Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering.
Eliseeva, Anastasiya A.; Ivanov, Daniil M.; Novikov, Alexander S.; Rozhkov, Anton V.; Kornyakov, Ilya V.; Dubovtsev, Alexey Yu; Kukushkin, Vadim Yu; Dalton transactions (Cambridge, England : 2003) 49 (2020) 356–367; doi:10.1039/c9dt04221k

data_7703145
_publ_section_title
;
 Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen
 bond involving crystal engineering.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              356
_journal_page_last               367
_journal_paper_doi               10.1039/c9dt04221k
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'I3 Pt, C6 F5 I, C8 H20 N'
_chemical_formula_sum            'C14 H20 F5 I4 N Pt'
_chemical_formula_weight         1000.00
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2019-05-24
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2019-08-05 deposited with the CCDC.	2019-12-03 downloaded from the CCDC.
;
_cell_angle_alpha                84.162(3)
_cell_angle_beta                 80.035(3)
_cell_angle_gamma                67.019(3)
_cell_formula_units_Z            2
_cell_length_a                   7.4631(3)
_cell_length_b                   8.8084(3)
_cell_length_c                   19.7624(7)
_cell_measurement_reflns_used    13395
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.2910
_cell_measurement_theta_min      2.1200
_cell_volume                     1177.15(8)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.2096
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0337
_diffrn_reflns_av_unetI/netI     0.0267
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17540
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.993
_diffrn_reflns_theta_min         2.686
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    11.243
_exptl_absorpt_correction_T_max  0.987
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.821
_exptl_crystal_description       prism
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.337
_refine_diff_density_min         -1.570
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     225
_refine_ls_number_reflns         5152
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0291
_refine_ls_R_factor_gt           0.0276
_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/[\s^2^(Fo^2^)+(0.0377P)^2^+2.8689P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0703
_refine_ls_wR_factor_ref         0.0713
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4934
_reflns_number_total             5152
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt04221k2.cif
_cod_data_source_block           2ver0-12448-eaa152
_cod_database_code               7703145
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
1. Others
 Fixed Uiso: H1A(0.032) H1B(0.032) H5A(0.027) H5B(0.027) H7A(0.031) H7B(0.031)
 H8A(0.052) H8B(0.052) H8C(0.052) H6A(0.049) H6B(0.049) H6C(0.049) H4A(0.047)
 H4B(0.047) H4C(0.047) H3A(0.027) H3B(0.027) H2A(0.058) H2B(0.058) H2C(0.058)
 Fixed X: H1A(0.8544) H1B(1.0325) H5A(0.8596) H5B(0.6767) H7A(0.7633)
 H7B(0.8838) H8A(1.0267) H8B(1.1476) H8C(1.0933) H6A(0.5787) H6B(0.6613)
 H6C(0.4772) H4A(0.4424) H4B(0.3514) H4C(0.5515) H3A(0.4958) H3B(0.6117)
 H2A(1.0275) H2B(1.0537) H2C(0.848)
 Fixed Y: H1A(-0.1666) H1B(-0.156) H5A(-0.1521) H5B(-0.1529) H7A(0.2171)
 H7B(0.2056) H8A(-0.0065) H8B(-0.0153) H8C(0.1384) H6A(-0.0633) H6B(0.0767)
 H6C(0.0852) H4A(-0.0292) H4B(0.1189) H4C(-0.0248) H3A(0.2048) H3B(0.2022)
 H2A(0.0622) H2B(-0.0931) H2C(0.0528)
 Fixed Z: H1A(0.2563) H1B(0.204) H5A(0.1151) H5B(0.1675) H7A(0.1175)
 H7B(0.1765) H8A(0.0653) H8B(0.1241) H8C(0.0728) H6A(0.0613) H6B(0.0566)
 H6C(0.1105) H4A(0.2481) H4B(0.2976) H4C(0.3084) H3A(0.1965) H3B(0.2557)
 H2A(0.2627) H2B(0.3124) H2C(0.315)
;
_shelx_res_checksum              43624
_olex2_submission_special_instructions 'No special instructions were received'