Bis(3,5-dimethyl-1<i>H</i>-pyrazole-κ<i>N</i>^2^)silver(I) hexafluoridoantimonate
Crawford, Devyn; Hofer, Anthony K.; Edler, Kate L.; Ferrence, Gregory M.; Acta Crystallographica Section E 67 (2011) m496–; doi:10.1107/S1600536811010567

data_2229641
_publ_section_title
;
 Bis(3,5-dimethyl-1<i>H</i>-pyrazole-\k<i>N</i>^2^)silver(I)
 hexafluoridoantimonate
;
_journal_coeditor_code           FJ2400
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m496
_journal_paper_doi               10.1107/S1600536811010567
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C5 H8 N2)2] Sb F6'
_chemical_formula_moiety         'C10 H16 Ag1 N4 +, F6 Sb1 -'
_chemical_formula_sum            'C10 H16 Ag F6 N4 Sb'
_chemical_formula_weight         535.89
_chemical_name_systematic
;
Bis(3,5-dimethyl-1<i>H</i>-pyrazole-\k<i>N</i>^2^)silver(I)
hexafluoridoantimonate
;
_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'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.560(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0242(7)
_cell_length_b                   10.9849(11)
_cell_length_c                   21.391(2)
_cell_measurement_reflns_used    18535
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.1655
_cell_measurement_theta_min      2.6585
_cell_volume                     1649.9(3)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
;
<i>WinGX</i> (Farrugia, 1999), <i>publCIF</i> (Westrip, 2010)
and
<i>Mercury</i> (Macrae <i>et al.</i>, 2006)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.867
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0389
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            16455
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         31.62
_diffrn_reflns_theta_min         1.9
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.883
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(TWINABS; Bruker, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.328
_refine_diff_density_min         -1.474
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.196
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         4913
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.196
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0685P)^2^+9.0304P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1379
_reflns_number_gt                4686
_reflns_number_total             4913
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fj2400.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2229641
_cod_database_fobs_code          2229641