Ring, polymer and network structures in silver(i) complexes with dipyridyl and diphosphine ligands
Brandys, Marie-Claude; Puddephatt, Richard J.; Chemical Communications  (2001) 1508–; doi:10.1039/b104857k

data_7114779
_publ_section_title
;
 Ring, polymer and network structures in silver(i) complexes with
 dipyridyl and diphosphine ligands
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1508
_journal_paper_doi               10.1039/b104857k
_journal_year                    2001
_chemical_formula_sum            'C48 H50 Ag2 F6 N2 O6 P2'
_chemical_formula_weight         1142.58
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                83.85(3)
_cell_angle_beta                 73.80(3)
_cell_angle_gamma                62.91(3)
_cell_formula_units_Z            1
_cell_length_a                   9.7472(19)
_cell_length_b                   9.5883(19)
_cell_length_c                   15.104(3)
_cell_measurement_temperature    150(2)
_cell_volume                     1206.5(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.870
_diffrn_measured_fraction_theta_max 0.870
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1114
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4358
_diffrn_reflns_theta_full        23.53
_diffrn_reflns_theta_max         23.53
_diffrn_reflns_theta_min         2.61
_exptl_absorpt_coefficient_mu    0.950
_exptl_absorpt_correction_T_max  0.9540
_exptl_absorpt_correction_T_min  0.8628
_exptl_crystal_density_diffrn    1.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             578
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.751
_refine_diff_density_rms         0.116
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.56(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     518
_refine_ls_number_reflns         4358
_refine_ls_number_restraints     273
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0795
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.239
_refine_ls_shift/su_mean         0.026
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0241P)^2^+6.0414P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1568
_reflns_number_gt                3534
_reflns_number_total             4358
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104857k.txt
_cod_data_source_block           00075mc2
_cod_original_cell_volume        1206.5(4)
_cod_database_code               7114779