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_7114778
_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            'C90 H80 Ag4 F12 N4 O8 P4'
_chemical_formula_weight         2128.94
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_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                80.72(3)
_cell_angle_beta                 86.72(3)
_cell_angle_gamma                75.02(3)
_cell_formula_units_Z            2
_cell_length_a                   15.079(3)
_cell_length_b                   17.850(4)
_cell_length_c                   20.232(4)
_cell_measurement_temperature    200(2)
_cell_volume                     5191(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0955
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29338
_diffrn_reflns_theta_full        26.09
_diffrn_reflns_theta_max         26.09
_diffrn_reflns_theta_min         2.74
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_T_max  0.9372
_exptl_absorpt_correction_T_min  0.7046
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2136
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         3.919
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1099
_refine_ls_number_reflns         20373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1616
_refine_ls_R_factor_gt           0.1168
_refine_ls_shift/su_max          0.174
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1668P)^2^+53.3256P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3223
_refine_ls_wR_factor_ref         0.3508
_reflns_number_gt                13493
_reflns_number_total             20373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104857k.txt
_cod_data_source_block           01001e
_cod_original_cell_volume        5190.7(18)
_cod_database_code               7114778