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_7009447
_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            'C24 H31 Ag B N4 P'
_chemical_formula_weight         525.19
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                93.451(2)
_cell_angle_beta                 91.594(2)
_cell_angle_gamma                96.641(2)
_cell_formula_units_Z            4
_cell_length_a                   8.9390(10)
_cell_length_b                   13.815(2)
_cell_length_c                   20.376(3)
_cell_measurement_reflns_used    6270
_cell_measurement_temperature    153
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     2493.3(6)
_computing_cell_refinement       'Siemens SAINT (Siemens, 1995)'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'xtal ADDREF SORTRF'
_computing_molecular_graphics    xtal
_computing_publication_material  'xtal BONDLA CIFIO'
_computing_structure_refinement  'xtal CRYLSQ'
_computing_structure_solution    xtal
_diffrn_ambient_temperature      153
_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  .030
_diffrn_reflns_av_sigmaI/netI    .043
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            28836
_diffrn_reflns_theta_max         29.16
_diffrn_reflns_theta_min         1.
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    .89
_exptl_absorpt_correction_T_max  .895
_exptl_absorpt_correction_T_min  .790
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS; Sheldrick, 1996
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_description       plate
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          .4
_exptl_crystal_size_mid          .2
_exptl_crystal_size_min          .15
_refine_diff_density_max         1.089
_refine_diff_density_min         -.567
_refine_ls_goodness_of_fit_all   1.267
_refine_ls_goodness_of_fit_ref   1.335
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     559
_refine_ls_number_reflns         10257
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .054
_refine_ls_R_factor_gt           .044
_refine_ls_shift/su_max          .024
_refine_ls_shift/su_mean         .002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .064
_refine_ls_wR_factor_ref         .062
_reflns_d_resolution_high        .729
_reflns_d_resolution_low         20.244
_reflns_Friedel_coverage         0
_reflns_limit_h_max              12
_reflns_limit_h_min              0
_reflns_limit_k_max              18
_reflns_limit_k_min              -18
_reflns_limit_l_max              27
_reflns_limit_l_min              -27
_reflns_number_gt                10257
_reflns_number_total             12173
_reflns_threshold_expression     'F    > 4.00 sig(F   )'
_cod_data_source_file            b001168l.txt
_cod_data_source_block           cp1g
_cod_original_sg_symbol_Hall     p_-1
_cod_original_sg_symbol_H-M      p_-1
_cod_original_formula_sum        'C24 H31 Ag1 B1 N4 P1'
_cod_database_code               7009447