Syntheses and structural characterization of novel luminescent heteronuclear rhenium(i)‒zinc(ii) and ‒cadmium(ii) chalcogenolate complexes
Yam, Vivian Wing-Wah; Pui, Yung-Lin; Wong, Keith Man-Chung; Cheung, Kung-Kai; Chemical Communications  (2000) 1751–; doi:10.1039/b005092j

data_7111041
_publ_contact_author
;
    ENTER NAME
 ENTER ADDRESS
;
_publ_section_title
;
 Syntheses and structural characterization of novel luminescent
 heteronuclear rhenium(i)--zinc(ii) and --cadmium(ii) chalcogenolate
 complexes
;
_journal_issue                   18
_journal_name_full               'Chemical Communications'
_journal_page_first              1751
_journal_paper_doi               10.1039/b005092j
_journal_year                    2000
_chemical_formula_moiety         '(C60 H46 N8 O6 S2 Cd1 Re2) 2(P1 F6)'
_chemical_formula_sum            'C60 H46 Cd F12 N8 O6 P2 Re2 S2'
_chemical_formula_weight         1813.95
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_audit_creation_date             'Fri Jan  7 18:28:51 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 106.34(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   13.691(2)
_cell_length_b                   15.663(3)
_cell_length_c                   15.551(3)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      0.0
_cell_measurement_theta_min      0.0
_cell_volume                     3200.1(10)
_computing_cell_refinement       'MAR Data Collection Software & DENZO'
_computing_data_collection       'MAR Data Collection Software & DENZO'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    'DIRDIF92 (PATTY)'
_diffrn_ambient_temperature      301.2
_diffrn_measurement_device       'MAR IPDS'
_diffrn_measurement_method       oscillation
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
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_diffrn_radiation_detector       'imaging plate'
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_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
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_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
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_diffrn_reflns_theta_max         25.47
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.312
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.882
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       prism
_exptl_crystal_F_000             1756.00
_exptl_crystal_size_max          0.350
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_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
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_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0380
_refine_ls_shift/esd_max         1.9380
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0563
_reflns_number_observed          4914
_reflns_number_total             6102
_reflns_observed_criterion       3.00
_cod_data_source_file            b005092jsup1.cif
_cod_data_source_block           ip587_Yam_complex_4_08_11_1998
_cod_original_cell_volume        3200(1)
_cod_original_sg_symbol_H-M      'P 2/n      '
_cod_original_formula_sum        'C60 H46 Cd F12 N8 O6 P2 S2 Re2 '
_cod_database_code               7111041