Synthesis, structure, and condensed-phase reactivity of [Ag<sub>3</sub>(μ<sub>3</sub>-H)(μ<sub>3</sub>-BH<sub>4</sub>)L<sup>Ph</sup><sub>3</sub>](BF<sub>4</sub>) (L<sup>Ph</sup> = bis(diphenylphosphino)amine) with CS<sub>2</sub>.
Ma, Howard Z.; White, Jonathan M.; Mulder, Roger J.; Reid, Gavin E.; Canty, Allan J.; O'Hair, Richard A J; Dalton transactions (Cambridge, England : 2003) 47 (2018) 14713–14725; doi:10.1039/c8dt02437e

data_7047705
_publ_section_title
;
 Synthesis, structure, and condensed-phase reactivity of
 [Ag<sub>3</sub>(\m<sub>3</sub>-H)(\m<sub>3</sub>-BH<sub>4</sub>)L<sup>Ph</sup><sub>3</sub>](BF<sub>4</sub>)
 (L<sup>Ph</sup> = bis(diphenylphosphino)amine) with CS<sub>2</sub>.
;
_journal_issue                   41
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14713
_journal_page_last               14725
_journal_paper_doi               10.1039/c8dt02437e
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C72 H68 Ag3 B2 F4 N3 O0 P6'
_chemical_formula_weight         1582.34
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2018-06-12 deposited with the CCDC.
2018-09-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.712(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.3179(4)
_cell_length_b                   22.8489(4)
_cell_length_c                   21.3193(6)
_cell_measurement_reflns_used    10503
_cell_measurement_temperature    130.00(10)
_cell_measurement_theta_max      75.9040
_cell_measurement_theta_min      4.4620
_cell_volume                     8105.9(4)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43 (Rigaku OD, 2015)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      130.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.2273
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0659
_diffrn_reflns_av_unetI/netI     0.0627
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            61728
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         77.115
_diffrn_reflns_theta_min         3.869
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    7.254
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_description       needle
_exptl_crystal_F_000             3192
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.054
_exptl_crystal_size_min          0.033
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     876
_refine_ls_number_reflns         16930
_refine_ls_number_restraints     1178
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0767
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0763P)^2^+6.9158P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1379
_refine_ls_wR_factor_ref         0.1549
_reflns_Friedel_coverage         0.000
_reflns_number_gt                12574
_reflns_number_total             16930
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt02437e2.cif
_cod_data_source_block           shelx
_cod_depositor_comments          'Adding full bibliography for 7047705.cif.'
_cod_database_code               7047705
_shelx_shelxl_version_number     2016/6
_chemical_oxdiff_usercomment     'Howard Ma/ROH  Ag3 (Ph4P2N3)3 BF4'
_oxdiff_exptl_absorpt_empirical_full_min 0.577
_oxdiff_exptl_absorpt_empirical_full_max 1.489
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              52997
_shelx_fab_checksum              55515