(Benzoato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) chloride benzoic acid disolvate
Huang, Wen-Xiang; Liu, Bin-Bin; Lin, Jian-Li; Acta Crystallographica Section E 66 (2010) m488–m489; doi:10.1107/S1600536810011487

data_2226030
_publ_section_title
;
 (Benzoato-\k<i>O</i>)bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
 chloride benzoic acid disolvate
;
_journal_coeditor_code           ZQ2032
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m488
_journal_page_last               m489
_journal_paper_doi               10.1107/S1600536810011487
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C7 H5 O2) (C12 H8 N2)2] Cl, 2C7 H6 O2'
_chemical_formula_moiety         'C31 H21 Cu N4 O2 +, Cl -, 2(C7 H6 O2)'
_chemical_formula_sum            'C45 H33 Cl Cu N4 O6'
_chemical_formula_weight         824.74
_chemical_name_systematic
;
(Benzoato-\k<i>O</i>)bis(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
chloride benzoic acid disolvate
;
_space_group_IT_number           15
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_cell_angle_gamma                90.00
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_cell_length_b                   19.288(4)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      3.24
_cell_volume                     3922.1(17)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
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_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scans'
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_exptl_crystal_colour            blue
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0393P)^2^+3.5087P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_original_cell_volume        3922.1(14)
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