{μ-2-[(Benzothiazol-2-yl-2κ<i>N</i>)hydrazonomethyl-2κ<i>N</i>]-6-methoxyphenolato-1:2κ^3^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^}{2-[(benzothiazol-2-yl-1κ<i>N</i>)hydrazonomethyl-1κ<i>N</i>]-6-methoxyphenolato-1κ<i>O</i>^1^}(methanol-2κ<i>O</i>)(nitrato-2κ<i>O</i>)dicopper(II) nitrate
Lin, Yu-Ching; Hong, Fung-E; Acta Crystallographica Section E 65 (2009) m1077–; doi:10.1107/S1600536809031705

data_2222984
_publ_section_title
;{\m-2-[(Benzothiazol-2-yl-2\k<i>N</i>)hydrazonomethyl-2\k<i>N</i>]-6-methoxyphenolato-1:2\k^3^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^}{2-[(benzothiazol-2-yl-1\k<i>N</i>)hydrazonomethyl-1\k<i>N</i>]-6-methoxyphenolato-1\k<i>O</i>^1^}(methanol-2\k<i>O</i>)(nitrato-2\k<i>O</i>)dicopper(II)
 nitrate
;
_journal_coeditor_code           BT5014
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1077
_journal_paper_doi               10.1107/S1600536809031705
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu2 (C15 H12 N3 O2 S)2 (N O3) (C H4 O)] N O3'
_chemical_formula_moiety         'C31 H28 Cu2 N7 O8 S2 +, N O3 -'
_chemical_formula_sum            'C31 H28 Cu2 N8 O11 S2'
_chemical_formula_weight         879.81
_chemical_name_systematic
;{\m-2-[(Benzothiazol-2-yl-2\k<i>N</i>)hydrazonomethyl-2\k<i>N</i>]-6-
methoxyphenolato-1:2\k^3^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^1^}{2-[(benzothiazol-
2-yl-1\k<i>N</i>)hydrazonomethyl-1\k<i>N</i>]-6-methoxyphenolato-
1\k<i>O</i>^1^}(methanol-2\k<i>O</i>)(nitrato-2\k<i>O</i>)dicopper(II)
 nitrate
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.869(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.6893(12)
_cell_length_b                   18.9172(18)
_cell_length_c                   16.8910(17)
_cell_measurement_reflns_used    7572
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.048
_cell_measurement_theta_min      2.349
_cell_volume                     3733.1(6)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type
;
KM-4-CCD/Sapphire <b>[PLEASE CHECK; DEVICE COMPATIBLE WITH BRUKER
SOFTWARE?]</b>
;
_diffrn_measurement_method       '\f and \w'
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0293
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16985
_diffrn_reflns_theta_full        26.08
_diffrn_reflns_theta_max         26.08
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    1.319
_exptl_absorpt_correction_T_max  0.7783
_exptl_absorpt_correction_T_min  0.5049
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.731
_refine_diff_density_min         -0.756
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         7175
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0604
_refine_ls_R_factor_gt           0.0437
_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^)+(0.09P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1192
_refine_ls_wR_factor_ref         0.1313
_reflns_number_gt                5506
_reflns_number_total             7175
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5014.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2222984
_cod_database_fobs_code          2222984