Gold derivatives of scorpionates: comparison with the other coinage metal poly(pyrazolyl)borate analogues.
Gioia Lobbia, Giancarlo; Hanna, John V.; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.; Dalton transactions (Cambridge, England : 2003)  (2004) 951–958; doi:10.1039/b316815h

data_7013974
_publ_section_title
;
 Gold derivatives of scorpionates: comparison with the other coinage
 metal poly(pyrazolyl)borate analogues.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              951
_journal_page_last               958
_journal_paper_doi               10.1039/b316815h
_journal_year                    2004
_chemical_formula_moiety         'C33 H37 B Cu N6 P, C18 H15 P'
_chemical_formula_sum            'C51 H52 B Cu N6 P2'
_chemical_formula_weight         885.32
_space_group_IT_number           205
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_audit_creation_date             03-07-27
_audit_creation_method           Xtal3.6
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   21.075(4)
_cell_length_b                   21.075(4)
_cell_length_c                   21.075(4)
_cell_measurement_reflns_used    8497
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      2.15
_cell_volume                     9361(3)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type
;
Bruker SMART CCD diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_detector       'CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .12
_diffrn_reflns_av_sigmaI/netI    .137
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            88102
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_diffrn_reflns_theta_min         1.67
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .576
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  .86
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3712
_exptl_crystal_size_max          .18
_exptl_crystal_size_mid          .14
_exptl_crystal_size_min          .08
_refine_diff_density_max         1.967
_refine_diff_density_min         -.696
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.039
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     187
_refine_ls_number_reflns         1890
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .168
_refine_ls_R_factor_gt           .097
_refine_ls_shift/su_max          .02
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .198
_refine_ls_wR_factor_ref         .158
_reflns_d_resolution_high        .801
_reflns_d_resolution_low         12.138
_reflns_Friedel_coverage         0
_reflns_limit_h_max              15
_reflns_limit_h_min              0
_reflns_limit_k_max              26
_reflns_limit_k_min              0
_reflns_limit_l_max              26
_reflns_limit_l_min              1
_reflns_number_gt                1890
_reflns_number_total             3206
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b316815h.txt
_cod_data_source_block           cpcutp
_cod_original_cell_volume        9361(5)
_cod_original_sg_symbol_Hall     -p_2ac_2ab_3
_cod_original_sg_symbol_H-M      P_a_-3
_cod_original_formula_sum        'C51 H52 B1 Cu1 N6 P2'
_cod_database_code               7013974