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_7111040
_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         '(C50 H38 N6 O6 S2 Zn1 Re2) 2 (P1 F6)'
_chemical_formula_sum            'C50 H38 F12 N6 O6 P2 Re2 S2 Zn'
_chemical_formula_weight         1610.73
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Fri Jan  7 16:45:59 2000'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                74.30(2)
_cell_angle_beta                 85.20(2)
_cell_angle_gamma                79.10(2)
_cell_formula_units_Z            2
_cell_length_a                   12.107(5)
_cell_length_b                   12.348(5)
_cell_length_c                   20.271(4)
_cell_measurement_reflns_used    22
_cell_measurement_temperature    301.2
_cell_measurement_theta_max      15.6
_cell_measurement_theta_min      12.7
_cell_volume                     2863.1(18)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_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       AFC7R
_diffrn_measurement_method       'omega scans with profile analysis'
_diffrn_orient_matrix_UB_11      0.01753
_diffrn_orient_matrix_UB_12      -0.02811
_diffrn_orient_matrix_UB_13      0.04972
_diffrn_orient_matrix_UB_21      -0.04178
_diffrn_orient_matrix_UB_22      0.07370
_diffrn_orient_matrix_UB_23      0.00783
_diffrn_orient_matrix_UB_31      0.07093
_diffrn_orient_matrix_UB_32      0.03278
_diffrn_orient_matrix_UB_33      -0.00976
_diffrn_radiation_detector       ' scintillation counter '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoKalpha
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  5.38
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10397
_diffrn_reflns_theta_max         25.00
_diffrn_standards_decay_%        -1.26
_diffrn_standards_interval_count 300
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.855
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.573
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   psi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.868
_exptl_crystal_density_meas      0.000
_exptl_crystal_description       plate
_exptl_crystal_F_000             1556.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.17
_refine_diff_density_min         -1.42
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.342
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     730
_refine_ls_number_reflns         6087
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.0530
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0425
_reflns_number_observed          6087
_reflns_number_total             9885
_reflns_observed_criterion       3.00
_cod_data_source_file            b005092jsup1.cif
_cod_data_source_block           afc798_Yam_complex_2_26_10_1998
_cod_original_cell_volume        2863(3)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C50 H38 F12 N6 O6 P2 S2 Re2 Zn '
_cod_database_code               7111040