Bis(cyanido-κ<i>C</i>)bis(cyclohexylamine-κ<i>N</i>)mercury(II)
Ejaz; Khan, Islam Ullah; Harrison, William T. A.; Acta Crystallographica Section E 66 (2010) m238–; doi:10.1107/S1600536810001042

data_2225133
_publ_section_title
;
 Bis(cyanido-\k<i>C</i>)bis(cyclohexylamine-\k<i>N</i>)mercury(II)
;
_journal_coeditor_code           WM2295
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m238
_journal_paper_doi               10.1107/S1600536810001042
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Hg (C N)2 (C6 H13 N)2]'
_chemical_formula_moiety         'C14 H26 Hg N4'
_chemical_formula_sum            'C14 H26 Hg N4'
_chemical_formula_weight         450.98
_chemical_name_systematic
;
Bis(cyanido-\k<i>C</i>)bis(cyclohexylamine-\k<i>N</i>)mercury(II)
;
_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                93.972(3)
_cell_angle_beta                 99.179(3)
_cell_angle_gamma                97.258(3)
_cell_formula_units_Z            2
_cell_length_a                   7.9283(4)
_cell_length_b                   9.1791(5)
_cell_length_c                   12.2722(6)
_cell_measurement_temperature    293(2)
_cell_volume                     870.95(8)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       \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  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_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            16082
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         2.63
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.831
_exptl_absorpt_correction_T_max  0.351
_exptl_absorpt_correction_T_min  0.171
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             436
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.169
_refine_diff_density_min         -1.984
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         3385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0611
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0858P)^2^+12.3401P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1848
_refine_ls_wR_factor_ref         0.1930
_reflns_number_gt                2830
_reflns_number_total             3385
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2295.cif
_cod_data_source_block           I
_cod_database_code               2225133
_cod_database_fobs_code          2225133