Crystal structure of bis{μ-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-κ^2^<i>N</i>^2^,<i>O</i>}copper(II))
Chetioui, Souheyla; Hamdouni, Noudjoud; Bochet, Christian G.; Djukic, Jean-Pierre; Bailly, Corinne; Acta Crystallographica Section E 71 (2015) m211–m212; doi:10.1107/S2056989015020824

data_2241294
_publ_section_title
;
 Crystal structure of
 bis{\m-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-\k^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-\k^2^<i>N</i>^2^,<i>O</i>}copper(II))
;
_journal_coeditor_code           IS5425
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m211
_journal_page_last               m212
_journal_paper_doi               10.1107/S2056989015020824
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Cu2 (C17 H13 N2 O2)4]'
_chemical_formula_moiety         'C68 H52 Cu2 N8 O8'
_chemical_formula_sum            'C68 H52 Cu2 N8 O8'
_chemical_formula_weight         1236.26
_chemical_name_systematic
Bis{\m-1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-\k^3^<i>N</i>^2^,<i>O</i>:<i>O</i>}bis({1-[(<i>E</i>)-(3-methoxyphenyl)diazenyl]naphthalen-2-olato-\k^2^<i>N</i>^2^,<i>O</i>}copper(II))
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 104.268(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.260(5)
_cell_length_b                   7.707(5)
_cell_length_c                   22.325(5)
_cell_measurement_reflns_used    2052
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.64
_cell_measurement_theta_min      3.12
_cell_volume                     2711(2)
_computing_cell_refinement
;
SAINT (Bruker, 2006)
;
_computing_data_collection
;
APEX2 (Bruker, 2006)
;
_computing_data_reduction
;
SAINT (Bruker, 2006)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
WinGX (Farrugia, 2012)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SIR92 (Altomare <i>et al.</i>, 1993)
;
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  triumph
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0405
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            25289
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.98
_diffrn_reflns_theta_min         1.776
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.855
_exptl_absorpt_correction_T_max  0.966
_exptl_absorpt_correction_T_min  0.855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2006)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1276
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.463
_refine_diff_density_min         -0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     388
_refine_ls_number_reflns         6516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.018
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0392P)^2^+1.8473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0816
_refine_ls_wR_factor_ref         0.0906
_reflns_number_gt                4941
_reflns_number_total             6516
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            is5425sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2241294
_cod_database_fobs_code          2241294