Silver(i) coordination by variants of the bis(diphenylphosphino)amine chalcogenide ligandElectronic supplementary information (ESI) available: tables of crystal data. See http://www.rsc.org/suppdata/dt/b1/b105154g/
Wilton-Ely, James D. E. T.; Schier, Annette; Schmidbaur, Hubert; Journal of the Chemical Society, Dalton Transactions  (2001) 3647–; doi:10.1039/b105154g

data_7010912
_publ_section_title
;
 Silver(i) coordination by variants of the bis(diphenylphosphino)amine
 chalcogenide ligandElectronic supplementary information (ESI)
 available: tables of crystal data. See
 http://www.rsc.org/suppdata/dt/b1/b105154g/
;
_journal_issue                   24
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3647
_journal_paper_doi               10.1039/b105154g
_journal_year                    2001
_chemical_formula_sum            'C51 H51 Ag Br N2 O1.5 P4 Se2'
_chemical_formula_weight         1185.52
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   'geom (CH), difmap (NH, OH)'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                102.491(1)
_cell_angle_beta                 98.362(1)
_cell_angle_gamma                92.744(1)
_cell_formula_units_Z            4
_cell_length_a                   10.3900(1)
_cell_length_b                   17.3447(3)
_cell_length_c                   29.5465(5)
_cell_measurement_reflns_used    116262
_cell_measurement_temperature    293(2)
_cell_volume                     5125.94(14)
_computing_cell_refinement       SCALEPACK
_computing_data_collection       XPRESS
_computing_data_reduction        DENZO
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.853
_diffrn_measured_fraction_theta_max 0.853
_diffrn_measurement_device_type  'NONIUS DIP 2020'
_diffrn_measurement_method       phi-rotation
_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  0.044
_diffrn_reflns_av_sigmaI/netI    0.038
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            116262
_diffrn_reflns_theta_full        27.09
_diffrn_reflns_theta_max         27.09
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    2.757
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2372
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.234
_refine_diff_density_min         -0.962
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    'riding (CH), isotropical (NH), Uisofix (OH)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1136
_refine_ls_number_reflns         19290
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0274P)^2^+12.2799P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0857
_refine_ls_wR_factor_ref         0.0906
_reflns_number_gt                15979
_reflns_number_total             19290
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b105154g.txt
_cod_data_source_block           jam23
_cod_original_cell_volume        5125.94(13)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C51 H51 Ag Br N2 O1.50 P4 Se2'
_cod_database_code               7010912