<i>trans</i>-Dibromobis(<i>N</i>,<i>N</i>'-dimethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')nickel(II)
W. G. Piyal Ariyananda; Richard E. Norman; Acta Crystallographica Section E 62 (2006) m2336–m2338; doi:10.1107/S1600536806033769

data_2210130
_publ_section_title
<i>trans</i>-Dibromobis(<i>N</i>,<i>N</i>'-dimethylethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')nickel(II)
_journal_coeditor_code           BV2025
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2336
_journal_page_last               m2338
_journal_paper_doi               10.1107/S1600536806033769
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ni Br2 (C4 H12 N2)2]'
_chemical_formula_moiety         'C8 H24 Br2 N4 Ni'
_chemical_formula_sum            'C8 H24 Br2 N4 Ni'
_chemical_formula_weight         394.81
_chemical_name_systematic
;
trans-Dibromobis(N,N'-dimethylethane-1,2-diamine-\k^2^N,N')nickel(II)
;
_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'
_cell_angle_alpha                90
_cell_angle_beta                 101.206(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8731(5)
_cell_length_b                   8.6501(4)
_cell_length_c                   10.6902(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      46.8
_cell_measurement_theta_min      23.5
_cell_volume                     714.16(7)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'maXus (Mackay et al., 1999)'
_computing_publication_material  'TEXSAN for Windows'
_computing_structure_refinement
'TEXSAN for Window (Molecular Structure Corporation, 1999)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.9707
_diffrn_measured_fraction_theta_max 0.9707
_diffrn_measurement_device       'Enraf--Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.0698
_diffrn_reflns_av_sigmaI/netI    0.047
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4858
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        75.12
_diffrn_reflns_theta_max         75.12
_diffrn_reflns_theta_min         5.7
_diffrn_standards_decay_%        1.5
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    8.345
_exptl_absorpt_correction_T_max  0.434
_exptl_absorpt_correction_T_min  0.269
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al, 1968)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.836
_exptl_crystal_density_meas      ?
_exptl_crystal_description       fragment
_exptl_crystal_F_000             396.00
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.884
_refine_diff_density_min         -1.024
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.025
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    5
_refine_ls_number_parameters     71
_refine_ls_number_reflns         1277
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0722
_refine_ls_shift/su_max          0.00075
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.0036|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.1560
_refine_ls_wR_factor_ref         0.1471
_reflns_number_gt                1277
_reflns_number_total             1427
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            bv2025.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2210130
_cod_database_fobs_code          2210130