Poly[[diaquabis(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')bis(μ~2~-isonicotinato-κ^2^<i>N</i>:<i>O</i>)gadolinium(III)disiliver(I)] nitrate monohydrate]
Fan, Le-Qing; Wu, Ji-Huai; Acta Crystallographica Section E 66 (2010) m1234–m1235; doi:10.1107/S1600536810035634

data_2227628
_publ_section_title
;
 Poly[[diaquabis(\m~3~-isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')bis(\m~2~-isonicotinato-\k^2^<i>N</i>:<i>O</i>)gadolinium(III)disiliver(I)]
 nitrate monohydrate]
;
_journal_coeditor_code           HY2346
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1234
_journal_page_last               m1235
_journal_paper_doi               10.1107/S1600536810035634
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag2 Gd (C6 H4 N O2)4 (H2 O)2] N O3, H2 O'
_chemical_formula_moiety         'C24 H20 Ag2 Gd N4 O10 +, N O3 -, H2 O'
_chemical_formula_sum            'C24 H22 Ag2 Gd N5 O14'
_chemical_formula_weight         977.46
_chemical_name_systematic
;
Poly[[diaquabis(\m~3~-isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')bis(\m~2~-
isonicotinato-\k^2^<i>N</i>:<i>O</i>)gadolinium(III)disiliver(I)] nitrate
monohydrate]
;
_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                 96.240(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.889(8)
_cell_length_b                   24.744(11)
_cell_length_c                   6.750(3)
_cell_measurement_reflns_used    6663
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4758
_cell_measurement_theta_min      3.0358
_cell_volume                     2804(2)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       '\w scans'
_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  0.0322
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            16445
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    3.803
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7033
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku, 2007)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.315
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.382
_refine_diff_density_min         -1.268
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     416
_refine_ls_number_reflns         4859
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0337
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0925P)^2^+0.0116P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1056
_refine_ls_wR_factor_ref         0.1290
_reflns_number_gt                4370
_reflns_number_total             4859
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2346.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2227628
_cod_database_fobs_code          2227628