Crystal structure of bis(μ<sub>2</sub>-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II) dimethylformamide disolvate.
Rusanova, Julia A.; Bederak, Dmytro; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1797–1800; doi:10.1107/S2056989017015584

data_2311507
_publ_section_title
;
 Crystal structure of
 bis(\m<sub>2</sub>-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II)
 dimethylformamide disolvate.
;
_journal_coeditor_code           LH5856
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1797
_journal_page_last               1800
_journal_paper_doi               10.1107/S2056989017015584
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu2 (C18 H16 Br2 N2 O4 S2)2], 2C3 H7 N O'
_chemical_formula_moiety         'C36 H32 Br4 Cu2 N4 O8 S4, 2(C3 H7 N O)'
_chemical_formula_sum            'C42 H46 Br4 Cu2 N6 O10 S4'
_chemical_formula_weight         1369.81
_chemical_name_systematic
;Bis(\m~2~-4-bromo-2-[({2-[({2-[(5-bromo-2-oxidobenzylidene)amino]ethyl}sulfanyl)sulfonyl]ethyl}imino)methyl]phenolato)dicopper(II)
dimethylformamide disolvate
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/4
_cell_angle_alpha                95.620(2)
_cell_angle_beta                 116.098(2)
_cell_angle_gamma                114.545(2)
_cell_formula_units_Z            1
_cell_length_a                   10.9140(4)
_cell_length_b                   12.1104(5)
_cell_length_c                   12.2394(5)
_cell_measurement_reflns_used    1470
_cell_measurement_temperature    173.0(10)
_cell_measurement_theta_max      20.57
_cell_measurement_theta_min      2.26
_cell_volume                     1241.05(10)
_computing_cell_refinement
;
SAINT (Bruker, 2008)
;
_computing_data_collection
;
SMART (Bruker, 2008)
;
_computing_data_reduction
;
SAINT (Bruker, 2008)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
<i>SHELXL2016/4</i> (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      173.0(10)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0938
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.477
_diffrn_reflns_theta_min         1.969
_exptl_absorpt_coefficient_mu    4.306
_exptl_absorpt_correction_T_max  0.85
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_description       plate
_exptl_crystal_F_000             682
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.679
_refine_diff_density_min         -0.769
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         6224
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.971
_refine_ls_R_factor_all          0.1343
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0320P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1349
_reflns_number_gt                3363
_reflns_number_total             6224
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            lh5856sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1241.05(9)
_cod_database_code               2311507
_shelx_estimated_absorpt_t_min   0.412
_shelx_estimated_absorpt_t_max   0.847
_shelx_hkl_checksum              11998
_shelx_res_checksum              98378