Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt<sub>4</sub>(μ-H)(cod)<sub>4</sub>]BF<sub>4</sub>.
He, Fengkai; Gourlaouen, Christophe; Pang, Huan; Braunstein, Pierre; Chemical communications (Cambridge, England) 57 (2021) 10039–10042; doi:10.1039/d1cc03673d

data_7128936
_publ_section_title
;
 Imidazolium salts and [Pt(cod)<sub>2</sub>]: from NHC hydrido complexes
 to the unprecedented olefinic tetrahedral cluster
 [Pt<sub>4</sub>(\m-H)(cod)<sub>4</sub>]BF<sub>4</sub>.
;
_journal_issue                   78
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              10039
_journal_page_last               10042
_journal_paper_doi               10.1039/d1cc03673d
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C32 H51 Pt4, B F4'
_chemical_formula_sum            'C32 H51 B F4 Pt4'
_chemical_formula_weight         1302.90
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-29 deposited with the CCDC.	2021-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 132.571(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.3229(16)
_cell_length_b                   12.7436(12)
_cell_length_c                   15.3117(14)
_cell_measurement_reflns_used    2945
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      2568
_cell_measurement_theta_min      2.64
_cell_volume                     3064.1(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0938
_diffrn_reflns_av_unetI/netI     0.0955
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.965
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19035
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.965
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.226
_diffrn_reflns_theta_min         1.806
_exptl_absorpt_coefficient_mu    18.252
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.824
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_refine_diff_density_max         5.517
_refine_diff_density_min         -4.134
_refine_diff_density_rms         0.520
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     171
_refine_ls_number_reflns         4407
_refine_ls_number_restraints     38
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0637
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.057
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0491P)^2^+480.4675P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1554
_refine_ls_wR_factor_ref         0.1711
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3319
_reflns_number_total             4407
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1cc03673d2.cif
_cod_data_source_block           e4806a_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'none' was changed to
'?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7128934--7128937.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7128936
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.263
_shelx_estimated_absorpt_t_max   0.462
_shelx_res_checksum              65518