Di-μ-hydroxo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)] dichloride from X-ray powder data
Dmitry V. Albov; Dmitry V. Davydov; Vladimir V. Chernyshev; Acta Crystallographica Section E 60 (2004) m1193–m1195; doi:10.1107/S1600536804018264

data_2204110
_publ_section_title
;Di-\m-hydroxo-bis[(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)copper(II)]
 dichloride from X-ray powder data
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1193
_journal_page_last               m1195
_journal_paper_doi               10.1107/S1600536804018264
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu2 (O H)2 (C6 H16 N2)2] Cl2'
_chemical_formula_moiety         'C12 H34 Cu2 N4 O2 2+, 2Cl 1-'
_chemical_formula_sum            'C12 H34 Cl2 Cu2 N4 O2'
_chemical_formula_weight         464.43
_chemical_name_systematic
;
Di-\m-hydroxo-[(N,N,N',N'-tetramethylethylenediamine)copper(II)] dichloride
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_audit_creation_method           Manual
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.612(9)
_cell_length_b                   18.311(9)
_cell_length_c                   12.598(7)
_cell_measurement_temperature    295(2)
_cell_volume                     3832(4)
_computing_cell_refinement       'MRIA (Zlokazov & Chernyshev, 1992)'
_computing_data_collection
;
HUBER G670 (Huber, 1998)
;
_computing_molecular_graphics    'PLUTON (Spek, 1996)'
_computing_publication_material
;
MRIA, SHELXL,
PARST (Nardelli, 1995)
;
_computing_structure_refinement  MRIA
_computing_structure_solution
;
MRIA, SHELXS-97 and SHELXL-97 (Sheldrick, 1997)
;
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device_type  'Huber Guinier camera G670'
_diffrn_radiation_monochromator  'Ge focussing'
_diffrn_radiation_type           'Cu K\a~1~'
_diffrn_radiation_wavelength     1.54060
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_exptl_absorpt_coefficient_mu    5.40
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936
_refine_diff_density_max         0.3
_refine_diff_density_min         -0.3
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   3.702
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           fullcycle
_refine_ls_number_constraints    0
_refine_ls_number_parameters     72
_refine_ls_number_restraints     7
_refine_ls_shift/su_max          .02
_refine_ls_shift/su_mean         .01
_refine_ls_structure_factor_coef Inet
_refine_ls_weighting_scheme      sigma
_reflns_number_total             503
_cod_data_source_file            ya6211.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               2204110