(N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II) tetrachloromercurate(II)
Draper, Neil D.; Batchelor, Raymond J.; Sih, Bryan C.; Ye, Zuo-Guang; Leznoff, Daniel; Chemistry of Materials  (2003) –; doi:10.1021/cm021716r

data_4000261
_publ_section_title
;
(N,N,N',N'-tetramethylethylenediamine)bis-(dicyanomercury)copper(II)
tetrachloromercurate(II)
;
_journal_name_full               'Chemistry of Materials'
_journal_paper_doi               10.1021/cm021716r
_journal_year                    2003
_chemical_formula_moiety         'Hg3 Cu Cl4 N6 C10 H16 '
_chemical_formula_sum            'C10 H16 Cl4 Cu Hg3 N6'
_chemical_formula_weight         1027.39
_space_group_IT_number           113
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            2
_cell_length_a                   10.9576(12)
_cell_length_b                   10.9576(12)
_cell_length_c                   9.8516(13)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    293
_cell_measurement_theta_max      24.50
_cell_measurement_theta_min      20.00
_cell_volume                     1182.87(20)
_diffrn_ambient_temperature      293
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Theta/2theta scan b/P/b '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_av_sigmaI/netI    ?
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4008
_diffrn_reflns_reduction_process ?
_diffrn_reflns_theta_max         25.98
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        3.0
_diffrn_standards_interval_count 300
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    20.76
_exptl_absorpt_correction_T_max  0.1430
_exptl_absorpt_correction_T_min  0.0399
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.885
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       ?
_exptl_crystal_F_000             896.53
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_exptl_crystal_size_rad          ?
_refine_diff_density_max         1.0(2)
_refine_diff_density_min         -1.2(2)
_refine_ls_abs_structure_details 'Flack, 466 Friedel-pairs'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_coef       38.4(16)
_refine_ls_extinction_method
;
      'Larson 1970 Crystallographic Computing eq 22'
;
_refine_ls_goodness_of_fit_obs   1.07
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     65
_refine_ls_number_reflns         1081
_refine_ls_number_restraints     5
_refine_ls_R_factor_obs          0.022
_refine_ls_shift/esd_max         0.001
_refine_ls_shift/esd_mean        ?
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     1/(\s^2^(F)+0.0002F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.024
_reflns_number_observed          1081
_reflns_number_total             1266
_reflns_observed_criterion       'Inet > 2.5\s(Inet)'
_cod_original_formula_sum        'Hg3 Cu Cl4 N6 C10 H16 '
_cod_database_code               4000261