A 2D Ag(I) layered coordination polymer based on pyridyl diphosphine: structure and selective sorption properties via weak C‒H⋯F/O interactions
Wang, Xiaobing; Feng, Jingzhi; Huang, Jing; Zhang, Jianyong; Pan, Mei; Su, Cheng-Yong; CrystEngComm 12 (2010) 725–; doi:10.1039/b916921k

data_7211906
_publ_section_title
;
 A 2D Ag(I) layered coordination polymer based on pyridyl diphosphine:
 structure and selective sorption properties via weak C--H&#x22EF;F/O
 interactions
;
_journal_issue                   3
_journal_name_full               CrystEngComm
_journal_page_first              725
_journal_paper_doi               10.1039/b916921k
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C39 H34 Ag F3 N2 O4 P2 S'
_chemical_formula_weight         853.58
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.061(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.0632(2)
_cell_length_b                   17.6269(3)
_cell_length_c                   16.0409(2)
_cell_measurement_reflns_used    3947
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      60.7797
_cell_measurement_theta_min      3.7366
_cell_volume                     3672.99(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0562
_diffrn_reflns_av_sigmaI/netI    0.0820
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15259
_diffrn_reflns_theta_full        60.87
_diffrn_reflns_theta_max         60.87
_diffrn_reflns_theta_min         3.74
_exptl_absorpt_coefficient_mu    6.264
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.76854
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         4.110
_refine_diff_density_min         -1.723
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    geom
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         5462
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0982
_refine_ls_R_factor_gt           0.0670
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.005
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1679
_refine_ls_wR_factor_ref         0.1800
_reflns_number_gt                3797
_reflns_number_total             5462
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b916921k.txt
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7211906