A novel double-chain silver(I) coordination polymer: <i>catena</i>-poly[[[μ-aqua-aquadisilver(I)]-bis(μ~3~-5-methylpyrazine-2-carboxylato)] dihydrate]
Zhai, Bin; Zhang, Xiangfei; Xu, Maotian; Acta Crystallographica Section E 64 (2008) m1312–m1313; doi:10.1107/S160053680802984X

data_2219641
_publ_section_title
;A novel double-chain silver(I) coordination polymer:
 <i>catena</i>-poly[[[\m-aqua-aquadisilver(I)]-bis(\m~3~-5-methylpyrazine-2-carboxylato)]
 dihydrate]
;
_journal_coeditor_code           KJ2095
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1312
_journal_page_last               m1313
_journal_paper_doi               10.1107/S160053680802984X
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag2 (C6 H5 N2 O2)2 (H2 O)2] , 2H2 O'
_chemical_formula_moiety         'C12 H14 Ag2 N4 O6 , 2H2 O'
_chemical_formula_sum            'C12 H18 Ag2 N4 O8'
_chemical_formula_weight         562.04
_chemical_name_systematic
;
<i>catena</i>-poly[[[\m-aqua-aquadisilver(I)]-bis(\m~3~-5-methylpyrazine-2-
carboxylato)] dihydrate]
;
_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                107.5030(10)
_cell_angle_beta                 100.1850(10)
_cell_angle_gamma                103.1640(10)
_cell_formula_units_Z            2
_cell_length_a                   6.9481(5)
_cell_length_b                   10.1827(8)
_cell_length_c                   13.4830(10)
_cell_measurement_reflns_used    2098
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.75
_cell_measurement_theta_min      3.12
_cell_volume                     854.39(11)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2003)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0140
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            4422
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    2.343
_exptl_absorpt_correction_T_max  0.698000
_exptl_absorpt_correction_T_min  0.581000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.185
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.393
_refine_diff_density_min         -0.512
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         2982
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0335
_refine_ls_R_factor_gt           0.0274
_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^)+(0.0298P)^2^+0.2298P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0712
_reflns_number_gt                2518
_reflns_number_total             2982
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kj2095.cif
_cod_data_source_block           I
_cod_original_cell_volume        854.40(10)
_cod_database_code               2219641
_cod_database_fobs_code          2219641