . ?
C11 N1 Pt1 116.0(2) . . ?
C1 N1 Pt1 123.6(2) . . ?
C1 N1 C11 120.5(3) . . ?
C12 C17 Pt1 114.1(3) . . ?
C16 C17 Pt1 126.7(3) . . ?
C16 C17 C12 119.2(3) . . ?
N1 C11 C12 112.6(3) . . ?
N1 C11 C10 118.5(3) . . ?
C10 C11 C12 128.9(3) . . ?
C1 C2 C9 117.2(3) . . ?
C1 C2 C3 122.2(3) . . ?
C9 C2 C3 120.6(3) . . ?
C17 C12 C11 115.3(3) . . ?
C13 C12 C17 118.1(3) . . ?
C13 C12 C11 126.5(3) . . ?
N1 C1 C2 122.9(3) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C5 N2 C3 117.6(4) . . ?
C2 C9 H9 119.9 . . ?
C10 C9 C2 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
O1 C18 C19 125.5(3) . . ?
O1 C18 C22 114.8(3) . . ?
C19 C18 C22 119.6(3) . . ?
C20 C25 C31 111.8(4) . . ?
C20 C25 C27 112.3(4) . . ?
C20 C25 C29 110.3(5) . . ?
C26 C25 C20 107.1(4) . . ?
C26 C25 C27 106.0(5) . . ?
C31 C25 C29 104.6(7) . . ?
C28 C25 C20 109.9(4) . . ?
C28 C25 C26 112.4(5) . . ?
C28 C25 C27 109.1(5) . . ?
C30 C25 C20 108.5(5) . . ?
C30 C25 C31 112.9(7) . . ?
C30 C25 C29 108.6(8) . . ?
O2 C20 C25 114.6(3) . . ?
O2 C20 C19 124.7(3) . . ?
C19 C20 C25 120.6(3) . . ?
F2 C13 C12 119.4(3) . . ?
C14 C13 F2 116.9(3) . . ?
C14 C13 C12 123.7(3) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 C17 118.8(3) . . ?
C15 C16 H16 120.6 . . ?
N2 C3 C2 115.2(3) . . ?
N2 C3 C8 121.6(3) . . ?
C8 C3 C2 123.2(3) . . ?
C18 C19 C20 128.3(3) . . ?
C18 C19 H19 115.9 . . ?
C20 C19 H19 115.9 . . ?
C11 C10 H10 119.6 . . ?
C9 C10 C11 120.7(3) . . ?
C9 C10 H10 119.6 . . ?
F1 C15 C16 119.2(3) . . ?
F1 C15 C14 116.9(4) . . ?
C16 C15 C14 123.9(4) . . ?
C18 C22 C23 111.1(3) . . ?
C21 C22 C18 111.0(3) . . ?
C21 C22 C24 108.8(3) . . ?
C21 C22 C23 108.4(3) . . ?
C24 C22 C18 108.6(3) . . ?
C24 C22 C23 108.9(3) . . ?
C3 C8 H8 120.2 . . ?
C3 C8 C7 119.6(4) . . ?
C7 C8 H8 120.2 . . ?
C5 C6 H6 120.8 . . ?
C7 C6 H6 120.8 . . ?
C7 C6 C5 118.3(4) . . ?
C13 C14 C15 116.3(4) . . ?
C13 C14 H14 121.9 . . ?
C15 C14 H14 121.9 . . ?
N2 C5 C6 123.9(4) . . ?
N2 C5 H5 118.1 . . ?
C6 C5 H5 118.1 . . ?
C8 C7 H7 120.5 . . ?
C6 C7 C8 119.0(4) . . ?
C6 C7 H7 120.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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 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 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C31 H31A 109.5 . . ?
C25 C31 H31B 109.5 . . ?
C25 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C25 C29 H29A 109.5 . . ?
C25 C29 H29B 109.5 . . ?
C25 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?

_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_08303_0m
_database_code_depnum_ccdc_archive 'CCDC 1965378'
loop_
_audit_author_name
_audit_author_address
'zhaoran hao'
;xiangtan university
China
;
_audit_update_record             
;
2019-11-13 deposited with the CCDC.	2020-06-04 downloaded from the CCDC.
;
_audit_creation_date             2019-08-30
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C38 H46 F2 N2 O4 Pt2, C H2 Cl2'
_chemical_formula_sum            'C39 H48 Cl2 F2 N2 O4 Pt2'
_chemical_formula_weight         1107.87
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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/n 1'
_space_group_name_Hall           '-P 2yn'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   16.1719(4)
_cell_length_b                   9.6253(3)
_cell_length_c                   25.1680(7)
_cell_angle_alpha                90
_cell_angle_beta                 91.4210(10)
_cell_angle_gamma                90
_cell_volume                     3916.43(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9820
_cell_measurement_temperature    173
_cell_measurement_theta_max      26.391
_cell_measurement_theta_min      2.462
_shelx_estimated_absorpt_T_max   0.559
_shelx_estimated_absorpt_T_min   0.369
_exptl_absorpt_coefficient_mu    7.324
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.3540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1166 before and 0.0569 after correction. The Ratio of minimum to maximum transmission is 0.4749. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2144
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0512
_diffrn_reflns_av_unetI/netI     0.0387
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            42795
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.463
_diffrn_reflns_theta_min         2.265
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7065
_reflns_number_total             8033
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.981
_refine_diff_density_min         -1.269
_refine_diff_density_rms         0.123
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     472
_refine_ls_number_reflns         8033
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0244
_refine_ls_restrained_S_all      1.008
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0283P)²+0.6886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0550
_refine_ls_wR_factor_ref         0.0583
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C39(H39A,H39B)
2.b Aromatic/amide H refined with riding coordinates:
 C11(H11), C16(H16), C8(H8), C18(H18), C29(H29), C3(H3), C15(H15), C13(H13),
 C14(H14), C1(H1)
2.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C36(H36A,H36B,
 H36C), C37(H37A,H37B,H37C), C34(H34A,H34B,H34C), C33(H33A,H33B,H33C), C27(H27A,
 H27B,H27C), C26(H26A,H26B,H26C), C32(H32A,H32B,H32C), C25(H25A,H25B,H25C),
 C38(H38A,H38B,H38C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Pt2 Pt 0.38170(2) 0.08613(2) 0.56961(2) 0.02023(5) Uani 1 1 d . . . . .
Pt1 Pt 0.32324(2) 0.49074(2) 0.38810(2) 0.01951(5) Uani 1 1 d . . . . .
Cl1 Cl 0.79150(7) 0.26944(13) 0.44261(5) 0.0492(3) Uani 1 1 d . . . . .
Cl2 Cl 0.86301(8) 0.26612(14) 0.54937(5) 0.0531(3) Uani 1 1 d . . . . .
O1 O 0.26775(16) 0.6119(2) 0.33330(10) 0.0261(6) Uani 1 1 d . . . . .
F2 F 0.64456(14) 0.4979(2) 0.41543(9) 0.0311(5) Uani 1 1 d . . . . .
O3 O 0.26101(15) 0.1301(3) 0.56566(10) 0.0251(6) Uani 1 1 d . . . . .
O2 O 0.21039(15) 0.3936(3) 0.40321(10) 0.0246(6) Uani 1 1 d . . . . .
O4 O 0.36552(16) -0.0473(3) 0.63281(10) 0.0267(6) Uani 1 1 d . . . . .
F1 F 0.54158(15) 0.8045(3) 0.28638(9) 0.0435(6) Uani 1 1 d . . . . .
N2 N 0.50369(19) 0.0590(3) 0.57319(11) 0.0222(7) Uani 1 1 d . . . . .
N1 N 0.39220(18) 0.3817(3) 0.44126(11) 0.0198(6) Uani 1 1 d . . . . .
C10 C 0.4114(2) 0.2148(3) 0.51212(13) 0.0192(7) Uani 1 1 d . . . . .
C5 C 0.4988(2) 0.5050(4) 0.39851(14) 0.0219(8) Uani 1 1 d . . . . .
C12 C 0.5491(2) 0.1427(4) 0.54087(14) 0.0224(8) Uani 1 1 d . . . . .
C4 C 0.4318(2) 0.5667(4) 0.37073(14) 0.0217(8) Uani 1 1 d . . . . .
C7 C 0.4761(2) 0.4007(3) 0.43772(14) 0.0209(8) Uani 1 1 d . . . . .
C11 C 0.3618(2) 0.2937(3) 0.47747(13) 0.0200(7) Uani 1 1 d . . . . .
H11 H 0.303459 0.284787 0.479523 0.024 Uiso 1 1 calc R . . . .
C30 C 0.1930(2) 0.6011(4) 0.31570(14) 0.0212(8) Uani 1 1 d . . . . .
C19 C 0.2091(2) 0.0954(4) 0.60176(14) 0.0224(8) Uani 1 1 d . . . . .
C16 C 0.5427(2) -0.0298(4) 0.60663(15) 0.0261(8) Uani 1 1 d . . . . .
H16 H 0.510883 -0.086879 0.629156 0.031 Uiso 1 1 calc R . . . .
C28 C 0.1462(2) 0.4063(4) 0.37324(15) 0.0233(8) Uani 1 1 d . . . . .
C8 C 0.5292(2) 0.3227(4) 0.46974(14) 0.0222(8) Uani 1 1 d . . . . .
H8 H 0.587370 0.332256 0.466737 0.027 Uiso 1 1 calc R . . . .
C18 C 0.2259(2) 0.0114(4) 0.64536(15) 0.0241(8) Uani 1 1 d . . . . .
H18 H 0.181888 -0.000279 0.669305 0.029 Uiso 1 1 calc R . . . .
C29 C 0.1362(2) 0.5025(4) 0.33199(15) 0.0244(8) Uani 1 1 d . . . . .
H29 H 0.084782 0.500138 0.312914 0.029 Uiso 1 1 calc R . . . .
C9 C 0.4970(2) 0.2302(4) 0.50632(13) 0.0217(8) Uani 1 1 d . . . . .
C17 C 0.2989(2) -0.0580(4) 0.65852(14) 0.0238(8) Uani 1 1 d . . . . .
C20 C 0.1233(2) 0.1565(4) 0.59077(14) 0.0236(8) Uani 1 1 d . . . . .
C3 C 0.4469(2) 0.6681(4) 0.33262(15) 0.0280(9) Uani 1 1 d . . . . .
H3 H 0.402522 0.711034 0.313400 0.034 Uiso 1 1 calc R . . . .
C15 C 0.6276(3) -0.0398(4) 0.60897(15) 0.0299(9) Uani 1 1 d . . . . .
H15 H 0.653905 -0.104406 0.632377 0.036 Uiso 1 1 calc R . . . .
C13 C 0.6340(2) 0.1364(4) 0.54252(15) 0.0278(8) Uani 1 1 d . . . . .
H13 H 0.665171 0.194782 0.520083 0.033 Uiso 1 1 calc R . . . .
C6 C 0.5783(2) 0.5508(4) 0.38785(15) 0.0243(8) Uani 1 1 d . . . . .
C2 C 0.5275(2) 0.7045(4) 0.32352(14) 0.0282(9) Uani 1 1 d . . . . .
C14 C 0.6741(2) 0.0447(4) 0.57703(16) 0.0305(9) Uani 1 1 d . . . . .
H14 H 0.732840 0.040160 0.578633 0.037 Uiso 1 1 calc R . . . .
C1 C 0.5944(2) 0.6489(4) 0.34983(14) 0.0251(8) Uani 1 1 d . . . . .
H1 H 0.649271 0.676615 0.342256 0.030 Uiso 1 1 calc R . . . .
C35 C 0.0761(2) 0.3070(4) 0.38668(15) 0.0274(8) Uani 1 1 d . . . . .
C23 C 0.0870(3) 0.0822(4) 0.54183(16) 0.0343(10) Uani 1 1 d . . . . .
H23A H 0.124778 0.092233 0.512205 0.051 Uiso 1 1 calc GR . . . .
H23B H 0.033362 0.123378 0.532035 0.051 Uiso 1 1 calc GR . . . .
H23C H 0.079710 -0.016559 0.549880 0.051 Uiso 1 1 calc GR . . . .
C21 C 0.1325(3) 0.3129(4) 0.58021(18) 0.0375(10) Uani 1 1 d . . . . .
H21A H 0.153097 0.359134 0.612596 0.056 Uiso 1 1 calc GR . . . .
H21B H 0.078521 0.351925 0.569685 0.056 Uiso 1 1 calc GR . . . .
H21C H 0.171573 0.327403 0.551612 0.056 Uiso 1 1 calc GR . . . .
C31 C 0.1712(2) 0.7121(4) 0.27412(15) 0.0247(8) Uani 1 1 d . . . . .
C22 C 0.0637(3) 0.1364(5) 0.63663(16) 0.0355(10) Uani 1 1 d . . . . .
H22A H 0.053633 0.036937 0.641798 0.053 Uiso 1 1 calc GR . . . .
H22B H 0.011290 0.183322 0.628116 0.053 Uiso 1 1 calc GR . . . .
H22C H 0.088209 0.175926 0.669264 0.053 Uiso 1 1 calc GR . . . .
C24 C 0.3058(2) -0.1536(4) 0.70741(14) 0.0264(8) Uani 1 1 d . . . . .
C36 C 0.0418(3) 0.3538(5) 0.44001(18) 0.0396(11) Uani 1 1 d . . . . .
H36A H 0.086803 0.357376 0.466774 0.059 Uiso 1 1 calc GR . . . .
H36B H -0.000361 0.287664 0.451333 0.059 Uiso 1 1 calc GR . . . .
H36C H 0.016984 0.446211 0.436038 0.059 Uiso 1 1 calc GR . . . .
C37 C 0.1133(3) 0.1602(4) 0.39226(18) 0.0374(10) Uani 1 1 d . . . . .
H37A H 0.135891 0.131321 0.358221 0.056 Uiso 1 1 calc GR . . . .
H37B H 0.070019 0.094821 0.402536 0.056 Uiso 1 1 calc GR . . . .
H37C H 0.157522 0.160926 0.419573 0.056 Uiso 1 1 calc GR . . . .
C34 C 0.0865(3) 0.6898(5) 0.24695(16) 0.0355(10) Uani 1 1 d . . . . .
H34A H 0.083806 0.595959 0.231908 0.053 Uiso 1 1 calc GR . . . .
H34B H 0.078513 0.758274 0.218476 0.053 Uiso 1 1 calc GR . . . .
H34C H 0.043097 0.700883 0.273083 0.053 Uiso 1 1 calc GR . . . .
C33 C 0.2371(3) 0.7133(5) 0.23145(16) 0.0380(10) Uani 1 1 d . . . . .
H33A H 0.291416 0.731290 0.248113 0.057 Uiso 1 1 calc GR . . . .
H33B H 0.224132 0.786320 0.205421 0.057 Uiso 1 1 calc GR . . . .
H33C H 0.237799 0.622936 0.213498 0.057 Uiso 1 1 calc GR . . . .
C27 C 0.2230(3) -0.1884(5) 0.7308(2) 0.0566(15) Uani 1 1 d . . . . .
H27A H 0.194220 -0.102304 0.739814 0.085 Uiso 1 1 calc GR . . . .
H27B H 0.231685 -0.244515 0.762905 0.085 Uiso 1 1 calc GR . . . .
H27C H 0.189564 -0.240841 0.704709 0.085 Uiso 1 1 calc GR . . . .
C39 C 0.8165(3) 0.3673(5) 0.49899(19) 0.0461(12) Uani 1 1 d . . . . .
H39A H 0.765547 0.410275 0.512551 0.055 Uiso 1 1 calc R . . . .
H39B H 0.854665 0.442934 0.489223 0.055 Uiso 1 1 calc R . . . .
C26 C 0.3510(3) -0.2869(4) 0.69243(18) 0.0485(13) Uani 1 1 d . . . . .
H26A H 0.318319 -0.337104 0.665288 0.073 Uiso 1 1 calc GR . . . .
H26B H 0.358299 -0.345646 0.724002 0.073 Uiso 1 1 calc GR . . . .
H26C H 0.405190 -0.263517 0.678388 0.073 Uiso 1 1 calc GR . . . .
C32 C 0.1708(3) 0.8524(4) 0.30264(18) 0.0415(11) Uani 1 1 d . . . . .
H32A H 0.127954 0.852327 0.329478 0.062 Uiso 1 1 calc GR . . . .
H32B H 0.159373 0.926499 0.276769 0.062 Uiso 1 1 calc GR . . . .
H32C H 0.224957 0.868407 0.319943 0.062 Uiso 1 1 calc GR . . . .
C25 C 0.3578(4) -0.0747(5) 0.74907(19) 0.0533(14) Uani 1 1 d . . . . .
H25A H 0.412787 -0.056325 0.735173 0.080 Uiso 1 1 calc GR . . . .
H25B H 0.363167 -0.130705 0.781479 0.080 Uiso 1 1 calc GR . . . .
H25C H 0.330687 0.013597 0.757249 0.080 Uiso 1 1 calc GR . . . .
C38 C 0.0050(3) 0.3051(6) 0.3455(2) 0.0596(16) Uani 1 1 d . . . . .
H38A H -0.016583 0.399558 0.340610 0.089 Uiso 1 1 calc GR . . . .
H38B H -0.039210 0.244411 0.357894 0.089 Uiso 1 1 calc GR . . . .
H38C H 0.025108 0.270246 0.311605 0.089 Uiso 1 1 calc GR . . . .


_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
Pt2 O3 1.997(2) . ?
Pt2 O4 2.066(2) . ?
Pt2 N2 1.990(3) . ?
Pt2 C10 1.973(3) . ?
Pt1 O1 2.002(2) . ?
Pt1 O2 2.094(2) . ?
Pt1 N1 2.015(3) . ?
Pt1 C4 1.961(4) . ?
Cl1 C39 1.742(5) . ?
Cl2 C39 1.753(5) . ?
O1 C30 1.281(4) . ?
F2 C6 1.361(4) . ?
O3 C19 1.296(4) . ?
O2 C28 1.274(4) . ?
O4 C17 1.275(4) . ?
F1 C2 1.365(4) . ?
N2 C12 1.372(5) . ?
N2 C16 1.345(5) . ?
N1 C7 1.374(5) . ?
N1 C11 1.346(4) . ?
C10 C11 1.394(5) . ?
C10 C9 1.405(5) . ?
C5 C4 1.407(5) . ?
C5 C7 1.461(5) . ?
C5 C6 1.392(5) . ?
C12 C9 1.463(5) . ?
C12 C13 1.373(5) . ?
C4 C3 1.394(5) . ?
C7 C8 1.385(5) . ?
C11 H11 0.9500 . ?
C30 C29 1.391(5) . ?
C30 C31 1.530(5) . ?
C19 C18 1.384(5) . ?
C19 C20 1.526(5) . ?
C16 H16 0.9500 . ?
C16 C15 1.376(6) . ?
C28 C29 1.397(5) . ?
C28 C35 1.527(5) . ?
C8 H8 0.9500 . ?
C8 C9 1.390(5) . ?
C18 H18 0.9500 . ?
C18 C17 1.389(5) . ?
C29 H29 0.9500 . ?
C17 C24 1.538(5) . ?
C20 C23 1.529(5) . ?
C20 C21 1.536(5) . ?
C20 C22 1.534(5) . ?
C3 H3 0.9500 . ?
C3 C2 1.374(5) . ?
C15 H15 0.9500 . ?
C15 C14 1.381(6) . ?
C13 H13 0.9500 . ?
C13 C14 1.388(6) . ?
C6 C1 1.374(5) . ?
C2 C1 1.365(5) . ?
C14 H14 0.9500 . ?
C1 H1 0.9500 . ?
C35 C36 1.533(6) . ?
C35 C37 1.541(6) . ?
C35 C38 1.529(6) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C31 C34 1.530(5) . ?
C31 C33 1.531(5) . ?
C31 C32 1.530(5) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C24 C27 1.512(6) . ?
C24 C26 1.529(5) . ?
C24 C25 1.530(6) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 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
O3 Pt2 O4 91.59(10) . . ?
N2 Pt2 O3 175.32(11) . . ?
N2 Pt2 O4 91.59(11) . . ?
C10 Pt2 O3 94.92(12) . . ?
C10 Pt2 O4 173.03(13) . . ?
C10 Pt2 N2 81.77(13) . . ?
O1 Pt1 O2 90.42(10) . . ?
O1 Pt1 N1 172.84(11) . . ?
N1 Pt1 O2 96.74(11) . . ?
C4 Pt1 O1 91.01(13) . . ?
C4 Pt1 O2 174.97(12) . . ?
C4 Pt1 N1 81.87(13) . . ?
C30 O1 Pt1 126.5(2) . . ?
C19 O3 Pt2 124.0(2) . . ?
C28 O2 Pt1 123.4(2) . . ?
C17 O4 Pt2 124.4(2) . . ?
C12 N2 Pt2 116.2(2) . . ?
C16 N2 Pt2 124.1(3) . . ?
C16 N2 C12 119.6(3) . . ?
C7 N1 Pt1 114.7(2) . . ?
C11 N1 Pt1 124.9(2) . . ?
C11 N1 C7 120.4(3) . . ?
C11 C10 Pt2 130.8(3) . . ?
C11 C10 C9 115.5(3) . . ?
C9 C10 Pt2 113.6(3) . . ?
C4 C5 C7 115.0(3) . . ?
C6 C5 C4 118.3(3) . . ?
C6 C5 C7 126.6(4) . . ?
N2 C12 C9 112.4(3) . . ?
N2 C12 C13 120.4(3) . . ?
C13 C12 C9 127.1(3) . . ?
C5 C4 Pt1 114.5(3) . . ?
C3 C4 Pt1 126.0(3) . . ?
C3 C4 C5 119.4(3) . . ?
N1 C7 C5 113.6(3) . . ?
N1 C7 C8 119.3(3) . . ?
C8 C7 C5 127.1(3) . . ?
N1 C11 C10 123.5(3) . . ?
N1 C11 H11 118.3 . . ?
C10 C11 H11 118.3 . . ?
O1 C30 C29 125.3(3) . . ?
O1 C30 C31 112.3(3) . . ?
C29 C30 C31 122.4(3) . . ?
O3 C19 C18 126.1(3) . . ?
O3 C19 C20 112.0(3) . . ?
C18 C19 C20 121.9(3) . . ?
N2 C16 H16 119.2 . . ?
N2 C16 C15 121.5(4) . . ?
C15 C16 H16 119.2 . . ?
O2 C28 C29 125.5(3) . . ?
O2 C28 C35 114.0(3) . . ?
C29 C28 C35 120.4(3) . . ?
C7 C8 H8 120.1 . . ?
C7 C8 C9 119.7(3) . . ?
C9 C8 H8 120.1 . . ?
C19 C18 H18 115.9 . . ?
C19 C18 C17 128.2(3) . . ?
C17 C18 H18 115.9 . . ?
C30 C29 C28 127.3(4) . . ?
C30 C29 H29 116.3 . . ?
C28 C29 H29 116.3 . . ?
C10 C9 C12 115.6(3) . . ?
C8 C9 C10 121.5(3) . . ?
C8 C9 C12 122.9(3) . . ?
O4 C17 C18 124.4(3) . . ?
O4 C17 C24 114.1(3) . . ?
C18 C17 C24 121.5(3) . . ?
C19 C20 C23 107.1(3) . . ?
C19 C20 C21 108.6(3) . . ?
C19 C20 C22 113.6(3) . . ?
C23 C20 C21 110.8(3) . . ?
C23 C20 C22 108.2(3) . . ?
C22 C20 C21 108.6(3) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 C4 118.5(4) . . ?
C2 C3 H3 120.8 . . ?
C16 C15 H15 120.3 . . ?
C16 C15 C14 119.5(4) . . ?
C14 C15 H15 120.3 . . ?
C12 C13 H13 120.1 . . ?
C12 C13 C14 119.9(4) . . ?
C14 C13 H13 120.1 . . ?
F2 C6 C5 120.2(3) . . ?
F2 C6 C1 116.9(3) . . ?
C1 C6 C5 123.0(4) . . ?
F1 C2 C3 118.0(4) . . ?
C1 C2 F1 117.7(3) . . ?
C1 C2 C3 124.3(3) . . ?
C15 C14 C13 119.0(4) . . ?
C15 C14 H14 120.5 . . ?
C13 C14 H14 120.5 . . ?
C6 C1 H1 121.8 . . ?
C2 C1 C6 116.5(3) . . ?
C2 C1 H1 121.8 . . ?
C28 C35 C36 107.3(3) . . ?
C28 C35 C37 107.7(3) . . ?
C28 C35 C38 114.0(3) . . ?
C36 C35 C37 109.8(3) . . ?
C38 C35 C36 108.3(4) . . ?
C38 C35 C37 109.6(4) . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C30 C31 C33 109.4(3) . . ?
C34 C31 C30 113.4(3) . . ?
C34 C31 C33 108.5(3) . . ?
C32 C31 C30 107.4(3) . . ?
C32 C31 C34 108.7(3) . . ?
C32 C31 C33 109.5(3) . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C27 C24 C17 113.3(3) . . ?
C27 C24 C26 110.0(4) . . ?
C27 C24 C25 108.7(4) . . ?
C26 C24 C17 109.3(3) . . ?
C26 C24 C25 109.1(4) . . ?
C25 C24 C17 106.2(3) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37B 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33B 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Cl1 C39 Cl2 112.1(3) . . ?
Cl1 C39 H39A 109.2 . . ?
Cl1 C39 H39B 109.2 . . ?
Cl2 C39 H39A 109.2 . . ?
Cl2 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
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 . . ?
C35 C38 H38A 109.5 . . ?
C35 C38 H38B 109.5 . . ?
C35 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
