# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_KPtMe10CB[5]
_database_code_depnum_ccdc_archive 'CCDC 1915754'
loop_
_audit_author_name
_audit_author_address
'ruru chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-05-13 deposited with the CCDC.	2019-09-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/4
_shelx_SHELXL_version_number     2016/4
_chemical_name_systematic        KPtMe10CB[5]
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C20 H24 Cl3 K N10 O5.73 Pt0.50'
_chemical_formula_weight         739.10

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           11
_space_group_name_H-M_alt        'P 21/m'
_space_group_name_Hall           '-P 2yb'

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

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

_cell_length_a                   11.03561(15)
_cell_length_b                   15.2027(2)
_cell_length_c                   15.7225(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.7852(12)
_cell_angle_gamma                90
_cell_volume                     2632.02(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    10564
_cell_measurement_theta_min      3.86
_cell_measurement_theta_max      71.956

_exptl_crystal_description       prism
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.865
_exptl_crystal_F_000             1475
_exptl_transmission_factor_min   0.1
_exptl_transmission_factor_max   0.1
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_exptl_absorpt_coefficient_mu    9.894
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  Supernova
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10678
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_av_R_equivalents  0.0205
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         4.015
_diffrn_reflns_theta_max         71.956
_diffrn_reflns_theta_full        67.684
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             5254
_reflns_number_gt                4929
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/4 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0834P)²+4.3186P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5254
_refine_ls_number_parameters     385
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0399
_refine_ls_wR_factor_ref         0.1207
_refine_ls_wR_factor_gt          0.1179
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.093
_refine_ls_shift/su_max          0.051
_refine_ls_shift/su_mean         0.002

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
PT01 Pt 0.00052(2) 0.250000 0.25554(2) 0.00831(11) Uani 1 2 d S T P . .
CL3 Cl -0.19350(11) 0.250000 0.30240(8) 0.0160(3) Uani 1 2 d S T P . .
CL2 Cl -0.07846(12) 0.250000 0.11518(8) 0.0163(3) Uani 1 2 d S T P . .
K1 K 0.27951(12) 0.250000 0.55493(8) 0.0209(3) Uani 1 2 d S T P . .
CL1 Cl 0.07616(13) 0.250000 0.39730(8) 0.0185(3) Uani 1 2 d S T P A .
CL5 Cl -0.00098(7) 0.09700(8) 0.25303(6) 0.0226(3) Uani 1 1 d . . . . .
CL4 Cl 0.19802(12) 0.250000 0.21059(10) 0.0204(3) Uani 1 2 d S T P . .
K2 K 0.73402(14) 0.250000 0.93853(10) 0.0276(3) Uani 1 2 d S T P . .
O4 O 0.6291(2) 0.40833(17) 0.92775(15) 0.0123(5) Uani 1 1 d . . . . .
O5 O 0.5033(3) 0.250000 1.0114(2) 0.0126(7) Uani 1 2 d S T P A .
O8 O 0.1691(3) 0.250000 0.6987(2) 0.0121(7) Uani 1 2 d S T P A .
O6 O 0.4758(2) 0.34699(17) 0.52172(15) 0.0127(5) Uani 1 1 d . . . . .
O7 O 0.2676(2) 0.42145(17) 0.62607(15) 0.0135(5) Uani 1 1 d . . . . .
N6 N 0.4274(3) 0.5007(2) 0.68867(19) 0.0115(6) Uani 1 1 d . . . . .
N4 N 0.7429(3) 0.4504(2) 0.72417(19) 0.0126(7) Uani 1 1 d . . . . .
N5 N 0.5765(3) 0.4940(2) 0.80991(19) 0.0104(6) Uani 1 1 d . . . . .
N10 N 0.1938(3) 0.3233(2) 0.8270(2) 0.0127(7) Uani 1 1 d . . . . .
N8 N 0.4317(3) 0.4505(2) 0.89269(19) 0.0100(6) Uani 1 1 d . . . . .
N1 N 0.8264(3) 0.3301(2) 0.6730(2) 0.0157(7) Uani 1 1 d . . . . .
N7 N 0.2851(3) 0.4538(2) 0.77019(19) 0.0129(7) Uani 1 1 d . . . . .
N2 N 0.6819(3) 0.3305(2) 0.5498(2) 0.0141(7) Uani 1 1 d . . . . .
N3 N 0.5893(3) 0.4441(2) 0.6064(2) 0.0125(7) Uani 1 1 d . . . . .
N9 N 0.3340(3) 0.3228(2) 0.9529(2) 0.0119(7) Uani 1 1 d . . . . .
C21 C 0.5525(3) 0.4460(2) 0.8807(2) 0.0090(7) Uani 1 1 d . . . . .
C15 C 0.8062(3) 0.3761(3) 0.7463(2) 0.0129(4) Uani 1 1 d . . . . .
C22 C 0.4682(3) 0.5376(2) 0.7714(2) 0.0107(7) Uani 1 1 d . . . . .
C23 C 0.3209(3) 0.4547(2) 0.6888(2) 0.0107(7) Uani 1 1 d . . . . .
C28 C 0.3825(3) 0.4104(2) 0.9668(2) 0.0112(7) Uani 1 1 d . . . . .
H28A H 0.446112 0.407930 1.012374 0.013 Uiso 1 1 calc R U . . .
H28B H 0.318538 0.447928 0.985777 0.013 Uiso 1 1 calc R U . . .
C19 C 0.7009(3) 0.5096(2) 0.7881(2) 0.0130(7) Uani 1 1 d . . . . .
H19A H 0.707159 0.569495 0.767680 0.016 Uiso 1 1 calc R U . . .
H19B H 0.754201 0.504162 0.839420 0.016 Uiso 1 1 calc R U . . .
C14 C 0.5722(3) 0.3707(2) 0.5569(2) 0.0102(7) Uani 1 1 d . . . . .
C26 C 0.3638(3) 0.5056(2) 0.8295(2) 0.0108(7) Uani 1 1 d . . . . .
C20 C 0.4924(3) 0.5074(2) 0.6123(2) 0.0109(7) Uani 1 1 d . . . . .
H20A H 0.526519 0.566106 0.609531 0.013 Uiso 1 1 calc R U . . .
H20B H 0.435161 0.500260 0.563315 0.013 Uiso 1 1 calc R U . . .
C16 C 0.7173(3) 0.4598(3) 0.6322(2) 0.0129(4) Uani 1 1 d . U . . .
C25 C 0.2940(4) 0.5786(3) 0.8701(2) 0.0155(8) Uani 1 1 d . . . . .
H25A H 0.233459 0.553530 0.903877 0.023 Uiso 1 1 calc R U . . .
H25B H 0.255356 0.614919 0.826258 0.023 Uiso 1 1 calc R U . . .
H25C H 0.348972 0.613695 0.905707 0.023 Uiso 1 1 calc R U . . .
C24 C 0.4847(4) 0.6365(3) 0.7667(3) 0.0193(8) Uani 1 1 d . . . . .
H24A H 0.548958 0.649769 0.730428 0.029 Uiso 1 1 calc R U . . .
H24B H 0.505049 0.659169 0.822805 0.029 Uiso 1 1 calc R U . . .
H24C H 0.410657 0.663058 0.743883 0.029 Uiso 1 1 calc R U . . .
C27 C 0.1743(3) 0.4101(2) 0.7908(2) 0.0122(7) Uani 1 1 d . . . . .
H27A H 0.121064 0.405146 0.739385 0.015 Uiso 1 1 calc R U . . .
H27B H 0.133312 0.446201 0.830935 0.015 Uiso 1 1 calc R U . . .
C29 C 0.4006(4) 0.250000 0.9759(3) 0.0096(9) Uani 1 2 d S T P . .
C31 C 0.2109(3) 0.3024(2) 0.9175(2) 0.0106(6) Uani 1 1 d . . . . .
C17 C 0.7599(4) 0.5484(3) 0.6000(2) 0.0170(8) Uani 1 1 d . . . . .
H17A H 0.718498 0.594861 0.627622 0.026 Uiso 1 1 calc R U . . .
H17B H 0.742171 0.552083 0.539522 0.026 Uiso 1 1 calc R U . . .
H17C H 0.845838 0.554123 0.612637 0.026 Uiso 1 1 calc R U . . .
C13 C 0.6913(5) 0.250000 0.5011(3) 0.0151(11) Uani 1 2 d S T P . .
H13A H 0.627816 0.250000 0.455420 0.018 Uiso 1 2 calc R U P . .
H13B H 0.768650 0.250001 0.475157 0.018 Uiso 1 2 calc R U P . .
C11 C 0.7828(3) 0.3764(3) 0.5961(2) 0.0129(4) Uani 1 1 d . U . . .
C32 C 0.1149(4) 0.3453(3) 0.9684(2) 0.0197(8) Uani 1 1 d . . . . .
H32A H 0.035851 0.332966 0.941926 0.029 Uiso 1 1 calc R U . . .
H32B H 0.127695 0.407765 0.970125 0.029 Uiso 1 1 calc R U . . .
H32C H 0.120338 0.322369 1.025437 0.029 Uiso 1 1 calc R U . . .
C18 C 0.8845(4) 0.3959(3) 0.5380(3) 0.0260(10) Uani 1 1 d . . . . .
H18A H 0.947686 0.428162 0.569136 0.039 Uiso 1 1 calc R U . . .
H18B H 0.853104 0.430157 0.490254 0.039 Uiso 1 1 calc R U . . .
H18C H 0.916776 0.341581 0.518061 0.039 Uiso 1 1 calc R U . . .
C30 C 0.1850(4) 0.250000 0.7766(3) 0.0106(6) Uani 1 2 d S T P . .
C1 C 0.8977(4) 0.250000 0.6771(4) 0.0163(11) Uani 1 2 d S T P . .
O3 O 0.8427(2) 0.35433(19) 0.81855(16) 0.0164(6) Uani 1 1 d . . . . .
O1 O 0.5449(12) 0.250000 0.7755(8) 0.059(4) Uani 0.647(19) 2 d S T P A 1
O2 O 0.4823(17) 0.250000 0.7257(13) 0.050(6) Uani 0.353(19) 2 d S T P A 2
O9 O 0.0398(13) 0.4933(10) 1.0852(9) 0.034(5) Uiso 0.228(11) 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
PT01 CL3 2.3099(12) . ?
PT01 CL2 2.3185(12) . ?
PT01 CL5 2.3264(12) 4_565 ?
PT01 CL5 2.3264(12) . ?
PT01 CL1 2.3279(12) . ?
PT01 CL4 2.3353(13) . ?
CL2 K2 3.352(2) 1_454 ?
K1 O8 2.637(4) . ?
K1 O6 2.700(3) . ?
K1 O6 2.700(3) 4_565 ?
K1 O7 2.843(3) . ?
K1 O7 2.843(3) 4_565 ?
K1 CL1 3.2318(18) . ?
K1 O2 3.38(2) . ?
K2 O4 2.671(3) . ?
K2 O4 2.671(3) 4_565 ?
K2 O3 2.795(3) 4_565 ?
K2 O3 2.795(3) . ?
K2 O5 2.860(4) . ?
K2 O1 3.197(14) . ?
K2 CL2 3.352(2) 1_656 ?
O4 C21 1.228(4) . ?
O5 C29 1.230(6) . ?
O8 C30 1.226(6) . ?
O6 C14 1.221(4) . ?
O7 C23 1.224(4) . ?
N6 C23 1.367(5) . ?
N6 C20 1.442(5) . ?
N6 C22 1.460(4) . ?
N4 C15 1.361(5) . ?
N4 C19 1.448(5) . ?
N4 C16 1.461(4) . ?
N5 C21 1.371(5) . ?
N5 C19 1.456(5) . ?
N5 C22 1.463(4) . ?
N10 C30 1.367(4) . ?
N10 C27 1.448(5) . ?
N10 C31 1.458(4) . ?
N8 C21 1.360(5) . ?
N8 C28 1.452(4) . ?
N8 C26 1.467(4) . ?
N1 C15 1.378(5) . ?
N1 C1 1.448(4) . ?
N1 C11 1.453(5) . ?
N7 C23 1.365(4) . ?
N7 C27 1.447(5) . ?
N7 C26 1.462(5) . ?
N2 C14 1.368(5) . ?
N2 C13 1.450(4) . ?
N2 C11 1.467(5) . ?
N3 C14 1.365(5) . ?
N3 C20 1.446(5) . ?
N3 C16 1.464(4) . ?
N9 C29 1.364(4) . ?
N9 C28 1.447(5) . ?
N9 C31 1.467(5) . ?
C15 O3 1.226(4) . ?
C22 C24 1.517(6) . ?
C22 C26 1.594(5) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C26 C25 1.515(5) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C16 C17 1.524(5) . ?
C16 C11 1.584(5) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C29 N9 1.364(4) 4_565 ?
C31 C32 1.517(5) . ?
C31 C31 1.593(7) 4_565 ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C13 N2 1.450(4) 4_565 ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C11 C18 1.522(5) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C30 N10 1.367(4) 4_565 ?
C1 N1 1.448(4) 4_565 ?

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
CL3 PT01 CL2 90.32(4) . . ?
CL3 PT01 CL5 89.98(2) . 4_565 ?
CL2 PT01 CL5 88.97(2) . 4_565 ?
CL3 PT01 CL5 89.98(2) . . ?
CL2 PT01 CL5 88.97(2) . . ?
CL5 PT01 CL5 177.94(4) 4_565 . ?
CL3 PT01 CL1 88.62(5) . . ?
CL2 PT01 CL1 178.94(4) . . ?
CL5 PT01 CL1 91.03(2) 4_565 . ?
CL5 PT01 CL1 91.03(2) . . ?
CL3 PT01 CL4 179.01(4) . . ?
CL2 PT01 CL4 90.67(5) . . ?
CL5 PT01 CL4 90.03(2) 4_565 . ?
CL5 PT01 CL4 90.03(2) . . ?
CL1 PT01 CL4 90.39(5) . . ?
PT01 CL2 K2 164.01(6) . 1_454 ?
O8 K1 O6 125.99(8) . . ?
O8 K1 O6 125.99(8) . 4_565 ?
O6 K1 O6 66.21(11) . 4_565 ?
O8 K1 O7 68.09(6) . . ?
O6 K1 O7 68.52(8) . . ?
O6 K1 O7 129.46(8) 4_565 . ?
O8 K1 O7 68.09(6) . 4_565 ?
O6 K1 O7 129.46(8) . 4_565 ?
O6 K1 O7 68.52(8) 4_565 4_565 ?
O7 K1 O7 132.95(11) . 4_565 ?
O8 K1 CL1 108.70(9) . . ?
O6 K1 CL1 112.15(7) . . ?
O6 K1 CL1 112.15(7) 4_565 . ?
O7 K1 CL1 104.71(6) . . ?
O7 K1 CL1 104.71(6) 4_565 . ?
O8 K1 O2 68.8(3) . . ?
O6 K1 O2 69.9(3) . . ?
O6 K1 O2 69.9(3) 4_565 . ?
O7 K1 O2 74.50(11) . . ?
O7 K1 O2 74.50(11) 4_565 . ?
CL1 K1 O2 177.5(3) . . ?
PT01 CL1 K1 157.11(6) . . ?
O4 K2 O4 128.59(12) . 4_565 ?
O4 K2 O3 132.22(9) . 4_565 ?
O4 K2 O3 69.46(8) 4_565 4_565 ?
O4 K2 O3 69.46(8) . . ?
O4 K2 O3 132.22(9) 4_565 . ?
O3 K2 O3 69.16(12) 4_565 . ?
O4 K2 O5 68.41(6) . . ?
O4 K2 O5 68.41(6) 4_565 . ?
O3 K2 O5 134.70(8) 4_565 . ?
O3 K2 O5 134.70(8) . . ?
O4 K2 O1 72.06(9) . . ?
O4 K2 O1 72.06(9) 4_565 . ?
O3 K2 O1 75.24(19) 4_565 . ?
O3 K2 O1 75.24(19) . . ?
O5 K2 O1 76.7(2) . . ?
O4 K2 CL2 107.08(6) . 1_656 ?
O4 K2 CL2 107.08(6) 4_565 1_656 ?
O3 K2 CL2 106.88(7) 4_565 1_656 ?
O3 K2 CL2 106.88(7) . 1_656 ?
O5 K2 CL2 100.66(8) . 1_656 ?
O1a K2 CL2 177.4(2) . 1_656 ?
C21 O4 K2 137.4(2) . . ?
C29 O5 K2 129.5(3) . . ?
C30 O8 K1 144.3(3) . . ?
C14 O6 K1 139.5(2) . . ?
C23 O7 K1 131.6(2) . . ?
C23 N6 C20 120.8(3) . . ?
C23 N6 C22 114.2(3) . . ?
C20 N6 C22 124.9(3) . . ?
C15 N4 C19 121.4(3) . . ?
C15 N4 C16 113.3(3) . . ?
C19 N4 C16 125.2(3) . . ?
C21 N5 C19 120.9(3) . . ?
C21 N5 C22 112.4(3) . . ?
C19 N5 C22 125.9(3) . . ?
C30 N10 C27 120.8(3) . . ?
C30 N10 C31 112.8(3) . . ?
C27 N10 C31 126.1(3) . . ?
C21 N8 C28 120.8(3) . . ?
C21 N8 C26 113.4(3) . . ?
C28 N8 C26 125.5(3) . . ?
C15 N1 C1 120.5(4) . . ?
C15 N1 C11 112.7(3) . . ?
C1 N1 C11 126.4(4) . . ?
C23 N7 C27 121.1(3) . . ?
C23 N7 C26 113.3(3) . . ?
C27 N7 C26 125.4(3) . . ?
C14 N2 C13 121.0(4) . . ?
C14 N2 C11 113.2(3) . . ?
C13 N2 C11 125.8(4) . . ?
C14 N3 C20 120.4(3) . . ?
C14 N3 C16 112.7(3) . . ?
C20 N3 C16 125.2(3) . . ?
C29 N9 C28 121.3(3) . . ?
C29 N9 C31 113.5(3) . . ?
C28 N9 C31 125.2(3) . . ?
O4 C21 N8 125.6(3) . . ?
O4 C21 N5 125.1(3) . . ?
N8 C21 N5 109.2(3) . . ?
O3 C15 N4 126.3(4) . . ?
O3 C15 N1 125.2(4) . . ?
N4 C15 N1 108.5(3) . . ?
N6 C22 N5 113.0(3) . . ?
N6 C22 C24 111.7(3) . . ?
N5 C22 C24 111.8(3) . . ?
N6 C22 C26 101.6(3) . . ?
N5 C22 C26 103.1(3) . . ?
C24 C22 C26 115.1(3) . . ?
O7 C23 N7 126.7(3) . . ?
O7 C23 N6 125.3(3) . . ?
N7 C23 N6 108.0(3) . . ?
N9 C28 N8 114.8(3) . . ?
N9 C28 H28A 108.6 . . ?
N8 C28 H28A 108.6 . . ?
N9 C28 H28B 108.6 . . ?
N8 C28 H28B 108.6 . . ?
H28A C28 H28B 107.5 . . ?
N4 C19 N5 114.3(3) . . ?
N4 C19 H19A 108.7 . . ?
N5 C19 H19A 108.7 . . ?
N4 C19 H19B 108.7 . . ?
N5 C19 H19B 108.7 . . ?
H19A C19 H19B 107.6 . . ?
O6 C14 N3 125.6(3) . . ?
O6 C14 N2 125.5(3) . . ?
N3 C14 N2 108.9(3) . . ?
N7 C26 N8 112.3(3) . . ?
N7 C26 C25 111.5(3) . . ?
N8 C26 C25 112.6(3) . . ?
N7 C26 C22 102.7(3) . . ?
N8 C26 C22 101.9(3) . . ?
C25 C26 C22 115.1(3) . . ?
N6 C20 N3 114.6(3) . . ?
N6 C20 H20A 108.6 . . ?
N3 C20 H20A 108.6 . . ?
N6 C20 H20B 108.6 . . ?
N3 C20 H20B 108.6 . . ?
H20A C20 H20B 107.6 . . ?
N4 C16 N3 112.3(3) . . ?
N4 C16 C17 111.8(3) . . ?
N3 C16 C17 111.4(3) . . ?
N4 C16 C11 102.3(3) . . ?
N3 C16 C11 103.0(3) . . ?
C17 C16 C11 115.5(3) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C26 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N7 C27 N10 113.6(3) . . ?
N7 C27 H27A 108.8 . . ?
N10 C27 H27A 108.8 . . ?
N7 C27 H27B 108.9 . . ?
N10 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
O5 C29 N9 125.8(2) . . ?
O5 C29 N9 125.8(2) . 4_565 ?
N9 C29 N9 108.5(4) . 4_565 ?
N10 C31 N9 112.4(3) . . ?
N10 C31 C32 111.8(3) . . ?
N9 C31 C32 111.7(3) . . ?
N10 C31 C31 102.6(2) . 4_565 ?
N9 C31 C31 102.21(19) . 4_565 ?
C32 C31 C31 115.5(2) . 4_565 ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N2 C13 N2 115.1(4) 4_565 . ?
N2 C13 H13A 108.5 4_565 . ?
N2 C13 H13A 108.5 . . ?
N2 C13 H13B 108.5 4_565 . ?
N2 C13 H13B 108.5 . . ?
H13A C13 H13B 107.5 . . ?
N1 C11 N2 112.4(3) . . ?
N1 C11 C18 112.1(3) . . ?
N2 C11 C18 111.1(3) . . ?
N1 C11 C16 102.9(3) . . ?
N2 C11 C16 102.1(3) . . ?
C18 C11 C16 115.6(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C11 C18 H18A 109.5 . . ?
C11 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C11 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O8 C30 N10 125.4(2) . . ?
O8 C30 N10 125.4(2) . 4_565 ?
N10 C30 N10 109.2(4) . 4_565 ?
N1 C1 N1 114.4(4) . 4_565 ?
C15 O3 K2 130.5(2) . . ?

_refine_diff_density_max         2.080
_refine_diff_density_min         -2.160
_refine_diff_density_rms         0.188

####################################################################### 
# 
# 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_CsPtMe10CB[5]
_database_code_depnum_ccdc_archive 'CCDC 1921936'
loop_
_audit_author_name
_audit_author_address
'ruru chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-10 deposited with the CCDC.	2019-09-02 downloaded from the CCDC.
;
_audit_creation_date             2019-06-10
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            CsPtMe10CB[5]
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         '0.25(C160 H200 Cl24 Cs8 N80 O40 Pt4), O'
_chemical_formula_sum            'C40 H50 Cl6 Cs2 N20 O11 Pt'
_chemical_formula_weight         1660.61
_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'
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'
Cs Cs -0.3680 2.1192 '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                   14.84367(18)
_cell_length_b                   16.62572(18)
_cell_length_c                   22.0332(3)
_cell_angle_alpha                90
_cell_angle_beta                 93.4334(11)
_cell_angle_gamma                90
_cell_volume                     5427.74(11)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    120
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.6
_cell_measurement_theta_min      3.1
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.279
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.604
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.032
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0473
_diffrn_reflns_av_unetI/netI     0.0366
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.924
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            43008
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.924
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.581
_diffrn_reflns_theta_min         3.072
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.924
_diffrn_measurement_device_type  supernova
_diffrn_measurement_method       'φ and ω scans'
_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                6225
_reflns_number_total             7054
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.864
_refine_diff_density_min         -1.473
_refine_diff_density_rms         0.142
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     390
_refine_ls_number_reflns         7054
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0272
_refine_ls_restrained_S_all      1.059
_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)+(0.0132P)²+26.4617P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0557
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C0BA(H0BA,H0BB), C2BA(H2BA,H2BB), C7AA(H7AA,H7AB), C9AA(H9AA,H9AB), C1AA(H1AA,
 H1AB)
2.b Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C30(H30A,H30B,H30C), C1(H1A,H1B,H1C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.000000 0.500000 0.500000 0.00930(4) Uani 1 2 d S T P . .
Cl3 Cl 0.96048(5) 0.52847(5) 0.59833(4) 0.01897(16) Uani 1 1 d . . . . .
Cl4 Cl 1.11278(5) 0.59749(4) 0.50710(4) 0.01529(15) Uani 1 1 d . . . . .
Cl5 Cl 0.90113(5) 0.59832(5) 0.46307(4) 0.01821(16) Uani 1 1 d . . . . .
O29 O 0.61617(14) 0.38197(13) 0.89086(10) 0.0149(4) Uani 1 1 d . . . . .
O O 0.41965(13) 0.57079(13) 0.57964(9) 0.0127(4) Uani 1 1 d . . . . .
O3AA O 0.27547(13) 0.39027(12) 0.72636(9) 0.0123(4) Uani 1 1 d . . . . .
O1AA O 0.32729(14) 0.68411(13) 0.66837(10) 0.0136(4) Uani 1 1 d . . . . .
O2AA O 0.23125(14) 0.57047(12) 0.76364(9) 0.0139(4) Uani 1 1 d . . . . .
N22 N 0.32061(16) 0.38162(14) 0.82801(11) 0.0107(5) Uani 1 1 d . . . . .
N8 N 0.46070(16) 0.38307(15) 0.89196(11) 0.0106(5) Uani 1 1 d . . . . .
N18 N 0.31771(16) 0.64946(14) 0.83064(11) 0.0105(5) Uani 1 1 d . . . . .
N6 N 0.47473(16) 0.29885(15) 0.67051(11) 0.0110(5) Uani 1 1 d . . . . .
N20 N 0.29454(16) 0.52160(14) 0.85465(11) 0.0099(5) Uani 1 1 d . . . . .
C38 C 0.5552(2) 0.86394(17) 0.69833(14) 0.0143(6) Uani 1 1 d . . . . .
H38A H 0.501718 0.894684 0.688020 0.021 Uiso 1 1 calc GR . . . .
H38B H 0.589588 0.858219 0.663043 0.021 Uiso 1 1 calc GR . . . .
H38C H 0.590940 0.891134 0.729766 0.021 Uiso 1 1 calc GR . . . .
N16 N 0.39240(16) 0.73344(15) 0.75848(11) 0.0111(5) Uani 1 1 d . . . . .
N24 N 0.38951(16) 0.30525(14) 0.76182(11) 0.0103(5) Uani 1 1 d . . . . .
N12 N 0.54341(16) 0.65126(14) 0.60458(12) 0.0115(5) Uani 1 1 d . . . . .
N10 N 0.43431(16) 0.52250(15) 0.91773(12) 0.0109(5) Uani 1 1 d . . . . .
C0BA C 0.31396(19) 0.72033(17) 0.79299(14) 0.0104(6) Uani 1 1 d . . . . .
H0BA H 0.305963 0.766845 0.818698 0.012 Uiso 1 1 calc R . . . .
H0BB H 0.261277 0.716636 0.764883 0.012 Uiso 1 1 calc R . . . .
C32 C 0.34262(19) 0.55313(17) 0.90954(13) 0.0088(5) Uani 1 1 d . . . . .
C5AA C 0.50086(19) 0.58025(17) 0.58890(13) 0.0102(6) Uani 1 1 d . . . . .
C1BA C 0.5419(2) 0.35766(17) 0.87213(13) 0.0104(6) Uani 1 1 d . . . . .
C2BA C 0.4582(2) 0.44276(17) 0.93954(13) 0.0106(6) Uani 1 1 d . . . . .
H2BA H 0.517078 0.445100 0.961130 0.013 Uiso 1 1 calc R . . . .
H2BB H 0.414955 0.425936 0.968284 0.013 Uiso 1 1 calc R . . . .
C6AA C 0.27678(19) 0.57941(17) 0.81101(13) 0.0102(6) Uani 1 1 d . . . . .
C3AA C 0.64172(19) 0.64496(17) 0.60764(13) 0.0096(6) Uani 1 1 d . . . . .
C7AA C 0.4021(2) 0.26661(18) 0.70353(13) 0.0115(6) Uani 1 1 d . . . . .
H7AA H 0.413138 0.209771 0.710544 0.014 Uiso 1 1 calc R . . . .
H7AB H 0.346436 0.271397 0.678355 0.014 Uiso 1 1 calc R . . . .
C4AA C 0.39033(19) 0.71513(17) 0.69771(14) 0.0104(6) Uani 1 1 d . . . . .
C14 N 0.47017(16) 0.73980(15) 0.67543(11) 0.0111(5) Uani 1 1 d . . . . .
C8AA C 0.3243(2) 0.36262(17) 0.76781(13) 0.0104(6) Uani 1 1 d . . . . .
C9AA C 0.25691(19) 0.44119(17) 0.84785(14) 0.0110(6) Uani 1 1 d . . . . .
H9AA H 0.205455 0.443036 0.818586 0.013 Uiso 1 1 calc R . . . .
H9AB H 0.235238 0.424266 0.886503 0.013 Uiso 1 1 calc R . . . .
C0AA C 0.57008(19) 0.27778(17) 0.67952(13) 0.0100(6) Uani 1 1 d . . . . .
C36 C 0.2894(2) 0.5397(2) 0.96542(15) 0.0139(6) Uani 1 1 d . . . . .
C1AA C 0.4907(2) 0.72407(17) 0.61287(13) 0.0109(6) Uani 1 1 d . . . . .
H1AA H 0.523675 0.769628 0.597929 0.013 Uiso 1 1 calc R . . . .
H1AB H 0.434448 0.719834 0.588300 0.013 Uiso 1 1 calc R . . . .
C C 0.61616(19) 0.33521(17) 0.63250(14) 0.0102(6) Uani 1 1 d . . . . .
C30 C 0.6638(2) 0.29305(18) 0.58208(14) 0.0148(6) Uani 1 1 d . . . . .
H30A H 0.687775 0.332519 0.555637 0.022 Uiso 1 1 calc GR . . . .
H30B H 0.621503 0.259482 0.559195 0.022 Uiso 1 1 calc GR . . . .
H30C H 0.712080 0.260579 0.599612 0.022 Uiso 1 1 calc GR . . . .
C31 C 0.5857(2) 0.18874(18) 0.67002(16) 0.0146(6) Uani 1 1 d . . . . .
C2AA C 0.52883(19) 0.78117(17) 0.72078(13) 0.0102(6) Uani 1 1 d . . . . .
O0AA O 0.500000 0.5195(5) 0.750000 0.133(3) Uani 1 2 d S T P . .
Cs1 Cs 0.24777(2) 0.51811(2) 0.63247(2) 0.01366(5) Uani 1 1 d . . . . .
C1 C 0.6842(2) 0.70569(19) 0.56637(15) 0.0165(7) Uani 1 1 d . . . . .
H1A H 0.673713 0.759110 0.580903 0.025 Uiso 1 1 calc GR . . . .
H1B H 0.657743 0.700208 0.525746 0.025 Uiso 1 1 calc GR . . . .
H1C H 0.747983 0.696086 0.566400 0.025 Uiso 1 1 calc GR . . . .
H31A H 0.551(2) 0.158(2) 0.6975(17) 0.021(9) Uiso 1 1 d . . . . .
H36A H 0.322(2) 0.566(2) 1.0005(17) 0.019(9) Uiso 1 1 d . . . . .
H36B H 0.233(3) 0.560(2) 0.9572(16) 0.020(10) Uiso 1 1 d . . . . .
H36C H 0.285(3) 0.482(3) 0.9734(19) 0.034(11) Uiso 1 1 d . . . . .
H31B H 0.566(2) 0.174(2) 0.6307(17) 0.014(9) Uiso 1 1 d . . . . .
H31C H 0.653(3) 0.176(2) 0.6746(17) 0.024(10) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl3 2.3268(8) 5_766 ?
Pt1 Cl3 2.3268(8) . ?
Pt1 Cl4 2.3286(7) . ?
Pt1 Cl4 2.3286(7) 5_766 ?
Pt1 Cl5 2.3119(7) . ?
Pt1 Cl5 2.3119(7) 5_766 ?
Cl4 Cs1 3.5669(8) 1_655 ?
Cl5 Cs1 3.5364(8) 5_666 ?
O29 C1BA 1.222(4) . ?
O29 Cs1 3.097(2) 2_656 ?
O C5AA 1.221(4) . ?
O Cs1 2.998(2) . ?
O3AA C8AA 1.221(4) . ?
O3AA Cs1 2.977(2) . ?
O1AA C4AA 1.220(4) . ?
O1AA Cs1 3.086(2) . ?
O2AA C6AA 1.218(4) . ?
O2AA Cs1 3.042(2) . ?
N22 C8AA 1.368(4) . ?
N22 C9AA 1.454(4) . ?
N22 C 1.461(4) 2_656 ?
N8 C1BA 1.373(4) . ?
N8 C2BA 1.446(4) . ?
N8 C 1.467(4) 2_656 ?
N18 C0BA 1.440(4) . ?
N18 C6AA 1.371(4) . ?
N18 C3AA 1.456(4) 2_656 ?
N6 C1BA 1.368(4) 2_656 ?
N6 C7AA 1.440(4) . ?
N6 C0AA 1.460(4) . ?
N20 C32 1.464(4) . ?
N20 C6AA 1.374(4) . ?
N20 C9AA 1.453(4) . ?
C38 C2AA 1.521(4) . ?
N16 C0BA 1.445(4) . ?
N16 C4AA 1.372(4) . ?
N16 C2AA 1.463(4) 2_656 ?
N24 C7AA 1.458(4) . ?
N24 C8AA 1.371(4) . ?
N24 C0AA 1.465(4) 2_656 ?
N12 C5AA 1.373(4) . ?
N12 C3AA 1.461(4) . ?
N12 C1AA 1.459(4) . ?
N10 C32 1.454(4) . ?
N10 C5AA 1.373(4) 2_656 ?
N10 C2BA 1.447(4) . ?
C32 C3AA 1.593(4) 2_656 ?
C32 C36 1.518(4) . ?
C5AA N10 1.373(4) 2_656 ?
C1BA N6 1.368(4) 2_656 ?
C3AA N18 1.456(4) 2_656 ?
C3AA C32 1.593(4) 2_656 ?
C3AA C1 1.521(4) . ?
C4AA C14 1.372(4) . ?
C14 C1AA 1.453(4) . ?
C14 C2AA 1.458(4) . ?
C0AA N24 1.465(4) 2_656 ?
C0AA C 1.593(4) . ?
C0AA C31 1.515(4) . ?
C36 Cs1 3.889(3) 6_566 ?
C N22 1.461(4) 2_656 ?
C N8 1.467(4) 2_656 ?
C C30 1.523(4) . ?
C31 Cs1 3.842(3) 3_545 ?
C2AA N16 1.463(4) 2_656 ?
C2AA C2AA 1.588(6) 2_656 ?
Cs1 Cl4 3.5669(8) 1_455 ?
Cs1 Cl5 3.5364(8) 5_666 ?
Cs1 O29 3.097(2) 2_656 ?
Cs1 C36 3.889(3) 6_565 ?
Cs1 C31 3.842(3) 3_455 ?

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
Cl3 Pt1 Cl3 180.0 5_766 . ?
Cl3 Pt1 Cl4 89.08(3) 5_766 . ?
Cl3 Pt1 Cl4 90.93(3) . . ?
Cl3 Pt1 Cl4 89.08(3) . 5_766 ?
Cl3 Pt1 Cl4 90.92(3) 5_766 5_766 ?
Cl4 Pt1 Cl4 180.00(2) 5_766 . ?
Cl5 Pt1 Cl3 89.64(3) . . ?
Cl5 Pt1 Cl3 90.36(3) 5_766 . ?
Cl5 Pt1 Cl3 90.36(3) . 5_766 ?
Cl5 Pt1 Cl3 89.64(3) 5_766 5_766 ?
Cl5 Pt1 Cl4 88.29(3) 5_766 5_766 ?
Cl5 Pt1 Cl4 88.29(3) . . ?
Cl5 Pt1 Cl4 91.71(3) 5_766 . ?
Cl5 Pt1 Cl4 91.71(3) . 5_766 ?
Cl5 Pt1 Cl5 180.00(3) 5_766 . ?
Pt1 Cl4 Cs1 99.37(2) . 1_655 ?
Pt1 Cl5 Cs1 100.57(3) . 5_666 ?
C1BA O29 Cs1 140.30(19) . 2_656 ?
C5AA O Cs1 145.87(19) . . ?
C8AA O3AA Cs1 147.08(19) . . ?
C4AA O1AA Cs1 141.60(19) . . ?
C6AA O2AA Cs1 140.96(19) . . ?
C8AA N22 C9AA 120.9(2) . . ?
C8AA N22 C 113.2(2) . 2_656 ?
C9AA N22 C 125.9(2) . 2_656 ?
C1BA N8 C2BA 120.2(2) . . ?
C1BA N8 C 113.2(2) . 2_656 ?
C2BA N8 C 125.9(2) . 2_656 ?
C0BA N18 C3AA 125.4(2) . 2_656 ?
C6AA N18 C0BA 120.8(2) . . ?
C6AA N18 C3AA 113.7(2) . 2_656 ?
C1BA N6 C7AA 120.2(2) 2_656 . ?
C1BA N6 C0AA 113.5(2) 2_656 . ?
C7AA N6 C0AA 126.2(2) . . ?
C6AA N20 C32 113.0(2) . . ?
C6AA N20 C9AA 121.0(2) . . ?
C9AA N20 C32 125.5(2) . . ?
C0BA N16 C2AA 124.8(2) . 2_656 ?
C4AA N16 C0BA 120.6(2) . . ?
C4AA N16 C2AA 113.3(2) . 2_656 ?
C7AA N24 C0AA 124.9(2) . 2_656 ?
C8AA N24 C7AA 121.3(2) . . ?
C8AA N24 C0AA 112.7(2) . 2_656 ?
C5AA N12 C3AA 113.1(2) . . ?
C5AA N12 C1AA 120.2(2) . . ?
C1AA N12 C3AA 126.6(2) . . ?
C5AA N10 C32 113.5(2) 2_656 . ?
C5AA N10 C2BA 121.1(2) 2_656 . ?
C2BA N10 C32 124.8(2) . . ?
N18 C0BA N16 115.0(2) . . ?
N20 C32 C3AA 102.6(2) . 2_656 ?
N20 C32 C36 111.5(2) . . ?
N10 C32 N20 112.5(2) . . ?
N10 C32 C3AA 102.5(2) . 2_656 ?
N10 C32 C36 112.1(2) . . ?
C36 C32 C3AA 115.1(2) . 2_656 ?
O C5AA N12 126.0(3) . . ?
O C5AA N10 125.7(3) . 2_656 ?
N12 C5AA N10 108.3(2) . 2_656 ?
O29 C1BA N8 125.6(3) . . ?
O29 C1BA N6 126.2(3) . 2_656 ?
N6 C1BA N8 108.2(2) 2_656 . ?
N8 C2BA N10 113.9(2) . . ?
O2AA C6AA N18 125.9(3) . . ?
O2AA C6AA N20 126.0(3) . . ?
N18 C6AA N20 108.1(2) . . ?
N18 C3AA N12 113.3(2) 2_656 . ?
N18 C3AA C32 102.3(2) 2_656 2_656 ?
N18 C3AA C1 111.2(2) 2_656 . ?
N12 C3AA C32 102.5(2) . 2_656 ?
N12 C3AA C1 111.9(2) . . ?
C1 C3AA C32 115.0(2) . 2_656 ?
N6 C7AA N24 114.8(2) . . ?
O1AA C4AA N16 125.7(3) . . ?
O1AA C4AA C14 126.0(3) . . ?
N16 C4AA C14 108.3(2) . . ?
C4AA C14 C1AA 121.3(2) . . ?
C4AA C14 C2AA 112.9(2) . . ?
C1AA C14 C2AA 125.8(2) . . ?
O3AA C8AA N22 125.6(3) . . ?
O3AA C8AA N24 125.5(3) . . ?
N22 C8AA N24 108.9(2) . . ?
N20 C9AA N22 113.9(2) . . ?
N6 C0AA N24 112.8(2) . 2_656 ?
N6 C0AA C 102.6(2) . . ?
N6 C0AA C31 111.8(2) . . ?
N24 C0AA C 102.6(2) 2_656 . ?
N24 C0AA C31 111.6(2) 2_656 . ?
C31 C0AA C 114.9(2) . . ?
C32 C36 Cs1 157.4(2) . 6_566 ?
C14 C1AA N12 114.4(2) . . ?
N22 C N8 113.0(2) 2_656 2_656 ?
N22 C C0AA 102.4(2) 2_656 . ?
N22 C C30 111.6(2) 2_656 . ?
N8 C C0AA 102.1(2) 2_656 . ?
N8 C C30 111.5(2) 2_656 . ?
C30 C C0AA 115.8(2) . . ?
C0AA C31 Cs1 148.7(2) . 3_545 ?
C38 C2AA C2AA 115.16(16) . 2_656 ?
N16 C2AA C38 112.1(2) 2_656 . ?
N16 C2AA C2AA 101.9(3) 2_656 2_656 ?
C14 C2AA C38 111.0(2) . . ?
C14 C2AA N16 113.0(2) . 2_656 ?
C14 C2AA C2AA 103.1(2) . 2_656 ?
Cl4 Cs1 C36 58.16(5) 1_455 6_565 ?
Cl4 Cs1 C31 64.12(5) 1_455 3_455 ?
Cl5 Cs1 Cl4 55.908(17) 5_666 1_455 ?
Cl5 Cs1 C36 55.28(5) 5_666 6_565 ?
Cl5 Cs1 C31 98.93(5) 5_666 3_455 ?
O29 Cs1 Cl4 118.92(4) 2_656 1_455 ?
O29 Cs1 Cl5 83.78(4) 2_656 5_666 ?
O29 Cs1 C36 61.31(6) 2_656 6_565 ?
O29 Cs1 C31 176.86(7) 2_656 3_455 ?
O Cs1 Cl4 92.46(4) . 1_455 ?
O Cs1 Cl5 116.42(4) . 5_666 ?
O Cs1 O29 64.56(6) . 2_656 ?
O Cs1 O1AA 61.11(5) . . ?
O Cs1 O2AA 113.84(6) . . ?
O Cs1 C36 61.16(6) . 6_565 ?
O Cs1 C31 115.24(6) . 3_455 ?
O3AA Cs1 Cl4 148.21(4) . 1_455 ?
O3AA Cs1 Cl5 94.49(4) . 5_666 ?
O3AA Cs1 O29 61.92(6) . 2_656 ?
O3AA Cs1 O 113.14(6) . . ?
O3AA Cs1 O1AA 115.18(6) . . ?
O3AA Cs1 O2AA 63.88(6) . . ?
O3AA Cs1 C36 117.25(6) . 6_565 ?
O3AA Cs1 C31 116.08(6) . 3_455 ?
O1AA Cs1 Cl4 93.22(4) . 1_455 ?
O1AA Cs1 Cl5 149.08(4) . 5_666 ?
O1AA Cs1 O29 116.93(6) . 2_656 ?
O1AA Cs1 C36 112.56(6) . 6_565 ?
O1AA Cs1 C31 61.27(6) . 3_455 ?
O2AA Cs1 Cl4 123.80(4) . 1_455 ?
O2AA Cs1 Cl5 129.72(4) . 5_666 ?
O2AA Cs1 O29 117.21(6) . 2_656 ?
O2AA Cs1 O1AA 63.38(6) . . ?
O2AA Cs1 C36 175.00(6) . 6_565 ?
O2AA Cs1 C31 59.80(6) . 3_455 ?
C31 Cs1 C36 121.57(7) 3_455 6_565 ?

_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_NaPtMe10CB[5]
_database_code_depnum_ccdc_archive 'CCDC 1920207'
loop_
_audit_author_name
_audit_author_address
'ruru chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-02 deposited with the CCDC.	2019-09-02 downloaded from the CCDC.
;
_audit_creation_date             2019-06-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            NaPtMe10CB[5]
_chemical_name_systematic        ?
_chemical_formula_moiety         'C20 H25 Cl3 N10 Na O5 Pt0.5, 1.5(O)'
_chemical_formula_sum            'C20 H25 Cl3 N10 Na O6.5 Pt0.50'
_chemical_formula_weight         738.16
_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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 '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           11
_space_group_name_H-M_alt        'P 1 21/m 1'
_space_group_name_Hall           '-P 2yb'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, z'

_cell_length_a                   11.07600(10)
_cell_length_b                   15.1322(2)
_cell_length_c                   15.9211(2)
_cell_angle_alpha                90
_cell_angle_beta                 92.6590(10)
_cell_angle_gamma                90
_cell_volume                     2665.57(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    120
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      73.3
_cell_measurement_theta_min      4.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    8.486
_exptl_absorpt_correction_T_max  0.466
_exptl_absorpt_correction_T_min  0.415
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.839
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0380
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9702
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.264
_diffrn_reflns_theta_min         3.995
_diffrn_ambient_temperature      173.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  supernova
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5058
_reflns_number_total             5358
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.450
_refine_diff_density_min         -2.129
_refine_diff_density_rms         0.238
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5358
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0457
_refine_ls_restrained_S_all      1.085
_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)+(0.0999P)²+6.3503P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1419
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C3(H3A,H3B), C21(H21A,H21B), C19(H19A,H19B), C1(H1A,H1B),
 C17(H17A,H17B)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C14(H14A,H14B,H14C), C12(H12A,H12B,H12C), C7(H7A,H7B,H7C),
 C16(H16A,H16B,H16C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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 1.00179(2) 0.750000 0.74216(2) 0.01117(13) Uani 1 2 d S T P . .
Cl2 Cl 1.19846(13) 0.750000 0.69926(9) 0.0191(3) Uani 1 2 d S T P . .
Cl3 Cl 1.07250(14) 0.750000 0.88144(9) 0.0219(3) Uani 1 2 d S T P . .
Cl4 Cl 1.00353(9) 0.90352(9) 0.74395(8) 0.0278(3) Uani 1 1 d . . . . .
Cl5 Cl 0.80265(14) 0.750000 0.78333(12) 0.0227(4) Uani 1 2 d S T P . .
Cl6 Cl 0.93495(15) 0.750000 0.60155(10) 0.0227(3) Uani 1 2 d S T P . .
O5 O 0.7315(3) 0.5774(2) 0.3689(2) 0.0183(6) Uani 1 1 d . . . . .
O3 O 0.4962(4) 0.750000 -0.0099(3) 0.0177(9) Uani 1 2 d S T P . .
O4 O 0.8342(4) 0.750000 0.2956(3) 0.0187(9) Uani 1 2 d S T P . .
O6 O 0.5215(3) 0.6515(2) 0.4778(2) 0.0210(7) Uani 1 1 d . . . . .
O2 O 0.3700(3) 0.5887(2) 0.0744(2) 0.0178(6) Uani 1 1 d . . . . .
O1 O 0.1554(3) 0.6447(2) 0.1878(2) 0.0246(7) Uani 1 1 d . . . . .
N9 N 0.4095(4) 0.5550(3) 0.3937(2) 0.0160(8) Uani 1 1 d . . . . .
N6 N 0.8046(4) 0.6766(3) 0.1693(3) 0.0177(8) Uani 1 1 d . . . . .
N4 N 0.5672(4) 0.5486(3) 0.1081(2) 0.0159(8) Uani 1 1 d . . . . .
N1 N 0.1731(4) 0.6693(3) 0.3309(3) 0.0219(9) Uani 1 1 d . . . . .
N10 N 0.3171(4) 0.6689(3) 0.4507(3) 0.0217(9) Uani 1 1 d . . . . .
N8 N 0.5704(4) 0.4993(3) 0.3092(2) 0.0158(8) Uani 1 1 d . . . . .
N3 N 0.4225(4) 0.5055(3) 0.1918(2) 0.0150(8) Uani 1 1 d . . . . .
N5 N 0.6638(4) 0.6770(3) 0.0473(3) 0.0176(8) Uani 1 1 d . . . . .
N2 N 0.2585(4) 0.5496(3) 0.2794(2) 0.0184(8) Uani 1 1 d . . . . .
C22 C 0.8144(5) 0.750000 0.2190(4) 0.0156(12) Uani 1 2 d S T P . .
N7 N 0.7118(4) 0.5457(3) 0.2265(2) 0.0178(8) Uani 1 1 d . . . . .
C18 C 0.4264(4) 0.6286(3) 0.4438(3) 0.0156(8) Uani 1 1 d . . . . .
C5 C 0.6162(4) 0.5891(3) 0.0339(3) 0.0166(9) Uani 1 1 d . . . . .
H5A H 0.681490 0.550809 0.013947 0.020 Uiso 1 1 calc R . . . .
H5B H 0.551688 0.591468 -0.011183 0.020 Uiso 1 1 calc R . . . .
C6 C 0.5979(6) 0.750000 0.0256(4) 0.0152(12) Uani 1 2 d S T P . .
Na0A Na 0.7273(6) 0.750000 0.4472(4) 0.0769(15) Uani 1 2 d S T P . .
C8 C 0.7866(4) 0.6974(3) 0.0807(3) 0.0168(9) Uani 1 1 d . . . . .
Na2 Na 0.2537(6) 0.750000 0.0553(4) 0.0764(15) Uani 1 2 d S T P . .
C11 C 0.5314(4) 0.4619(3) 0.2284(3) 0.0146(8) Uani 1 1 d . . . . .
C3 C 0.2987(4) 0.4902(3) 0.2147(3) 0.0179(9) Uani 1 1 d . . . . .
H3A H 0.244449 0.496772 0.163912 0.022 Uiso 1 1 calc R . . . .
H3B H 0.291501 0.428569 0.234788 0.022 Uiso 1 1 calc R . . . .
C13 C 0.2830(4) 0.5389(3) 0.3695(3) 0.0172(9) Uani 1 1 d . . . . .
C21 C 0.8232(4) 0.5892(3) 0.2050(3) 0.0163(9) Uani 1 1 d . . . . .
H21A H 0.876906 0.594049 0.256215 0.020 Uiso 1 1 calc R . . . .
H21B H 0.864729 0.551976 0.164088 0.020 Uiso 1 1 calc R . . . .
C2 C 0.1931(4) 0.6238(3) 0.2583(3) 0.0206(10) Uani 1 1 d . . . . .
C19 C 0.5075(4) 0.4915(3) 0.3864(3) 0.0159(8) Uani 1 1 d . . . . .
H19A H 0.566367 0.499592 0.434561 0.019 Uiso 1 1 calc R . . . .
H19B H 0.474042 0.431031 0.390131 0.019 Uiso 1 1 calc R . . . .
C15 C 0.2180(4) 0.6233(3) 0.4068(3) 0.0212(10) Uani 1 1 d . . . . .
C4 C 0.4457(4) 0.5522(3) 0.1203(3) 0.0138(8) Uani 1 1 d . . . . .
C20 C 0.6772(4) 0.5446(3) 0.3080(3) 0.0150(8) Uani 1 1 d . . . . .
C1 C 0.1024(6) 0.750000 0.3282(5) 0.0265(15) Uani 1 2 d S T P . .
H1A H 0.049004 0.750000 0.376352 0.032 Uiso 1 2 calc RS T P . .
H1B H 0.050110 0.749999 0.276062 0.032 Uiso 1 2 calc RS T P . .
C10 C 0.6341(4) 0.4937(3) 0.1696(3) 0.0153(8) Uani 1 1 d . . . . .
C9 C 0.7033(4) 0.4197(3) 0.1287(3) 0.0205(9) Uani 1 1 d . . . . .
H9A H 0.647558 0.384847 0.092391 0.031 Uiso 1 1 calc GR . . . .
H9B H 0.740375 0.381533 0.172414 0.031 Uiso 1 1 calc GR . . . .
H9C H 0.766464 0.445049 0.094959 0.031 Uiso 1 1 calc GR . . . .
C14 C 0.2391(5) 0.4509(3) 0.4012(3) 0.0224(10) Uani 1 1 d . . . . .
H14A H 0.278496 0.402952 0.371464 0.034 Uiso 1 1 calc GR . . . .
H14B H 0.151333 0.446731 0.391088 0.034 Uiso 1 1 calc GR . . . .
H14C H 0.259036 0.445982 0.461654 0.034 Uiso 1 1 calc GR . . . .
C12 C 0.5143(5) 0.3625(3) 0.2328(3) 0.0237(10) Uani 1 1 d . . . . .
H12A H 0.588573 0.335032 0.256327 0.036 Uiso 1 1 calc GR . . . .
H12B H 0.495982 0.339229 0.176219 0.036 Uiso 1 1 calc GR . . . .
H12C H 0.447312 0.348952 0.268852 0.036 Uiso 1 1 calc GR . . . .
C7 C 0.8815(5) 0.6543(4) 0.0283(4) 0.0288(11) Uani 1 1 d . . . . .
H7A H 0.872591 0.675746 -0.029694 0.043 Uiso 1 1 calc GR . . . .
H7B H 0.870773 0.589977 0.029040 0.043 Uiso 1 1 calc GR . . . .
H7C H 0.962232 0.669203 0.051839 0.043 Uiso 1 1 calc GR . . . .
C17 C 0.3076(7) 0.750000 0.4992(4) 0.0233(14) Uani 1 2 d S T P . .
H17A H 0.229008 0.750001 0.526325 0.028 Uiso 1 2 calc RS T P . .
H17B H 0.372063 0.749999 0.544368 0.028 Uiso 1 2 calc RS T P . .
C16 C 0.1143(6) 0.6024(4) 0.4644(4) 0.0411(15) Uani 1 1 d . . . . .
H16A H 0.075671 0.657554 0.480999 0.062 Uiso 1 1 calc GR . . . .
H16B H 0.146482 0.571485 0.514751 0.062 Uiso 1 1 calc GR . . . .
H16C H 0.054665 0.564749 0.434385 0.062 Uiso 1 1 calc GR . . . .
O0AA O 0.4901(15) 0.750000 0.2492(10) 0.168(9) Uiso 1 2 d S T P . .
O1AA O 1.048(3) 0.4961(17) 0.0905(16) 0.375(14) Uiso 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl2 2.3129(14) . ?
Pt1 Cl3 2.3173(15) . ?
Pt1 Cl4 2.3233(14) 4_575 ?
Pt1 Cl4 2.3233(14) . ?
Pt1 Cl5 2.3301(15) . ?
Pt1 Cl6 2.3250(15) . ?
Cl3 Na2 3.343(6) 1_656 ?
Cl6 Na0A 3.286(7) . ?
O5 Na0A 2.895(4) . ?
O5 C20 1.223(5) . ?
O3 C6 1.237(8) . ?
O3 Na2 2.924(8) . ?
O4 C22 1.230(8) . ?
O4 Na0A 2.737(8) . ?
O6 C18 1.212(6) . ?
O6 Na0A 2.785(6) . ?
O2 Na2 2.770(4) . ?
O2 C4 1.218(5) . ?
O1 Na2 2.896(6) . ?
O1 C2 1.221(6) . ?
N9 C18 1.377(6) . ?
N9 C13 1.457(6) . ?
N9 C19 1.459(6) . ?
N6 C22 1.365(6) . ?
N6 C8 1.450(6) . ?
N6 C21 1.450(6) . ?
N4 C5 1.458(5) . ?
N4 C4 1.369(6) . ?
N4 C10 1.459(6) . ?
N1 C2 1.372(7) . ?
N1 C15 1.462(7) . ?
N1 C1 1.450(5) . ?
N10 C18 1.365(7) . ?
N10 C15 1.449(7) . ?
N10 C17 1.456(5) . ?
N8 C11 1.453(5) . ?
N8 C19 1.446(6) . ?
N8 C20 1.368(6) . ?
N3 C11 1.471(6) . ?
N3 C3 1.454(6) . ?
N3 C4 1.374(6) . ?
N5 C5 1.443(6) . ?
N5 C6 1.360(6) . ?
N5 C8 1.471(6) . ?
N2 C3 1.452(6) . ?
N2 C13 1.457(6) . ?
N2 C2 1.369(6) . ?
N7 C21 1.453(6) . ?
N7 C20 1.369(6) . ?
N7 C10 1.452(6) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C8 C8 1.592(9) 4_575 ?
C8 C7 1.518(6) . ?
C11 C10 1.582(6) . ?
C11 C12 1.518(6) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C13 C15 1.593(7) . ?
C13 C14 1.513(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C15 C16 1.536(6) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C10 C9 1.521(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 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
Cl2 Pt1 Cl3 90.08(5) . . ?
Cl2 Pt1 Cl4 89.78(3) . 4_575 ?
Cl2 Pt1 Cl4 89.78(3) . . ?
Cl2 Pt1 Cl5 179.17(5) . . ?
Cl2 Pt1 Cl6 88.73(6) . . ?
Cl3 Pt1 Cl4 89.20(3) . 4_575 ?
Cl3 Pt1 Cl4 89.20(3) . . ?
Cl3 Pt1 Cl5 90.75(6) . . ?
Cl3 Pt1 Cl6 178.82(5) . . ?
Cl4 Pt1 Cl4 178.34(6) 4_575 . ?
Cl4 Pt1 Cl5 90.23(3) . . ?
Cl4 Pt1 Cl5 90.23(3) 4_575 . ?
Cl4 Pt1 Cl6 90.80(3) 4_575 . ?
Cl4 Pt1 Cl6 90.80(3) . . ?
Cl6 Pt1 Cl5 90.43(6) . . ?
Pt1 Cl3 Na2 162.88(13) . 1_656 ?
Pt1 Cl6 Na0A 154.20(13) . . ?
C20 O5 Na0A 133.7(3) . . ?
C6 O3 Na2 132.0(4) . . ?
C22 O4 Na0A 144.1(4) . . ?
C18 O6 Na0A 140.9(3) . . ?
C4 O2 Na2 140.2(3) . . ?
C2 O1 Na2 133.5(3) . . ?
C18 N9 C13 113.1(4) . . ?
C18 N9 C19 119.8(4) . . ?
C13 N9 C19 125.4(4) . . ?
C22 N6 C8 113.0(4) . . ?
C22 N6 C21 120.6(4) . . ?
C21 N6 C8 126.1(4) . . ?
C5 N4 C10 125.9(4) . . ?
C4 N4 C5 120.2(4) . . ?
C4 N4 C10 113.6(4) . . ?
C2 N1 C15 113.2(4) . . ?
C2 N1 C1 120.5(5) . . ?
C1 N1 C15 126.0(5) . . ?
C18 N10 C15 113.8(4) . . ?
C18 N10 C17 120.3(5) . . ?
C15 N10 C17 125.9(5) . . ?
C19 N8 C11 125.9(4) . . ?
C20 N8 C11 113.8(4) . . ?
C20 N8 C19 120.3(4) . . ?
C3 N3 C11 126.4(4) . . ?
C4 N3 C11 112.2(4) . . ?
C4 N3 C3 120.3(4) . . ?
C5 N5 C8 124.9(4) . . ?
C6 N5 C5 121.6(4) . . ?
C6 N5 C8 113.5(4) . . ?
C3 N2 C13 125.5(4) . . ?
C2 N2 C3 120.7(4) . . ?
C2 N2 C13 113.8(4) . . ?
O4 C22 N6 125.5(3) . 4_575 ?
O4 C22 N6 125.5(3) . . ?
N6 C22 N6 108.9(6) . 4_575 ?
C20 N7 C21 120.5(4) . . ?
C20 N7 C10 113.6(4) . . ?
C10 N7 C21 125.6(4) . . ?
O6 C18 N9 125.5(4) . . ?
O6 C18 N10 126.3(4) . . ?
N10 C18 N9 108.1(4) . . ?
N4 C5 H5A 108.6 . . ?
N4 C5 H5B 108.6 . . ?
N5 C5 N4 114.6(4) . . ?
N5 C5 H5A 108.6 . . ?
N5 C5 H5B 108.6 . . ?
H5A C5 H5B 107.6 . . ?
O3 C6 N5 125.7(3) . 4_575 ?
O3 C6 N5 125.7(3) . . ?
N5 C6 N5 108.7(6) 4_575 . ?
O5 Na0A Cl6 107.29(14) . . ?
O5 Na0A Cl6 107.29(14) 4_575 . ?
O5 Na0A O5 128.9(3) . 4_575 ?
O4 Na0A Cl6 110.1(2) . . ?
O4 Na0A O5 66.67(13) . . ?
O4 Na0A O5 66.67(13) . 4_575 ?
O4 Na0A O6 123.0(2) . 4_575 ?
O4 Na0A O6 123.0(2) . . ?
O6 Na0A Cl6 114.78(19) . . ?
O6 Na0A Cl6 114.78(19) 4_575 . ?
O6 Na0A O5 126.0(2) 4_575 . ?
O6 Na0A O5 67.81(12) 4_575 4_575 ?
O6 Na0A O5 67.81(12) . . ?
O6 Na0A O5 126.0(2) . 4_575 ?
O6 Na0A O6 64.7(2) 4_575 . ?
N6 C8 N5 112.9(4) . . ?
N6 C8 C8 102.5(2) . 4_575 ?
N6 C8 C7 112.0(4) . . ?
N5 C8 C8 102.1(2) . 4_575 ?
N5 C8 C7 111.3(4) . . ?
C7 C8 C8 115.5(3) . 4_575 ?
O3 Na2 Cl3 103.4(2) . 1_454 ?
O2 Na2 Cl3 110.43(14) . 1_454 ?
O2 Na2 Cl3 110.43(14) 4_575 1_454 ?
O2 Na2 O3 66.97(14) 4_575 . ?
O2 Na2 O3 66.97(14) . . ?
O2 Na2 O2 123.6(3) . 4_575 ?
O2 Na2 O1 126.4(2) . 4_575 ?
O2 Na2 O1 67.91(12) . . ?
O2 Na2 O1 67.91(12) 4_575 4_575 ?
O2 Na2 O1 126.4(2) 4_575 . ?
O1 Na2 Cl3 111.82(19) . 1_454 ?
O1 Na2 Cl3 111.82(19) 4_575 1_454 ?
O1 Na2 O3 129.88(19) . . ?
O1 Na2 O3 129.88(19) 4_575 . ?
O1 Na2 O1 66.8(2) . 4_575 ?
N8 C11 N3 112.4(4) . . ?
N8 C11 C10 102.3(3) . . ?
N8 C11 C12 112.1(4) . . ?
N3 C11 C10 103.2(3) . . ?
N3 C11 C12 111.2(4) . . ?
C12 C11 C10 115.1(4) . . ?
N3 C3 H3A 108.8 . . ?
N3 C3 H3B 108.8 . . ?
N2 C3 N3 113.7(4) . . ?
N2 C3 H3A 108.8 . . ?
N2 C3 H3B 108.8 . . ?
H3A C3 H3B 107.7 . . ?
N9 C13 N2 112.0(4) . . ?
N9 C13 C15 102.3(4) . . ?
N9 C13 C14 112.3(4) . . ?
N2 C13 C15 102.2(4) . . ?
N2 C13 C14 112.2(4) . . ?
C14 C13 C15 115.0(4) . . ?
N6 C21 N7 113.5(4) . . ?
N6 C21 H21A 108.9 . . ?
N6 C21 H21B 108.9 . . ?
N7 C21 H21A 108.9 . . ?
N7 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
O1 C2 N1 125.6(5) . . ?
O1 C2 N2 126.3(5) . . ?
N2 C2 N1 108.1(4) . . ?
N9 C19 H19A 108.8 . . ?
N9 C19 H19B 108.8 . . ?
N8 C19 N9 113.8(4) . . ?
N8 C19 H19A 108.8 . . ?
N8 C19 H19B 108.8 . . ?
H19A C19 H19B 107.7 . . ?
N1 C15 C13 102.5(4) . . ?
N1 C15 C16 110.9(5) . . ?
N10 C15 N1 113.1(4) . . ?
N10 C15 C13 102.5(4) . . ?
N10 C15 C16 112.3(4) . . ?
C16 C15 C13 114.9(4) . . ?
O2 C4 N4 125.9(4) . . ?
O2 C4 N3 125.4(4) . . ?
N4 C4 N3 108.6(4) . . ?
O5 C20 N8 125.9(4) . . ?
O5 C20 N7 126.7(4) . . ?
N8 C20 N7 107.5(4) . . ?
N1 C1 N1 114.7(6) . 4_575 ?
N1 C1 H1A 108.6 . . ?
N1 C1 H1A 108.6 4_575 . ?
N1 C1 H1B 108.6 . . ?
N1 C1 H1B 108.6 4_575 . ?
H1A C1 H1B 107.6 . . ?
N4 C10 C11 102.3(3) . . ?
N4 C10 C9 112.4(4) . . ?
N7 C10 N4 112.3(4) . . ?
N7 C10 C11 102.6(3) . . ?
N7 C10 C9 111.7(4) . . ?
C9 C10 C11 114.8(4) . . ?
C10 C9 H9A 109.5 . . ?
C10 C9 H9B 109.5 . . ?
C10 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N10 C17 N10 114.9(5) 4_575 . ?
N10 C17 H17A 108.5 4_575 . ?
N10 C17 H17A 108.5 . . ?
N10 C17 H17B 108.5 . . ?
N10 C17 H17B 108.5 4_575 . ?
H17A C17 H17B 107.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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_RbPtMe10CB[5]
_database_code_depnum_ccdc_archive 'CCDC 1920206'
loop_
_audit_author_name
_audit_author_address
'ruru chen'
;Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
China
;
_audit_update_record             
;
2019-06-02 deposited with the CCDC.	2019-09-02 downloaded from the CCDC.
;
_audit_creation_date             2019-06-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/4
_chemical_name_common            RbPtMe10CB[5]
_chemical_name_systematic        ?
_chemical_formula_moiety         '0.5(C80 Cl12 N40 O20 Pt2 Rb4), O2'
_chemical_formula_sum            'C40 Cl6 N20 O12 Pt Rb2'
_chemical_formula_weight         1531.32
_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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -4.5932 6.9264 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.4688 1.6079 '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                   14.75130(10)
_cell_length_b                   16.67130(10)
_cell_length_c                   21.8623(2)
_cell_angle_alpha                90
_cell_angle_beta                 95.1580(10)
_cell_angle_gamma                90
_cell_volume                     5354.68(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    118
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      73.3
_cell_measurement_theta_min      4.0
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    10.513
_exptl_absorpt_correction_T_max  0.388
_exptl_absorpt_correction_T_min  0.326
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             3064
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0171
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.989
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23906
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.989
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.306
_diffrn_reflns_theta_min         4.011
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  supernova
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5149
_reflns_number_total             5328
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_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    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.168
_refine_diff_density_min         -1.802
_refine_diff_density_rms         0.165
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     362
_refine_ls_number_reflns         5328
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0334
_refine_ls_R_factor_gt           0.0323
_refine_ls_restrained_S_all      1.086
_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)+(0.0469P)²+66.8610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.0927
_refine_special_details          ?
_olex2_refinement_description    
;
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     iterative
_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 1.000000 0.500000 0.500000 0.00466(9) Uani 1 2 d S T P . .
Rb1 Rb 0.74277(3) 0.48359(2) 0.36708(2) 0.01325(11) Uani 1 1 d . . . . .
Cl1 Cl 0.88645(6) 0.40286(5) 0.48772(4) 0.01088(19) Uani 1 1 d . . . . .
Cl2 Cl 0.89790(6) 0.59660(5) 0.46009(4) 0.01131(19) Uani 1 1 d . . . . .
Cl3 Cl 0.95790(7) 0.52612(6) 0.59815(4) 0.01177(19) Uani 1 1 d . . . . .
O4 O 0.23232(19) 0.43197(16) 0.25794(12) 0.0093(5) Uani 1 1 d . . . . .
O1 O 0.72410(19) 0.60947(16) 0.27819(12) 0.0088(5) Uani 1 1 d . . . . .
O5 O 0.32614(18) 0.32130(17) 0.16580(13) 0.0098(5) Uani 1 1 d . . . . .
O2 O 0.61793(18) 0.61781(17) 0.39257(13) 0.0102(6) Uani 1 1 d . . . . .
O3 O 0.58203(18) 0.43246(17) 0.42032(12) 0.0090(5) Uani 1 1 d . . . . .
N5 N 0.6112(2) 0.69665(19) 0.23995(14) 0.0063(6) Uani 1 1 d . . . . .
N2 N 0.4346(2) 0.4792(2) 0.41799(15) 0.0068(6) Uani 1 1 d . . . . .
N8 N 0.3171(2) 0.3527(2) 0.32824(15) 0.0084(6) Uani 1 1 d . . . . .
N3 N 0.4615(2) 0.6181(2) 0.39183(15) 0.0073(6) Uani 1 1 d . . . . .
N1 N 0.4575(2) 0.3510(2) 0.39587(15) 0.0080(6) Uani 1 1 d . . . . .
N9 N 0.3916(2) 0.2685(2) 0.25681(15) 0.0080(6) Uani 1 1 d . . . . .
N7 N 0.2939(2) 0.4801(2) 0.35179(15) 0.0070(6) Uani 1 1 d . . . . .
N6 N 0.6802(2) 0.6197(2) 0.17455(15) 0.0073(6) Uani 1 1 d . . . . .
C17 C 0.3124(3) 0.2816(2) 0.29049(18) 0.0074(7) Uani 1 1 d . . . . .
N10 N 0.4697(2) 0.2637(2) 0.17459(14) 0.0079(6) Uani 1 1 d . . . . .
N4 N 0.5257(2) 0.7020(2) 0.33031(15) 0.0071(6) Uani 1 1 d . . . . .
C16 C 0.2770(2) 0.4231(2) 0.30732(17) 0.0065(7) Uani 1 1 d . . . . .
C12 C 0.3583(3) 0.3575(2) 0.39149(17) 0.0057(7) Uani 1 1 d . . . . .
C19 C 0.4457(3) 0.1387(2) 0.30146(19) 0.0111(8) Uani 1 1 d . . . . .
C9 C 0.4589(3) 0.5592(2) 0.43997(17) 0.0076(7) Uani 1 1 d . . . . .
C2 C 0.6761(2) 0.6380(2) 0.23547(17) 0.0056(7) Uani 1 1 d . . . . .
C10 C 0.5002(3) 0.4222(2) 0.41135(17) 0.0062(7) Uiso 1 1 d . . . . .
C3 C 0.5700(2) 0.7234(2) 0.18012(17) 0.0060(7) Uani 1 1 d . . . . .
C7 C 0.3841(3) 0.6658(2) 0.36630(17) 0.0058(7) Uani 1 1 d . . . . .
C20 C 0.3894(3) 0.2888(2) 0.19592(18) 0.0071(7) Uani 1 1 d . . . . .
C6 C 0.5429(3) 0.6428(2) 0.37323(17) 0.0073(7) Uani 1 1 d . . . . .
C13 C 0.3421(3) 0.4488(2) 0.40834(17) 0.0057(7) Uani 1 1 d . . . . .
C18 C 0.4711(2) 0.2218(2) 0.27886(16) 0.0058(7) Uani 1 1 d . . . . .
C15 C 0.3157(3) 0.2964(2) 0.43272(19) 0.0120(8) Uani 1 1 d . . . . .
C11 C 0.5104(3) 0.2786(2) 0.38829(17) 0.0082(7) Uani 1 1 d . . . . .
C5 C 0.5992(3) 0.7351(2) 0.29839(17) 0.0071(7) Uani 1 1 d . . . . .
C1 C 0.7446(3) 0.5601(2) 0.15580(18) 0.0076(7) Uani 1 1 d . . . . .
C8 C 0.3365(3) 0.7081(2) 0.41659(18) 0.0103(8) Uani 1 1 d . . . . .
C4 C 0.5846(3) 0.8127(2) 0.17004(18) 0.0099(8) Uani 1 1 d . . . . .
C14 C 0.2885(3) 0.4622(2) 0.46355(18) 0.0095(8) Uani 1 1 d . . . . .
O0AA O 0.5264(10) 0.4846(7) 0.2620(9) 0.158(5) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 Cl1 2.3279(9) . ?
Pt1 Cl1 2.3279(9) 5_766 ?
Pt1 Cl2 2.3210(9) . ?
Pt1 Cl2 2.3210(9) 5_766 ?
Pt1 Cl3 2.3280(9) 5_766 ?
Pt1 Cl3 2.3279(9) . ?
Rb1 Cl1 3.5007(10) . ?
Rb1 Cl2 3.4763(11) . ?
Rb1 O4 2.920(3) 2_655 ?
Rb1 O1 2.857(3) . ?
Rb1 O5 2.956(3) 2_655 ?
Rb1 O2 2.982(3) . ?
Rb1 O3 2.864(3) . ?
O4 Rb1 2.920(3) 2_655 ?
O4 C16 1.222(5) . ?
O1 C2 1.217(5) . ?
O5 Rb1 2.956(3) 2_655 ?
O5 C20 1.219(5) . ?
O2 C6 1.222(5) . ?
O3 C10 1.218(5) . ?
N5 C2 1.379(5) . ?
N5 C3 1.461(5) . ?
N5 C5 1.454(5) . ?
N2 C9 1.452(5) . ?
N2 C10 1.372(5) . ?
N2 C13 1.453(5) . ?
N8 C17 1.444(5) . ?
N8 C16 1.374(5) . ?
N8 C12 1.462(5) . ?
N3 C9 1.442(5) . ?
N3 C7 1.461(5) . ?
N3 C6 1.366(5) . ?
N1 C12 1.462(5) . ?
N1 C10 1.372(5) . ?
N1 C11 1.456(5) . ?
N9 C17 1.452(5) . ?
N9 C20 1.371(5) . ?
N9 C18 1.453(5) . ?
N7 C16 1.366(5) . ?
N7 C13 1.466(5) . ?
N7 C1 1.453(5) 2_655 ?
N6 C2 1.373(5) . ?
N6 C7 1.461(5) 2_655 ?
N6 C1 1.460(5) . ?
N10 C20 1.377(5) . ?
N10 C18 1.458(5) 2_655 ?
N10 C11 1.453(5) 2_655 ?
N4 C3 1.455(5) 2_655 ?
N4 C6 1.369(5) . ?
N4 C5 1.450(5) . ?
C12 C13 1.589(5) . ?
C12 C15 1.531(5) . ?
C19 C18 1.529(5) . ?
C3 N4 1.455(5) 2_655 ?
C3 C7 1.592(5) 2_655 ?
C3 C4 1.523(5) . ?
C7 N6 1.461(5) 2_655 ?
C7 C3 1.592(5) 2_655 ?
C7 C8 1.528(5) . ?
C13 C14 1.518(5) . ?
C18 N10 1.458(5) 2_655 ?
C18 C18 1.585(7) 2_655 ?
C11 N10 1.453(5) 2_655 ?
C1 N7 1.453(5) 2_655 ?
O0AA O0AA 0.90(2) 2_655 ?

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
Cl1 Pt1 Cl1 180.00(3) 5_766 . ?
Cl1 Pt1 Cl3 90.71(3) 5_766 . ?
Cl1 Pt1 Cl3 89.29(3) 5_766 5_766 ?
Cl1 Pt1 Cl3 90.71(3) . 5_766 ?
Cl2 Pt1 Cl1 90.20(3) . . ?
Cl2 Pt1 Cl1 89.80(3) . 5_766 ?
Cl2 Pt1 Cl1 90.20(3) 5_766 5_766 ?
Cl2 Pt1 Cl1 89.80(3) 5_766 . ?
Cl2 Pt1 Cl2 180.00(4) 5_766 . ?
Cl2 Pt1 Cl3 89.94(3) . . ?
Cl2 Pt1 Cl3 90.06(3) 5_766 . ?
Cl2 Pt1 Cl3 89.94(3) 5_766 5_766 ?
Cl2 Pt1 Cl3 90.06(3) . 5_766 ?
Cl3 Pt1 Cl1 89.29(3) . . ?
Cl3 Pt1 Cl3 180.00(4) . 5_766 ?
Cl2 Rb1 Cl1 56.33(2) . . ?
O4 Rb1 Cl1 118.25(6) 2_655 . ?
O4 Rb1 Cl2 125.14(6) 2_655 . ?
O4 Rb1 O5 64.67(8) 2_655 2_655 ?
O4 Rb1 O2 121.86(8) 2_655 . ?
O1 Rb1 Cl1 144.08(6) . . ?
O1 Rb1 Cl2 91.02(6) . . ?
O1 Rb1 O4 65.94(8) . 2_655 ?
O1 Rb1 O5 119.80(8) . 2_655 ?
O1 Rb1 O2 63.42(8) . . ?
O1 Rb1 O3 117.55(8) . . ?
O5 Rb1 Cl1 90.17(6) 2_655 . ?
O5 Rb1 Cl2 146.32(6) 2_655 . ?
O5 Rb1 O2 121.84(8) 2_655 . ?
O2 Rb1 Cl1 119.33(6) . . ?
O2 Rb1 Cl2 82.48(6) . . ?
O3 Rb1 Cl1 92.68(6) . . ?
O3 Rb1 Cl2 116.69(6) . . ?
O3 Rb1 O4 118.11(8) . 2_655 ?
O3 Rb1 O5 63.07(8) . 2_655 ?
O3 Rb1 O2 66.40(8) . . ?
Pt1 Cl1 Rb1 101.54(3) . . ?
Pt1 Cl2 Rb1 102.39(3) . . ?
C16 O4 Rb1 139.4(2) . 2_655 ?
C2 O1 Rb1 145.4(2) . . ?
C20 O5 Rb1 140.1(3) . 2_655 ?
C6 O2 Rb1 138.3(2) . . ?
C10 O3 Rb1 145.2(2) . . ?
C2 N5 C3 112.9(3) . . ?
C2 N5 C5 121.0(3) . . ?
C5 N5 C3 125.3(3) . . ?
C9 N2 C13 124.7(3) . . ?
C10 N2 C9 121.0(3) . . ?
C10 N2 C13 113.9(3) . . ?
C17 N8 C12 125.4(3) . . ?
C16 N8 C17 121.0(3) . . ?
C16 N8 C12 113.5(3) . . ?
C9 N3 C7 125.4(3) . . ?
C6 N3 C9 120.2(3) . . ?
C6 N3 C7 113.6(3) . . ?
C10 N1 C12 112.8(3) . . ?
C10 N1 C11 120.5(3) . . ?
C11 N1 C12 126.7(3) . . ?
C17 N9 C18 125.1(3) . . ?
C20 N9 C17 120.3(3) . . ?
C20 N9 C18 113.8(3) . . ?
C16 N7 C13 113.3(3) . . ?
C16 N7 C1 120.8(3) . 2_655 ?
C1 N7 C13 125.4(3) 2_655 . ?
C2 N6 C7 113.2(3) . 2_655 ?
C2 N6 C1 120.7(3) . . ?
C1 N6 C7 126.1(3) . 2_655 ?
N8 C17 N9 114.5(3) . . ?
C20 N10 C18 112.9(3) . 2_655 ?
C20 N10 C11 121.4(3) . 2_655 ?
C11 N10 C18 125.7(3) 2_655 2_655 ?
C6 N4 C3 113.7(3) . 2_655 ?
C6 N4 C5 120.2(3) . . ?
C5 N4 C3 126.0(3) . 2_655 ?
O4 C16 N8 125.4(4) . . ?
O4 C16 N7 126.5(4) . . ?
N7 C16 N8 108.1(3) . . ?
N8 C12 N1 112.7(3) . . ?
N8 C12 C13 102.3(3) . . ?
N8 C12 C15 111.3(3) . . ?
N1 C12 C13 103.0(3) . . ?
N1 C12 C15 111.9(3) . . ?
C15 C12 C13 115.0(3) . . ?
N3 C9 N2 114.0(3) . . ?
O1 C2 N5 125.6(3) . . ?
O1 C2 N6 125.8(4) . . ?
N6 C2 N5 108.5(3) . . ?
O3 C10 N2 125.8(4) . . ?
O3 C10 N1 125.9(3) . . ?
N2 C10 N1 108.2(3) . . ?
N5 C3 C7 102.7(3) . 2_655 ?
N5 C3 C4 112.0(3) . . ?
N4 C3 N5 112.6(3) 2_655 . ?
N4 C3 C7 102.4(3) 2_655 2_655 ?
N4 C3 C4 111.4(3) 2_655 . ?
C4 C3 C7 115.1(3) . 2_655 ?
N3 C7 N6 112.9(3) . 2_655 ?
N3 C7 C3 102.1(3) . 2_655 ?
N3 C7 C8 111.7(3) . . ?
N6 C7 C3 102.6(3) 2_655 2_655 ?
N6 C7 C8 111.6(3) 2_655 . ?
C8 C7 C3 115.5(3) . 2_655 ?
O5 C20 N9 125.8(4) . . ?
O5 C20 N10 126.3(4) . . ?
N9 C20 N10 107.9(3) . . ?
O2 C6 N3 126.0(4) . . ?
O2 C6 N4 126.1(4) . . ?
N3 C6 N4 107.9(3) . . ?
N2 C13 N7 112.1(3) . . ?
N2 C13 C12 102.1(3) . . ?
N2 C13 C14 112.5(3) . . ?
N7 C13 C12 102.6(3) . . ?
N7 C13 C14 111.7(3) . . ?
C14 C13 C12 115.2(3) . . ?
N9 C18 N10 113.0(3) . 2_655 ?
N9 C18 C19 112.2(3) . . ?
N9 C18 C18 102.2(3) . 2_655 ?
N10 C18 C19 110.9(3) 2_655 . ?
N10 C18 C18 103.0(3) 2_655 2_655 ?
C19 C18 C18 115.0(2) . 2_655 ?
N10 C11 N1 113.9(3) 2_655 . ?
N4 C5 N5 114.2(3) . . ?
N7 C1 N6 113.5(3) 2_655 . ?

_olex2_submission_special_instructions 'No special instructions were received'
