Poly[diaqua(μ~2~-5-carboxypyridine-3-carboxylato-κ^2^<i>N</i>:<i>O</i>^3^)hemi(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)(μ~4~-pyridine-3,5-dicarboxylato-κ^4^<i>N</i>:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)silver(I)terbium(III)]
Guo, Hai-Fu; Qin, Liang; Hao, Xiang-Ying; Acta Crystallographica Section E 65 (2009) m1214–m1215; doi:10.1107/S1600536809036393

data_2223433
_publ_section_title
Poly[diaqua(\m~2~-5-carboxypyridine-3-carboxylato-\k^2^<i>N</i>:<i>O</i>^3^)hemi(\m~2~-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)(\m~4~-pyridine-3,5-dicarboxylato-\k^4^<i>N</i>:<i>O</i>^3^:<i>O</i>^3'^:<i>O</i>^5^)silver(I)terbium(III)]
_journal_coeditor_code           HY2227
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1214
_journal_page_last               m1215
_journal_paper_doi               10.1107/S1600536809036393
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac
'[Ag Tb (C7 H3 N O4) (C7 H4 N O4) (C2 O4)0.5 (H2 O)2]'
_chemical_formula_moiety         'C15 H11 Ag N2 O12 Tb'
_chemical_formula_sum            'C15 H11 Ag N2 O12 Tb'
_chemical_formula_weight         678.05
_chemical_name_systematic
;
\
Poly[diaqua(\m~2~-3-carboxypyridine-5-carboxylato-\k^2^<i>N</i>:<i>O</i>^5^)\
(hemi-\m~2~-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)\
(\m~4~-pyridine-3,5-dicarboxylato-\k^4^<i>N</i>:<i>O</i>^3^:<i>O</i>^3'^:\
<i>O</i>^5^)silver(I)terbium(III)]
;
_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                98.956(4)
_cell_angle_beta                 99.556(4)
_cell_angle_gamma                95.839(5)
_cell_formula_units_Z            2
_cell_length_a                   7.592(3)
_cell_length_b                   8.249(3)
_cell_length_c                   14.241(6)
_cell_measurement_reflns_used    3600
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      1.36
_cell_volume                     861.3(6)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0354
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4416
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         2.52
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.287
_exptl_absorpt_correction_T_max  0.378
_exptl_absorpt_correction_T_min  0.251
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.615
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             646
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.853
_refine_diff_density_min         -0.793
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         3032
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.091
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0231
_refine_ls_shift/su_max          0.049
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0323P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0609
_refine_ls_wR_factor_ref         0.0617
_reflns_number_gt                2862
_reflns_number_total             3032
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2227.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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 'Triclinic' changed to 'triclinic'
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_database_code               2223433
_cod_database_fobs_code          2223433