<i>catena</i>-Poly[aquasilver(I)-μ-4,4'-bipyridine] <i>catena</i>-poly[[aqua(naphthalene-1,4-dicarboxylato)silver(I)]-μ-4,4'-bipyridine] polyhydrate
Ling Ye; Ying Wu; Acta Crystallographica Section E 61 (2005) m1894–m1896; doi:10.1107/S1600536805026802

data_2207102
_publ_section_title
;<i>catena</i>-Poly[aquasilver(I)-\m-4,4'-bipyridine]
 <i>catena</i>-poly[[aqua(naphthalene-1,4-dicarboxylato)silver(I)]-\m-4,4'-bipyridine]
 polyhydrate
;
_journal_coeditor_code           XU6029
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1894
_journal_page_last               m1896
_journal_paper_doi               10.1107/S1600536805026802
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac
'[Ag (C10 H8 N2) (H2 O)] [Ag (C10 H8 N2) (C12 H6 O4) (H2 O)] , H2 O'
_chemical_formula_moiety
'C10 H10 Ag N2 O + , C22 H16 Ag N2 O5 - , H2 O'
_chemical_formula_sum            'C32 H28 Ag2 N4 O7'
_chemical_formula_weight         796.32
_chemical_name_systematic
;catena-Poly[aquasilver(I)-\m-4,4'-bipyridine]
catena-poly[[aqua(naphthalene-1,4-dicarboxylato)silver(I)]-\m-4,4'-bipyridine]
polyhydrate
;
_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           SHELXL97
_cell_angle_alpha                78.50(3)
_cell_angle_beta                 71.77(3)
_cell_angle_gamma                86.82(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5977(19)
_cell_length_b                   11.444(2)
_cell_length_c                   14.018(3)
_cell_measurement_reflns_used    10623
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.09
_cell_volume                     1433.0(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'Crystal Structure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.97
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_sigmaI/netI    0.0488
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13653
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         27.4
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.425
_exptl_absorpt_correction_T_max  0.710
_exptl_absorpt_correction_T_min  0.506
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.846
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.19
_refine_diff_density_min         -0.97
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.097
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         6361
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.050
_refine_ls_R_factor_gt           0.037
_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^)+(0.0401P)^2^+0.6543P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.090
_refine_ls_wR_factor_ref         0.096
_reflns_number_gt                4888
_reflns_number_total             6361
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu6029.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               2207102