Poly[aqua[μ~5~-5-(isonicotinamido)isophthalato][μ~4~-5-(isonicotinamido)isophthalato]cerium(III)silver(I)]
Nie, Xue; Qu, Jing-Nian; Acta Crystallographica Section E 67 (2011) m1107–m1108; doi:10.1107/S1600536811027668

data_2231152
_publ_section_title
;
 Poly[aqua[\m~5~-5-(isonicotinamido)isophthalato][\m~4~-5-(isonicotinamido)isophthalato]cerium(III)silver(I)]
;
_journal_coeditor_code           HY2446
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1107
_journal_page_last               m1108
_journal_paper_doi               10.1107/S1600536811027668
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag Ce (C14 H8 N2 O5)2 (H2 O)]'
_chemical_formula_moiety         'C28 H18 Ag Ce N4 O11'
_chemical_formula_sum            'C28 H18 Ag Ce N4 O11'
_chemical_formula_weight         834.45
_chemical_name_systematic
;
Poly[aqua[\m~5~-5-(isonicotinamido)isophthalato][\m~4~-5-
(isonicotinamido)isophthalato]cerium(III)silver(I)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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                107.8530(10)
_cell_angle_beta                 106.778(2)
_cell_angle_gamma                102.885(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4869(14)
_cell_length_b                   11.1540(15)
_cell_length_c                   13.7276(18)
_cell_measurement_reflns_used    4777
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.04
_cell_volume                     1375.2(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0527
_diffrn_reflns_av_sigmaI/netI    0.0641
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            6903
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    2.418
_exptl_absorpt_correction_T_max  0.7940
_exptl_absorpt_correction_T_min  0.6434
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.015
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             814
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.395
_refine_diff_density_min         -1.444
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         4777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.969
_refine_ls_R_factor_all          0.0398
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0347P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0806
_reflns_number_gt                4178
_reflns_number_total             4777
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2446.cif
_cod_data_source_block           I
_cod_database_code               2231152
_cod_database_fobs_code          2231152