Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear, Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT Studies
Hilde Grove; Timothy L. Kelly; Laurence K. Thompson; Liang Zhao; Zhiqiang Xu; Tareque S. M. Abedin; David O. Miller; Andrés E. Goeta; Claire Wilson; Judith A. K. Howard; Inorganic Chemistry 43 (2004) 4278–4288; doi:10.1021/ic040036i

data_4311238
_publ_section_title
;
 Copper(II) Complexes of a Series of Alkoxy Diazine Ligands: Mononuclear,
 Dinuclear, and Tetranuclear Examples with Structural, Magnetic, and DFT
 Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4278
_journal_page_last               4288
_journal_paper_doi               10.1021/ic040036i
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C23 H22 Br2 Cu2 N7 O5.5 S'
_chemical_formula_weight         803.43
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_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
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_cell_angle_alpha                90
_cell_angle_beta                 106.21(1)
_cell_angle_gamma                90
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_cell_length_a                   12.406(2)
_cell_length_b                   22.157(3)
_cell_length_c                   10.704(2)
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_cell_measurement_temperature    299.2
_cell_measurement_theta_max      14.7
_cell_measurement_theta_min      10.0
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_computing_cell_refinement       'MSC/AFC Diffractometer Control'
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_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            green
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_refine_diff_density_min         -0.76
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_refine_ls_goodness_of_fit_all   1.345
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_refine_ls_shift/su_mean         0.0002
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
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_reflns_threshold_expression     I>2.00\s(I)
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_cod_data_source_block           '_HG188G'
_cod_original_cell_volume        2825.2(8)
_cod_original_sg_symbol_H-M      'P 21/c '
_cod_original_formula_sum        'C23 H22 Br2 Cu2 N7 O5.50 S '
_cod_database_code               4311238