An Asymmetric Pt Diimine Acetylide Complex Providing Unique Luminescent Multinuclear Sandwich Complexes with Cu Salts
Horiuchi, Shinnosuke; Hiroiwa, Hirotaka; Sakuda, Eri; Arikawa, Yasuhiro; Umakoshi, Keisuke; Chemical Communications  (2022) –; doi:10.1039/D1CC07108D

data_7129712
_publ_section_title
;
 An Asymmetric Pt Diimine Acetylide Complex Providing Unique Luminescent
 Multinuclear Sandwich Complexes with Cu Salts
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D1CC07108D
_journal_year                    2022
_chemical_formula_moiety         'C143 H130 B3 Cl14 Cu3 F32 N8 Pt4'
_chemical_formula_sum            'C143 H130 B3 Cl14 Cu3 F32 N8 Pt4'
_chemical_formula_weight         4068.37
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_update_record
;
2021-12-02 deposited with the CCDC.	2022-02-15 downloaded from the CCDC.
;
_cell_angle_alpha                90.0000
_cell_angle_beta                 106.5884(13)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   17.5253(16)
_cell_length_b                   34.487(3)
_cell_length_c                   25.961(2)
_cell_measurement_reflns_used    47788
_cell_measurement_temperature    93
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      1.64
_cell_volume                     15038(2)
_computing_cell_refinement       DTREK
_computing_data_collection       DTREK
_computing_data_reduction        DTREK
_computing_molecular_graphics    'CrystalStructure 4.2'
_computing_publication_material  'CrystalStructure 4.2 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 29.257
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku Saturn70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0613
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       47
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            146936
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.161
_diffrn_reflns_theta_min         1.637
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.448
_exptl_absorpt_correction_T_max  0.641
_exptl_absorpt_correction_T_min  0.429
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             7936.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2, hexane'
_exptl_crystal_size_max          0.390
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.43
_refine_diff_density_min         -3.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1864
_refine_ls_number_reflns         40041
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0665
_refine_ls_R_factor_gt           0.0504
_refine_ls_shift/su_max          0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0831P)^2^+4.5501P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1248
_refine_ls_wR_factor_ref         0.1513
_reflns_Friedel_coverage         0.000
_reflns_number_gt                32057
_reflns_number_total             40041
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d1cc07108d2.cif
_cod_data_source_block           2065e
_cod_database_code               7129712
_shelx_res_checksum              29398
_shelx_hkl_checksum              66302