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_7129713
_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         'C70 H62 Br4 Cl4 Cu4 F10 N4 Pt2'
_chemical_formula_sum            'C70 H62 Br4 Cl4 Cu4 F10 N4 Pt2'
_chemical_formula_weight         2255.06
_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                 93.292(6)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            2
_cell_length_a                   11.834(4)
_cell_length_b                   11.079(3)
_cell_length_c                   27.470(8)
_cell_measurement_reflns_used    8962
_cell_measurement_temperature    93
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      1.72
_cell_volume                     3595.6(19)
_computing_cell_refinement       DTREK
_computing_data_collection       DTREK
_computing_data_reduction        DTREK
_computing_molecular_graphics    'CrystalStructure 4.3'
_computing_publication_material  'CrystalStructure 4.3 (Rigaku, 2019)'
_computing_structure_refinement  'SHELXL Version 2018/3 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS Version 2013/1 (Sheldrick, 2008)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 29.257
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.984
_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  0.0562
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            38502
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.208
_diffrn_reflns_theta_min         1.916
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.470
_exptl_absorpt_correction_T_max  0.639
_exptl_absorpt_correction_T_min  0.517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2160.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CH2Cl2, hexane'
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.060
_refine_diff_density_max         2.93
_refine_diff_density_min         -2.88
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.163
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     442
_refine_ls_number_reflns         9594
_refine_ls_number_restraints     12
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0556
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0574P)^2^+17.2723P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1284
_refine_ls_wR_factor_ref         0.1393
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8163
_reflns_number_total             9594
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            d1cc07108d2.cif
_cod_data_source_block           2068b
_cod_original_cell_volume        3595.9(19)
_cod_database_code               7129713
_shelx_res_checksum              73197
_shelx_hkl_checksum              13561