<i>trans</i>-Dichlorobis(<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) m2339–m2341; doi:10.1107/S1600536806033770

data_2210131
_publ_section_title
<i>trans</i>-Dichlorobis(<i>N</i>,<i>N</i>'-dimethylethane-1,2-diamine-\k^2^<i>N</i>,<i>N</i>')nickel(II)
_journal_coeditor_code           BV2026
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2339
_journal_page_last               m2341
_journal_paper_doi               10.1107/S1600536806033770
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Ni Cl2 (C4 H12 N2)2]'
_chemical_formula_moiety         'C8 H24 Cl2 N4 Ni'
_chemical_formula_sum            'C8 H24 Cl2 N4 Ni'
_chemical_formula_weight         305.91
_chemical_name_systematic
;
trans-Dichlorobis(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                 99.9252(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.8639(2)
_cell_length_b                   8.5786(2)
_cell_length_c                   10.0186(3)
_cell_measurement_reflns_used    2953
_cell_measurement_temperature    100
_cell_measurement_theta_max      35.0
_cell_measurement_theta_min      2.5
_cell_volume                     665.75(3)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'SCALEPACK and DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PROGRAM? (Reference?)'
_computing_publication_material  'TEXSAN for Windows'
_computing_structure_refinement
'TEXSAN for Windows (Molecular Structure Corporation, 1999)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1993)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.9986
_diffrn_measured_fraction_theta_max 0.9986
_diffrn_measurement_device
'Nonius KappaCCD (with an Oxford Cryosystem Cryostream coller)'
_diffrn_measurement_method       '\w scans with \k offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0129
_diffrn_reflns_av_sigmaI/netI    0.045
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15248
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        34.96
_diffrn_reflns_theta_max         34.96
_diffrn_reflns_theta_min         3.14
_diffrn_standards_decay_%        <2
_exptl_absorpt_coefficient_mu    1.836
_exptl_absorpt_correction_T_max  0.609
_exptl_absorpt_correction_T_min  0.552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.526
_exptl_crystal_description       fragment
_exptl_crystal_F_000             324.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.556
_refine_ls_extinction_coef       0.0000028(5)
_refine_ls_extinction_expression 'equ(3) Acta Cryst.(1968) A24, p213.'
_refine_ls_extinction_method     'Zachariasen (1967)'
_refine_ls_goodness_of_fit_all   0.99305
_refine_ls_goodness_of_fit_ref   1.0314
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    5
_refine_ls_number_parameters     72
_refine_ls_number_reflns         2440
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0322
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.0009
_refine_ls_shift/su_mean         0.00
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.0009|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0857
_refine_ls_wR_factor_ref         0.0813
_reflns_number_gt                2435
_reflns_number_total             2918
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            bv2026.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2210131
_cod_database_fobs_code          2210131