Synthesis, structure, magnetic properties and EPR spectroscopy of a copper(II) coordination polymer with a ditopic hydrazone ligand and acetate bridges.
Bikas, Rahman; Aleshkevych, Pavlo; Hosseini-Monfared, Hassan; Sanchiz, Joaquín; Szymczak, Ritta; Lis, Tadeusz; Dalton transactions (Cambridge, England : 2003) 44 (2015) 1782–1789; doi:10.1039/c4dt03060e

data_7033224
_publ_section_title
;
 Synthesis, structure, magnetic properties and EPR spectroscopy of a
 copper(II) coordination polymer with a ditopic hydrazone ligand and
 acetate bridges.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1782
_journal_page_last               1789
_journal_paper_doi               10.1039/c4dt03060e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C24 H22 Cu2 N4 O7'
_chemical_formula_sum            'C24 H22 Cu2 N4 O7'
_chemical_formula_weight         605.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-04-04 deposited with the CCDC.
2014-11-24 downloaded from the CCDC.
;
_cell_angle_alpha                85.46(2)
_cell_angle_beta                 78.36(2)
_cell_angle_gamma                74.18(2)
_cell_formula_units_Z            2
_cell_length_a                   8.5706(17)
_cell_length_b                   9.7965(19)
_cell_length_c                   15.534(4)
_cell_measurement_reflns_used    17704
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      37
_cell_measurement_theta_min      2
_cell_volume                     1228.7(5)
_computing_cell_refinement       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.859
_diffrn_measurement_device_type  'Kuma Km4 with CCD detector'
_diffrn_measurement_method       '\w scans'
_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  0.0202
_diffrn_reflns_av_sigmaI/netI    0.0220
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            23437
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         36.89
_diffrn_reflns_theta_min         2.85
_exptl_absorpt_coefficient_mu    1.783
_exptl_absorpt_correction_T_max  0.694
_exptl_absorpt_correction_T_min  0.561
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.637
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.25
_refine_diff_density_max         1.03
_refine_diff_density_min         -0.42
_refine_diff_density_rms         0.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.138
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         10658
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0349
_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^)+(0.0690P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1048
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                8882
_reflns_number_total             10658
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03060e2.cif
_cod_data_source_block           kubicmoa
_cod_depositor_comments          'Adding full bibliography for 7033224.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7033224