(2-Formyl-6-methoxyphenolato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(perchlorato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
Dong, Feng-Ying; Sun, Yun-Ming; Li, Yan-Tuan; Wu, Zhi-Yong; Acta Crystallographica Section E 64 (2008) m678–; doi:10.1107/S1600536808009975

data_2218089
_publ_section_title
(2-Formyl-6-methoxyphenolato-\k^2^<i>O</i>^1^,<i>O</i>^2^)(perchlorato-\k<i>O</i>)(1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')copper(II)
_journal_coeditor_code           CV2393
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m678
_journal_paper_doi               10.1107/S1600536808009975
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C8 H7 O3) (Cl O4) (C12 H8 N2)]'
_chemical_formula_moiety         'C20 H15 Cl Cu N2 O7'
_chemical_formula_sum            'C20 H15 Cl Cu N2 O7'
_chemical_formula_weight         494.33
_chemical_name_systematic
;
(2-Formyl-6-methoxyphenolato-\k^2^O^1^,O^2^)(perchlorato-\kO)(1,10-
phenanthroline-\k^2^N,N')copper(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 96.733(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.332(2)
_cell_length_b                   9.3986(9)
_cell_length_c                   18.339(2)
_cell_measurement_reflns_used    3881
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.271
_cell_measurement_theta_min      2.237
_cell_volume                     3822.6(7)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0263
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9561
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.84
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.332
_exptl_absorpt_correction_T_max  0.8459
_exptl_absorpt_correction_T_min  0.7234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.517
_refine_diff_density_min         -0.527
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         3374
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0528
_refine_ls_R_factor_gt           0.0404
_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^)+(0.0555P)^2^+9.3448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                2731
_reflns_number_total             3374
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv2393.cif
_cod_data_source_block           I
_cod_original_cell_volume        3822.7(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2218089
_cod_database_fobs_code          2218089