Luminescent coordination polymer gels based on rigid terpyridyl phosphine and Ag(i).
Tan, Xin; Chen, Xue; Zhang, Jianyong; Su, Cheng-Yong; Dalton transactions (Cambridge, England : 2003) 41 (2012) 3616–3619; doi:10.1039/c2dt00035k

data_7018292
_publ_section_title
;
 Luminescent coordination polymer gels based on rigid terpyridyl phosphine
 and Ag(i).
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3616
_journal_page_last               3619
_journal_paper_doi               10.1039/c2dt00035k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C67 H48 Ag F3 N6 O3 P2 S'
_chemical_formula_weight         1243.98
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 103.282(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0247(2)
_cell_length_b                   28.8156(4)
_cell_length_c                   20.0865(4)
_cell_measurement_reflns_used    7958
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      62.4223
_cell_measurement_theta_min      3.0647
_cell_volume                     5647.14(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0393
_diffrn_reflns_av_sigmaI/netI    0.0339
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            16501
_diffrn_reflns_theta_full        62.51
_diffrn_reflns_theta_max         62.51
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    4.280
_exptl_absorpt_correction_T_max  0.8145
_exptl_absorpt_correction_T_min  0.2793
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.463
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2544
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.398
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.057
_refine_ls_extinction_coef       0.000065(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     404
_refine_ls_number_reflns         4494
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0278
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0361P)^2^+3.2869P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0711
_reflns_number_gt                4178
_reflns_number_total             4494
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt00035k.txt
_cod_data_source_block           Ag-OTf
_cod_original_cell_volume        5647.13(18)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7018292