A binuclear silver complex of a tetrapyrazolyl ligand
Clegg, William; Cooper, Paul J.; Lockhart, Joyce C.; Rushton, David J.; Acta Crystallographica Section C 50 (1994) 383–386; doi:10.1107/S0108270193009400

data_2009514
_publ_section_title
;
 A binuclear silver complex of a tetrapyrazolyl ligand
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              383
_journal_page_last               386
_journal_paper_doi               10.1107/S0108270193009400
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C18 H24 Ag2 N12 O6'
_chemical_formula_weight         720.23
_chemical_name_systematic
; (N,N,N',N'-tetrakis(pyrazol-1ylmethyl)-1,2-diaminoethane)-disilver(I)
dinitrate
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           SHELXL
_cell_angle_alpha                98.774(14)
_cell_angle_beta                 93.82(2)
_cell_angle_gamma                97.97(2)
_cell_formula_units_Z            2
_cell_length_a                   9.507(2)
_cell_length_b                   9.865(2)
_cell_length_c                   13.262(3)
_cell_measurement_reflns_used    32
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      11.46
_cell_measurement_theta_min      10.11
_cell_volume                     1212.5(5)
_computing_cell_refinement       DIF4
_computing_data_collection       'DIF4 (Stoe & Cie, 1988)'
_computing_data_reduction        'local programs'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  'SHELXL-93 and local programs'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, in preparation'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       'Stoe-Siemens diffractometer'
_diffrn_measurement_method
'\w/\q scans with on-line profile fitting (Clegg, 1981)'
_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  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0531
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5747
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.56
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.678
_exptl_absorpt_correction_T_max  0.645
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_description       block
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         .633
_refine_diff_density_min         -.461
_refine_ls_extinction_coef       0.0048(5)
_refine_ls_extinction_method     'SHELXL (Sheldrick, 1992)'
_refine_ls_goodness_of_fit_all   1.072
_refine_ls_goodness_of_fit_obs   1.058
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     344
_refine_ls_number_reflns         4272
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.134
_refine_ls_restrained_S_obs      1.058
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_obs          0.0399
_refine_ls_shift/esd_max         0.000
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;calc w = 1/[\s^2^(Fo^2^) + (0.0176P)^2^ + 2.0375P],
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.1138
_refine_ls_wR_factor_obs         0.0945
_reflns_number_observed          3456
_reflns_number_total             4286
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            al1072.cif
_cod_data_source_block           jcl19
_cod_original_cell_volume        1212.5(4)
_cod_database_code               2009514