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_7041255
_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            'C28 H42 Cu2 N2 O8'
_chemical_formula_weight         661.71
_space_group_crystal_system      orthorhombic
_space_group_IT_number           33
_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_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                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.2259(4)
_cell_length_b                   17.2370(3)
_cell_length_c                   9.3165(2)
_cell_measurement_reflns_used    13370
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.88
_cell_measurement_theta_min      6.62
_cell_volume                     3408.64(11)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.664
_diffrn_measured_fraction_theta_max 0.980
_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  0.0629
_diffrn_reflns_av_unetI/netI     0.0919
_diffrn_reflns_Laue_measured_fraction_full 0.664
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            16260
_diffrn_reflns_point_group_measured_fraction_full 0.660
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         53.980
_diffrn_reflns_theta_min         6.617
_diffrn_source
;
fine-focus sealed tube with graphite monochromator
;
_exptl_absorpt_coefficient_mu    1.908
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Crystal Clear, Rigaku MSC, 2005'
_exptl_crystal_colour            green-blue
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelepide
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.544
_refine_diff_density_min         -0.861
_refine_diff_density_rms         0.100
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.44(11)
_refine_ls_extinction_coef       0.0011(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.133
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     374
_refine_ls_number_reflns         4009
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.132
_refine_ls_R_factor_all          0.1094
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0548P)^2^+10.2777P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1224
_refine_ls_wR_factor_ref         0.1744
_reflns_Friedel_coverage         0.864
_reflns_Friedel_fraction_full    0.656
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                2559
_reflns_number_total             4009
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c6dt03595g2.cif
_cod_data_source_block           compound2
_cod_depositor_comments
'Adding full bibliography for 7041254--7041255.cif.'
_cod_database_code               7041255
_shelxl_version_number           2014/6
_shelx_res_checksum              63292