Solution and solid-state structural properties of silver(I) dihydrobis(pyrazolyl)borate compounds with tertiary mono(phosphine) ligands †
Lobbia, Giancarlo Gioia; Pellei, Maura; Pettinari, Claudio; Santini, Carlo; Skelton, Brian W.; White, Allan H.; Journal of the Chemical Society, Dalton Transactions  (2000) 2123–; doi:10.1039/b001168l

data_7009446
_publ_section_title
;
 Solution and solid-state structural properties of silver(I)
 dihydrobis(pyrazolyl)borate compounds with tertiary mono(phosphine)
 ligands&#x200A;&#x2020;
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2123
_journal_paper_doi               10.1039/b001168l
_journal_year                    2000
_chemical_formula_sum            'C42 H38 Ag B N4 P2'
_chemical_formula_weight         779.42
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00000
_cell_angle_beta                 94.93(2)
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   13.154(2)
_cell_length_b                   14.724(2)
_cell_length_c                   19.690(3)
_cell_measurement_reflns_used    8
_cell_measurement_temperature    293
_cell_measurement_theta_max      18.4
_cell_measurement_theta_min      17.9
_cell_volume                     3799.4(10)
_computing_cell_refinement       'Enraf Nonius software'
_computing_data_collection       'Enraf Nonius software'
_computing_data_reduction        xtal
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  xtal
_computing_structure_solution    xtal
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type
;
 CAD4 diffractometer
;
_diffrn_measurement_method       '2\q-\w scans'
_diffrn_radiation_detector       'single counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            11068
_diffrn_reflns_theta_max         30.0
_diffrn_reflns_theta_min         1.2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         8
_exptl_absorpt_coefficient_mu    .65
_exptl_absorpt_correction_T_max  .85
_exptl_absorpt_correction_T_min  .81
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
 XTAL absorb                 
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.363
_exptl_crystal_description       prism
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.98
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          .26
_refine_diff_density_max         .89
_refine_diff_density_min         -.89
_refine_ls_goodness_of_fit_all   1.553
_refine_ls_goodness_of_fit_ref   1.761
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     604
_refine_ls_number_reflns         7326
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .069
_refine_ls_R_factor_gt           .0457
_refine_ls_shift/su_max          .0279
_refine_ls_shift/su_mean         .00131
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .052
_refine_ls_wR_factor_ref         .0477
_reflns_limit_h_max              18
_reflns_limit_h_min              0
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              27
_reflns_limit_l_min              -27
_reflns_number_gt                7326
_reflns_number_total             11068
_reflns_threshold_expression     'I    > 3.00 sig(I   )'
_cod_data_source_file            b001168l.txt
_cod_data_source_block           bbtp
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      P_1_21/c_1
_cod_original_formula_sum        'C42 H38 Ag1 B1 N4 P2'
_cod_database_code               7009446