(6-Carboxylatopyridine-2-carboxylic acid-κ^2^<i>N</i>,<i>O</i>)(pyridine-2,6-dicarboxylic acid-κ^2^<i>N</i>,<i>O</i>)silver(I) dihydrate
Wang, Yue; Odoko, Mamiko; Okabe, Nobuo; Acta Crystallographica Section E 60 (2004) m1178–m1180; doi:10.1107/S1600536804018033

data_2204070
_publ_section_title
;
 (6-Carboxylatopyridine-2-carboxylic
 acid-\k^2^<i>N</i>,<i>O</i>)(pyridine-2,6-dicarboxylic
 acid-\k^2^<i>N</i>,<i>O</i>)silver(I) dihydrate
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1178
_journal_page_last               m1180
_journal_paper_doi               10.1107/S1600536804018033
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag (C7 H4 N O4) (C7 H5 N O4)], 2H2 O'
_chemical_formula_moiety         'C14 H9 Ag N2 O8, 2H2 O'
_chemical_formula_sum            'C14 H13 Ag N2 O10'
_chemical_formula_weight         477.13
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                95.92(4)
_cell_angle_beta                 102.76(5)
_cell_angle_gamma                98.04(4)
_cell_formula_units_Z            2
_cell_length_a                   6.934(9)
_cell_length_b                   8.103(8)
_cell_length_c                   15.10(2)
_cell_measurement_reflns_used    7457
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     811.4(17)
_computing_cell_refinement       'Crystal Structure and CRYSTALS'
_computing_data_collection
;
Crystal Structure (Rigaku & Rigaku/MSC, 2000-2004) and
CRYSTALS (Watkin et al., 1996)
;
_computing_data_reduction        'Crystal Structure and CRYSTALS'
_computing_molecular_graphics    'ORTEP III (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'SHELXL97 (Scheldrick, 1997)'
_computing_structure_solution
'SIR97 (Altomare et al., 1999) and DIRDIF (Beurskens et al., 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9906
_diffrn_measured_fraction_theta_max 0.9906
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7969
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.305
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  0.676
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.953
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             476.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.59
_refine_diff_density_min         -0.51
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3685
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0439P)^2^+0.3231P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0790
_reflns_number_gt                3326
_reflns_number_total             3685
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            ob6386.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -p_1
_cod_database_code               2204070