Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) nitrate
Hossaini Sadr, Moayad; Soltani, Behzad; Engle, James T.; Ziegler, Christopher J.; Kabirzadeh, M.; Acta Crystallographica Section E 67 (2011) m762–m763; doi:10.1107/S1600536811017776

data_2230389
_publ_section_title
;
 Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-\k<i>N</i>^2^)silver(I)
 nitrate
;
_journal_coeditor_code           JH2288
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m762
_journal_page_last               m763
_journal_paper_doi               10.1107/S1600536811017776
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C16 H14 N2)2] N O3'
_chemical_formula_moiety         'C32 H28 Ag N4 +, N O3 -'
_chemical_formula_sum            'C32 H28 Ag N5 O3'
_chemical_formula_weight         638.46
_chemical_name_systematic
;
Bis(4-methyl-3,5-diphenyl-1<i>H</i>-pyrazole-\k<i>N</i>^2^)silver(I) nitrate
;
_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                80.454(2)
_cell_angle_beta                 68.806(2)
_cell_angle_gamma                82.398(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5529(12)
_cell_length_b                   10.8791(13)
_cell_length_c                   12.8396(15)
_cell_measurement_reflns_used    5736
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.19
_cell_measurement_theta_min      2.39
_cell_volume                     1351.1(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0362
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            8897
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.791
_exptl_absorpt_correction_T_max  0.9395
_exptl_absorpt_correction_T_min  0.7174
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.506
_refine_diff_density_min         -0.585
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     372
_refine_ls_number_reflns         4588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.153
_refine_ls_R_factor_all          0.0325
_refine_ls_R_factor_gt           0.0289
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0396P)^2^+1.0248P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0756
_refine_ls_wR_factor_ref         0.0839
_reflns_number_gt                4127
_reflns_number_total             4588
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2288.cif
_cod_data_source_block           I
_cod_database_code               2230389
_cod_database_fobs_code          2230389