<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)
Jiang, Li-Fang; Acta Crystallographica Section C 66 (2010) m375–m378; doi:10.1107/S0108270110044343

data_2017917
_publ_section_title
;
 <i>catena</i>-Poly[copper(II)-di-\m-acetylacetonato-copper(II)-bis(\m-4-hydroxy-3-methoxybenzaldehyde
 picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde
 picoloylhydrazonato)copper(II)
;
_journal_coeditor_code           MX3036
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m375
_journal_page_last               m378
_journal_paper_doi               10.1107/S0108270110044343
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu (C14 H12 N3 O2) (C5 H7 O2)]'
_chemical_formula_moiety         'C19 H19 Cu N3 O4'
_chemical_formula_sum            'C19 H19 Cu N3 O4'
_chemical_formula_weight         416.91
_chemical_name_systematic
;
(acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazone)copper(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.78(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.4198(15)
_cell_length_b                   14.969(3)
_cell_length_c                   15.885(3)
_cell_measurement_reflns_used    1904
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     1763.4(6)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       '\f and \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  0.1254
_diffrn_reflns_av_sigmaI/netI    0.1233
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16505
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    1.270
_exptl_absorpt_correction_T_max  0.806
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.570
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             860
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.390
_refine_diff_density_min         -0.505
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     247
_refine_ls_number_reflns         4005
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.906
_refine_ls_R_factor_all          0.1351
_refine_ls_R_factor_gt           0.0505
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0677P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1540
_reflns_number_gt                1904
_reflns_number_total             4005
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            mx3036.cif
_cod_data_source_block           II
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               2017917
_cod_database_fobs_code          2017917