Bis{μ-<i>N</i>'-[1-(5-bromo-2-oxidophenyl)ethylidene]benzenesulfonohydrazidato}-κ^3^<i>O</i>^2^,<i>N</i>':<i>N</i>;κ^3^<i>N</i>:<i>O</i>^2^,<i>N</i>'-bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)]
Ali, Hapipah M.; Laila, Musalem; Rizal, Razali M.; Ng, Seik Weng; Acta Crystallographica Section E 64 (2008) m414–m414; doi:10.1107/S1600536808002201

data_2217582
_publ_section_title
;Bis{\m-<i>N</i>'-[1-(5-bromo-2-oxidophenyl)ethylidene]benzenesulfonohydrazidato}-\k^3^<i>O</i>^2^,<i>N</i>':<i>N</i>;\k^3^<i>N</i>:<i>O</i>^2^,<i>N</i>'-bis[(dimethyl
 sulfoxide-\k<i>O</i>)copper(II)]
;
_journal_coeditor_code           LH2588
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m414
_journal_page_last               m414
_journal_paper_doi               10.1107/S1600536808002201
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (C15 H11 Br N2 O3 S)2 (C2 H6 O S)2]'
_chemical_formula_moiety         'C32 H34 Br2 Cu2 N4 O8 S4'
_chemical_formula_sum            'C32 H34 Br2 Cu2 N4 O8 S4'
_chemical_formula_weight         1017.77
_chemical_name_systematic
;
Bis{\m-<i>N</i>'-[1-(5-bromo-2-
oxidophenyl)ethylidene]benzenesulfonohydrazidato}-
\k^3^O^2^,N':N;\k^3^N:N',O^2^-bis[(dimethyl sulfoxide-\kO)copper(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                68.1570(10)
_cell_angle_beta                 74.9280(10)
_cell_angle_gamma                70.6910(10)
_cell_formula_units_Z            1
_cell_length_a                   8.08310(10)
_cell_length_b                   10.4972(2)
_cell_length_c                   12.9481(2)
_cell_measurement_reflns_used    7546
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      31.0
_cell_measurement_theta_min      2.7
_cell_volume                     950.56(3)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  Graphite
_diffrn_radiation_source         'medium-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0269
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12330
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.494
_exptl_absorpt_correction_T_max  0.5416
_exptl_absorpt_correction_T_min  0.3354
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.778
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             510
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.747
_refine_diff_density_min         -0.890
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.206
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     238
_refine_ls_number_reflns         4318
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.206
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0389
_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^)+(0.0827P)^2^+1.8365P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1298
_refine_ls_wR_factor_ref         0.1509
_reflns_number_gt                3788
_reflns_number_total             4318
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh2588.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2217582
_cod_database_fobs_code          2217582