Di-μ-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine-κ^2^<i>N</i>,<i>N</i>')zinc(II)]
Yu, Ming-Ming; Shi, Qiu-Zhi; Zhang, Yu-Na; Li, Zhan-Xian; Acta Crystallographica Section E 65 (2009) m744–m745; doi:10.1107/S1600536809019473

data_2222514
_publ_section_title
Di-\m-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine-\k^2^<i>N</i>,<i>N</i>')zinc(II)]
_journal_coeditor_code           ZL2193
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m744
_journal_page_last               m745
_journal_paper_doi               10.1107/S1600536809019473
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn2 Cl4 (C4 H12 N2)2]'
_chemical_formula_moiety         'C8 H24 Cl4 N4 Zn2'
_chemical_formula_sum            'C8 H24 Cl4 N4 Zn2'
_chemical_formula_weight         448.85
_chemical_name_systematic
;
Di-\m-chlorido-bis[chlorido(<i>N</i>,<i>N</i>-dimethylethylenediamine-
\k^2^<i>N</i>,<i>N</i>')zinc(II)]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.808(2)
_cell_length_b                   8.5109(17)
_cell_length_c                   20.851(4)
_cell_measurement_reflns_used    1620
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.95
_cell_volume                     1740.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1K CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0422
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            7050
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.359
_exptl_absorpt_correction_T_max  0.7988
_exptl_absorpt_correction_T_min  0.6327
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.713
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.138
_refine_diff_density_min         -0.415
_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     82
_refine_ls_number_reflns         1620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0485
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0632P)^2^+2.354P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1324
_reflns_number_gt                1300
_reflns_number_total             1620
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2193.cif
_cod_data_source_block           I
_cod_database_code               2222514
_cod_database_fobs_code          2222514