Structures of <i>catena</i>-poly[(nitrato-<i>O</i>,<i>O</i>')silver(I)-μ-(di-2-pyridyl ketone-<i>N</i>:<i>N</i>')] and di-2-pyridyl ketone
Sommerer, S.O.; Westcott, B.L.; Abboud, K.A.; Acta Crystallographica Section C 50 (1994) 48–52; doi:10.1107/S0108270193006444

data_2009422
_publ_section_title
;
 Structures of
 <i>catena</i>-poly[(nitrato-<i>O</i>,<i>O</i>')silver(I)-\m-(di-2-pyridyl
 ketone-<i>N</i>:<i>N</i>')] and di-2-pyridyl ketone
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              48
_journal_page_last               52
_journal_paper_doi               10.1107/S0108270193006444
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C11 H8 Ag1 N3 O4'
_chemical_formula_sum            'C11 H8 Ag N3 O4'
_chemical_formula_weight         354.1
_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.
_cell_angle_beta                 110.800(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.6870(10)
_cell_length_b                   20.976(3)
_cell_length_c                   7.0350(10)
_cell_measurement_reflns_used    50
_cell_measurement_temperature    298
_cell_measurement_theta_max      11
_cell_measurement_theta_min      10
_cell_volume                     1198.4(3)
_computing_cell_refinement       SHELXTL-Plus
_computing_data_collection       'SHELXTL-Plus (Sheldrick, 1991)'
_computing_data_reduction        SHELXTL-Plus
_computing_molecular_graphics    SHELXTL-Plus
_computing_structure_refinement  NRCVAX
_computing_structure_solution
' NRCVAX (Gabe, Le Page, Charland, Lee & White, 1989)'
_diffrn_measurement_device       'Seimens P3m/V'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0153
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4807
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_count 96
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    1.76
_exptl_absorpt_correction_T_max  0.704
_exptl_absorpt_correction_T_min  0.551
_exptl_absorpt_correction_type   analytical
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_meas      1.98
_exptl_crystal_density_method    flotation??
_exptl_crystal_description       Blocks
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.65
_refine_ls_goodness_of_fit_obs   1.77
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     196
_refine_ls_number_reflns         1819
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.1
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F~obs~)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.032
_reflns_number_observed          1819
_reflns_number_total             2133
_reflns_observed_criterion       I~net~>2.5\s(I~net~)
_cod_data_source_file            st1055.cif
_cod_data_source_block           st1055_structure_1_of_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F~obs~)' 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~obs~)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C11 H8 Ag1 N3 O4'
_cod_database_code               2009422