Di-μ-chlorido-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)nickel(II)]
Glazier, Brian M.; Golen, James A.; Manke, David R.; IUCrData 1 (2016) x160259–; doi:10.1107/S2414314616002595

data_1542531
_publ_section_title
;
 Di-\m-chlorido-bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)nickel(II)]
;
_journal_coeditor_code           LH5805
_journal_issue                   2
_journal_name_full               IUCrData
_journal_page_first              x160259
_journal_paper_doi               10.1107/S2414314616002595
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Ni2 Cl4 (C10 H8 N2)2 (C3 H7 N O)2]'
_chemical_formula_moiety         'C26 H30 Cl4 N6 Ni2 O2'
_chemical_formula_sum            'C26 H30 Cl4 N6 Ni2 O2'
_chemical_formula_weight         717.78
_chemical_name_systematic
Di-\m-chlorido-bis[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')chlorido(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)nickel(II)]
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_audit_creation_method
;
Olex2 1.2
(compiled 2015.09.30 svn.r3233 for OlexSys, GUI svn.r5103)
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.9130(9)
_cell_length_b                   11.4450(10)
_cell_length_c                   20.7458(17)
_cell_measurement_reflns_used    5383
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      70.15
_cell_measurement_theta_min      4.26
_cell_volume                     2828.6(4)
_computing_cell_refinement
;
SAINT (Bruker, 2014)
;
_computing_data_collection
;
APEX2 (Bruker, 2014)
;
_computing_data_reduction
;
SAINT (Bruker, 2014)
;
_computing_molecular_graphics
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
;
_computing_publication_material
;
<i>OLEX2</i> (Dolomanov <i>et al.</i>,  2009)
and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      120.01
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker D8 Venture CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'HELIOS MX'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0525
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            12752
_diffrn_reflns_theta_full        68.000
_diffrn_reflns_theta_max         70.213
_diffrn_reflns_theta_min         4.262
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.442
_exptl_absorpt_correction_T_max  0.3841
_exptl_absorpt_correction_T_min  0.2395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2014)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1472
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.260
_refine_diff_density_min         -0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         2670
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0466
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0299P)^2^+1.4865P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0677
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                2139
_reflns_number_total             2670
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5805sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     '-P 2ab 2ac'
_cod_database_code               1542531
_shelx_estimated_absorpt_t_min   0.496
_shelx_estimated_absorpt_t_max   0.899
_shelx_hkl_checksum              5873
_shelx_res_checksum              95329
_shelxl_version_number           2014/6
_cod_database_fobs_code 1542531