Hydrogen-bonded layers directed by the [3-O~3~S‒C~6~H~4~‒PO~3~H]^2{-^} dianion: <i>catena</i>-poly[[silver(I)-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and <i>catena</i>-poly[[[tetraaquacobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]
Du, Zi-Yi; Liu, Qing-Yan; Wen, He-Rui; Xie, Yong-Rong; Huang, Jian-Jun; Acta Crystallographica Section C 64 (2008) m353–m357; doi:10.1107/S0108270108028072

data_2016830
_publ_section_title
;Hydrogen-bonded layers directed by the [3-O~3~S--C~6~H~4~--PO~3~H]^2{-^}
 dianion:
 <i>catena</i>-poly[[silver(I)-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate trihydrate] and
 <i>catena</i>-poly[[[tetraaquacobalt(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 3-[hydroxy(oxido)phosphinoyl]benzenesulfonate]
;
_journal_coeditor_code           GA3106
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m353
_journal_page_last               m357
_journal_paper_doi               10.1107/S0108270108028072
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Ag2 (C10 H8 N2)2] (C6 H5 O6 P S) , 3H2 O'
_chemical_formula_moiety         '2C10 H8 Ag N2 + , C6 H5 O6 P S 2- , 3H2 O'
_chemical_formula_sum            'C26 H27 Ag2 N4 O9 P S'
_chemical_formula_weight         818.29
_chemical_name_systematic
;
<i>catena</i>-Poly[(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')silver(I)]
hydrogen 3-phosphonatobenzenesulfonate trihydrate]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.539(3)
_cell_length_b                   17.472(4)
_cell_length_c                   22.623(4)
_cell_measurement_reflns_used    7948
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.0324
_cell_volume                     5747(2)
_computing_cell_refinement
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2000)
;
_computing_data_collection
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2000)
;
_computing_data_reduction
;
CrystalClear (Molecular Structure Corporation & Rigaku, 2000)
;
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \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  0.0233
_diffrn_reflns_av_sigmaI/netI    0.0170
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            42765
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.552
_exptl_absorpt_correction_T_max  0.834
_exptl_absorpt_correction_T_min  0.796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'(CrystalClear; Molecular Structure Corporation & Rigaku, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.546
_refine_diff_density_min         -0.440
_refine_ls_extinction_coef       0.00031(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     434
_refine_ls_number_reflns         6577
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0359
_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^)+(0.0270P)^2^+8.9577P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0766
_refine_ls_wR_factor_ref         0.0783
_reflns_number_gt                6186
_reflns_number_total             6577
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ga3106.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      Pbcn
_cod_database_code               2016830
_cod_database_fobs_code          2016830