Crystal structure of aqua-(perchlorato)bis-[μ-(<i>E</i>)-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato-κ<sup>4</sup><i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II) perchlorate.
Okeke, Ugochukwu; Gultneh, Yilma; Butcher, Ray J.; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1708–1711; doi:10.1107/S2056989017014694

data_2311480
_publ_section_title
;
 Crystal structure of
 aqua-(perchlorato)bis-[\m-(<i>E</i>)-2-({[2-(pyridin-2-yl)eth-yl]imino}-meth-yl)phenolato-\k<sup>4</sup><i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II)
 perchlorate.
;
_journal_coeditor_code           HG5497
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1708
_journal_page_last               1711
_journal_paper_doi               10.1107/S2056989017014694
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu2 (Cl O4) (C14 H13 N2 O)2 (H2 O)] Cl O4'
_chemical_formula_moiety         'C28 H28 Cl Cu2 N4 O7 +, Cl O4 -'
_chemical_formula_sum            'C28 H28 Cl2 Cu2 N4 O11'
_chemical_formula_weight         794.52
_chemical_name_systematic
'Aqua(perchlorato)bis[\m-(<i>E</i>)-2-({[2-(pyridin-2-yl)ethyl]imino}methyl)phenolato-\k^4^<i>N</i>,<i>N</i>',<i>O</i>:<i>O</i>]dicopper(II) perchlorate'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 98.180(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4829(4)
_cell_length_b                   16.8867(8)
_cell_length_c                   24.2649(13)
_cell_measurement_reflns_used    4638
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.869
_cell_measurement_theta_min      2.412
_cell_volume                     3035.0(3)
_computing_cell_refinement
;
APEX3 (Bruker, 2015)
;
_computing_data_collection
;
APEX3 (Bruker, 2015)
;
_computing_data_reduction
;
SAINT (Bruker, 2015)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXTL (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL2016 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            21194
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         27.164
_diffrn_reflns_theta_min         1.474
_exptl_absorpt_coefficient_mu    1.646
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6164
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 1996)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.739
_exptl_crystal_description       plate
_exptl_crystal_F_000             1616
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.632
_refine_diff_density_min         -0.524
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     470
_refine_ls_number_reflns         6730
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0524
_refine_ls_R_factor_gt           0.0361
_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^)+(0.0319P)^2^+1.7524P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0773
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                5328
_reflns_number_total             6730
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            hg5497sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2311480
_shelx_hkl_checksum              7300
_shelx_res_checksum              9473