Poly[bis(3,5-dinitrobenzoato-<i>O</i>^1^:<i>O</i>^2^)disilver(I)-<i>O</i>^2^:<i>Ag</i>;<i>Ag</i>':<i>O</i>^2'^]
Ülkü, D.; Tahir, M. N.; Movsumov, E. M.; Acta Crystallographica Section C 52 (1996) 2678–2680; doi:10.1107/S0108270196009298

data_2005592
_publ_section_title
Poly[bis(3,5-dinitrobenzoato-<i>O</i>^1^:<i>O</i>^2^)disilver(I)-<i>O</i>^2^:<i>Ag</i>;<i>Ag</i>':<i>O</i>^2'^]
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2678
_journal_page_last               2680
_journal_paper_doi               10.1107/S0108270196009298
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         '[Ag~2~(C~7~H~3~N~2~O~6~)~2~]'
_chemical_formula_sum            'C14 H6 Ag2 N4 O12'
_chemical_formula_weight         637.96
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.00
_cell_angle_beta                 94.336(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.428(2)
_cell_length_b                   9.747(3)
_cell_length_c                   16.115(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    295
_cell_measurement_theta_max      18.24
_cell_measurement_theta_min      6.95
_cell_volume                     850.2(4)
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'MolEN version of ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM MolEN'
_computing_structure_solution    'SIMPEL MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            2020
_diffrn_reflns_theta_max         26.32
_diffrn_reflns_theta_min         2.28
_diffrn_standards_decay_%        -0.28
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.36
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_type   'empirical via \y scans (MolEN; Fair, 1990)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.492
_exptl_crystal_density_meas      ?
_exptl_crystal_description       Lath
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.70
_refine_diff_density_min         -0.67
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.0
_refine_ls_number_parameters     145
_refine_ls_number_reflns         888
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.00007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [1/\s^2^(F)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.040
_reflns_number_observed          888
_reflns_number_total             1632
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bm1093.cif
_cod_data_source_block           AG2NO2
_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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = [1/\s^2^(F)]' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = [1/\s^2^(F)]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        850.2(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2005592