Poly[[μ~2~-1,4-bis(3-pyridylmethoxy)benzene-hemi-μ~2~-fumarato-silver(I)] monohydrate]
Shun-Li Li; Hong-Ye Bai; Jin Yang; Acta Crystallographica Section E 63 (2007) m2911–m2911; doi:10.1107/S1600536807054591

data_2216622
_publ_section_title
;
 Poly[[\m~2~-1,4-bis(3-pyridylmethoxy)benzene-hemi-\m~2~-fumarato-silver(I)]
 monohydrate]
;
_journal_coeditor_code           LH2537
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2911
_journal_page_last               m2911
_journal_paper_doi               10.1107/S1600536807054591
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag (C18 H16 N2 O2) (C4 H2 O4)0.5], H2 O'
_chemical_formula_moiety         'C20 H17 Ag N2 O4, H2 O'
_chemical_formula_sum            'C20 H19 Ag N2 O5'
_chemical_formula_weight         475.24
_chemical_name_systematic
;
Poly[[\m~2~-1,4-bis(3-pyridylmethoxy)benzene-hemi-\m~2~-fumarato-silver(I)]
hydrate]
;
_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                88.845(2)
_cell_angle_beta                 71.8670(10)
_cell_angle_gamma                77.047(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5730(8)
_cell_length_b                   9.7120(9)
_cell_length_c                   12.0990(11)
_cell_measurement_reflns_used    4127
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.53
_cell_measurement_theta_min      1.77
_cell_volume                     931.65(15)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.868
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0179
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5611
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.53
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_T_max  0.676
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.35
_refine_diff_density_max         1.170
_refine_diff_density_min         -0.568
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4127
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0405
_refine_ls_R_factor_gt           0.0339
_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^)+(0.0611P)^2^+0.3593P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0955
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                3629
_reflns_number_total             4127
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2537.cif
_cod_data_source_block           I
_cod_database_code               2216622
_cod_database_fobs_code          2216622