Bis(μ-4-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>)bis[(2-aminopyridine-κ<i>N</i>)silver(I)]
Zhu, Hai-Liang; Qiu, Xiao-Yang; Yang, Song; Shao, Si-Chang; Ma, Ji-Long; Sun, Lin; Acta Crystallographica Section C 60 (2004) m170–m171; doi:10.1107/S0108270104003609

data_2014030
_publ_section_title
Bis(\m-4-chlorobenzoato-\k^2^<i>O</i>:<i>O</i>)bis[(2-aminopyridine-\k<i>N</i>)silver(I)]
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m170
_journal_page_last               m171
_journal_paper_doi               10.1107/S0108270104003609
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Ag2 (C7 H4 Cl1 O2)2 (C5 H6 N2)2]'
_chemical_formula_moiety         'C24 H20 Ag2 Cl2 N4 O4'
_chemical_formula_sum            'C24 H20 Ag2 Cl2 N4 O4'
_chemical_formula_weight         715.08
_chemical_name_systematic
;
4-chlorobenzoato-2-aminopyridinesilver(I)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 92.360(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.366(5)
_cell_length_b                   5.545(2)
_cell_length_c                   15.530(6)
_cell_measurement_reflns_used    1840
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      22.243
_cell_measurement_theta_min      2.838
_cell_volume                     1236.1(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0376
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5997
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.89
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.840
_exptl_absorpt_correction_T_max  0.8519
_exptl_absorpt_correction_T_min  0.5120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.921
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             704
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.807
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     163
_refine_ls_number_reflns         2179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.992
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0353
_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^)+(0.0606P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.1106
_reflns_number_gt                1566
_reflns_number_total             2179
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na1642.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1236.0(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2014030
_cod_database_fobs_code          2014030