Poly[[diaquabis(μ~2~-isonicotinato-κ^2^<i>N</i>:<i>O</i>)bis(μ~3~-isonicotinato-κ^3^<i>N</i>:<i>O</i>:<i>O</i>')neodymium(III)disilver(I)] nitrate monohydrate]
Zhan, Qing-Guang; Huang, Jie-Xuan; Zeng, Rong-Hua; Acta Crystallographica Section E 65 (2009) m1434–m1435; doi:10.1107/S1600536809042342

data_2223850
_publ_section_title
;Poly[[diaquabis(\m~2~-isonicotinato-\k^2^<i>N</i>:<i>O</i>)bis(\m~3~-isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')neodymium(III)disilver(I)]
 nitrate monohydrate]
;
_journal_coeditor_code           HY2237
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1434
_journal_page_last               m1435
_journal_paper_doi               10.1107/S1600536809042342
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ag2 Nd (C6 H4 N O2)4 (H2 O)2] N O3, H2 O'
_chemical_formula_moiety         'C24 H20 Ag2 N4 Nd O10 +, N O3 -, H2 O'
_chemical_formula_sum            'C24 H22 Ag2 N5 Nd O14'
_chemical_formula_weight         964.45
_chemical_name_systematic
;
Poly[[diaquabis(\m~2~-isonicotinato-\k^2^<i>N</i>:<i>O</i>)bis(\m~3~-
isonicotinato-\k^3^<i>N</i>:<i>O</i>:<i>O</i>')neodymium(III)disilver(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                 95.8490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.9648(19)
_cell_length_b                   24.793(3)
_cell_length_c                   6.7770(8)
_cell_measurement_reflns_used    3327
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.89
_cell_measurement_theta_min      2.41
_cell_volume                     2835.6(6)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0432
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            14629
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.64
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.253
_exptl_absorpt_correction_T_max  0.5920
_exptl_absorpt_correction_T_min  0.5216
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.910
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         5092
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0477
_refine_ls_R_factor_gt           0.0321
_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^)+(0.0268P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                4024
_reflns_number_total             5092
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2237.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        2835.7(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2223850
_cod_database_fobs_code          2223850