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_7114777
_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            'C87 H69 Ag4 F12 N4 O9 P4'
_chemical_formula_weight         2097.82
_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                99.0080(10)
_cell_angle_beta                 95.106(2)
_cell_angle_gamma                96.283(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4879(2)
_cell_length_b                   15.2385(5)
_cell_length_c                   19.7575(5)
_cell_measurement_temperature    296(2)
_cell_volume                     3081.80(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_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  0.0260
_diffrn_reflns_av_sigmaI/netI    0.0437
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21543
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    0.737
_exptl_absorpt_correction_T_max  0.7095
_exptl_absorpt_correction_T_min  0.6079
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1047
_exptl_crystal_size_max          0.75
_exptl_crystal_size_mid          0.63
_exptl_crystal_size_min          0.50
_refine_diff_density_max         1.270
_refine_diff_density_min         -0.924
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     565
_refine_ls_number_reflns         13691
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.1236
_refine_ls_R_factor_gt           0.0836
_refine_ls_shift/su_max          0.195
_refine_ls_shift/su_mean         0.022
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.2000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2891
_refine_ls_wR_factor_ref         0.3344
_reflns_number_gt                8153
_reflns_number_total             13691
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b104857k.txt
_cod_data_source_block           00118i
_cod_original_cell_volume        3081.79(14)
_cod_database_code               7114777