The first luminescent tetranuclear copper(i) μ4-phosphinidene complex
Wing-Wah Yam, Vivian; Chung-Chin Cheng, Eddie; Zhu, Nianyong; Chemical Communications  (2001) 1028–; doi:10.1039/b101284n

data_7114951
_publ_section_title
;
 The first luminescent tetranuclear copper(i) \m4-phosphinidene complex
;
_journal_issue                   11
_journal_name_full               'Chemical Communications'
_journal_page_first              1028
_journal_paper_doi               10.1039/b101284n
_journal_year                    2001
_chemical_formula_moiety         'C80 H80 B2 Cu5 F8 P10'
_chemical_formula_sum            'C108 H97 B2 Cl4 Cu4 F8 P9'
_chemical_formula_weight         2243.17
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.27(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.456(2)
_cell_length_b                   28.797(3)
_cell_length_c                   25.340(3)
_cell_measurement_reflns_used    'all reflections'
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      25.45
_cell_measurement_theta_min      1.41
_cell_volume                     10546(2)
_computing_data_reduction        'DENZO (Otwinowski and Minor, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'MAR IPDS'
_diffrn_measurement_method       oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0629
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            31947
_diffrn_reflns_theta_full        25.45
_diffrn_reflns_theta_max         25.45
_diffrn_reflns_theta_min         1.41
_exptl_absorpt_coefficient_mu    1.094
_exptl_crystal_colour            orange-red
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             4584
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.695
_refine_diff_density_min         -0.607
_refine_diff_density_rms         0.112
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.409(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1167
_refine_ls_number_reflns         17709
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0601
_refine_ls_R_factor_gt           0.0513
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1041P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1381
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                15296
_reflns_number_total             17709
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b101284n.txt
_cod_data_source_block           mar37
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7114951