[2,2'-(1,1'-Binaphthyl-2,2'-diyldiimino)diethanol-κ^3^<i>N</i>,<i>N</i>',<i>O</i>]dichloridocopper(II)
Huang, Wan-Yun; Liu, Dong-Cheng; Wei, Han-Chang; Liang, Fu-Pei; Acta Crystallographica Section E 67 (2011) m1844–; doi:10.1107/S1600536811049828

data_2233025
_publ_section_title
;
 [2,2'-(1,1'-Binaphthyl-2,2'-diyldiimino)diethanol-\k^3^<i>N</i>,<i>N</i>',<i>O</i>]dichloridocopper(II)
;
_journal_coeditor_code           XU5393
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1844
_journal_paper_doi               10.1107/S1600536811049828
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu Cl2 (C24 H24 N2 O2)]'
_chemical_formula_moiety         'C24 H24 Cl2 Cu N2 O2'
_chemical_formula_sum            'C24 H24 Cl2 Cu N2 O2'
_chemical_formula_weight         506.89
_chemical_name_systematic
;
[2,2'-(1,1'-Binaphthyl-2,2'-diyldiimino)diethanol-
\k^3^<i>N</i>,<i>N</i>',<i>O</i>]dichloridocopper(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.130(2)
_cell_angle_beta                 103.633(2)
_cell_angle_gamma                106.912(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4816(8)
_cell_length_b                   10.4211(11)
_cell_length_c                   15.2116(16)
_cell_measurement_reflns_used    3367
_cell_measurement_temperature    185(2)
_cell_measurement_theta_max      25.97
_cell_measurement_theta_min      2.66
_cell_volume                     1090.1(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_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      185(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0115
_diffrn_reflns_av_sigmaI/netI    0.0229
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5452
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.07
_exptl_absorpt_coefficient_mu    1.272
_exptl_absorpt_correction_T_max  0.8834
_exptl_absorpt_correction_T_min  0.6939
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.544
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             522
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.532
_refine_diff_density_min         -0.401
_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     280
_refine_ls_number_reflns         3758
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.7465P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1035
_refine_ls_wR_factor_ref         0.1073
_reflns_number_gt                3363
_reflns_number_total             3758
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5393.cif
_cod_data_source_block           I
_cod_database_code               2233025
_cod_database_fobs_code          2233025