A unique copper(ii)-assisted transformation of acetylacetone dioxime in acetone that leads to one-dimensional, quinoxaline-bridged coordination polymers.
Lada, Zoi G.; Soto Beobide, Amaia; Savvidou, Aikaterini; Raptopoulou, Catherine P.; Psycharis, Vassilis; Voyiatzis, George A.; Turnbull, Mark M.; Perlepes, Spyros P.; Dalton transactions (Cambridge, England : 2003) 46 (2016) 260–274; doi:10.1039/c6dt03595g

data_7041254
_publ_section_title
;
 A unique copper(ii)-assisted transformation of acetylacetone dioxime in
 acetone that leads to one-dimensional, quinoxaline-bridged coordination
 polymers.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              260
_journal_page_last               274
_journal_paper_doi               10.1039/c6dt03595g
_journal_volume                  46
_journal_year                    2016
_chemical_formula_sum            'C32 H50 Cu2 N2 O8'
_chemical_formula_weight         717.82
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/6
_audit_update_record
;
2016-10-26 deposited with the CCDC.
2016-11-28 downloaded from the CCDC.
;
_cell_angle_alpha                71.0440(10)
_cell_angle_beta                 82.9830(10)
_cell_angle_gamma                73.7480(10)
_cell_formula_units_Z            2
_cell_length_a                   9.9649(2)
_cell_length_b                   11.0985(2)
_cell_length_c                   17.6722(3)
_cell_measurement_reflns_used    16823
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      71.81
_cell_measurement_theta_min      6.72
_cell_volume                     1773.55(6)
_computing_cell_refinement       'Crystal Clear, Rigaku MSC, 2005'
_computing_data_collection       'Crystal Clear, Rigaku MSC, 2005'
_computing_data_reduction        'Crystal Clear, Rigaku MSC, 2005'
_computing_molecular_graphics    'Diamond ver.3.1'
_computing_publication_material  'publCIF, J.Appl.Cryst. 2010, 43, 920-925'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.893
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IPDS'
_diffrn_measurement_method       '\q scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0578
_diffrn_reflns_Laue_measured_fraction_full 0.893
_diffrn_reflns_Laue_measured_fraction_max 0.950
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18264
_diffrn_reflns_point_group_measured_fraction_full 0.893
_diffrn_reflns_point_group_measured_fraction_max 0.950
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         64.978
_diffrn_reflns_theta_min         6.713
_diffrn_source
;
fine-focus sealed tube with graphite monochromator
;
_exptl_absorpt_coefficient_mu    1.875
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.800
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Crystal Clear, Rigaku MSC, 2005'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'hexagonal plate'
_exptl_crystal_F_000             756
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     520
_refine_ls_number_reflns         5724
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0406
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0561P)^2^+0.0323P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1059
_refine_ls_wR_factor_ref         0.1113
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4789
_reflns_number_total             5724
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03595g2.cif
_cod_data_source_block           compound1
_cod_depositor_comments
'Adding full bibliography for 7041254--7041255.cif.'
_cod_original_cell_volume        1773.56(6)
_cod_database_code               7041254
_shelxl_version_number           2014/6
_shelx_res_checksum              12094