Synthesis and characterization of bis (acetylacetonato κ-O, O') [zinc(ii)/copper(ii)] hybrid organic-inorganic complexes as solid metal organic precursors.
Rooydell, Reza; Wang, Ruey-Chi; Brahma, Sanjaya; Ebrahimzadeh, Farzaneh; Liu, Chuan-Pu; Dalton transactions (Cambridge, England : 2003) 44 (2015) 7982–7990; doi:10.1039/c5dt00808e

data_7034574
_publ_section_title
;
 Synthesis and characterization of bis (acetylacetonato \k-O, O')
 [zinc(ii)/copper(ii)] hybrid organic-inorganic complexes as solid metal
 organic precursors.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7982
_journal_page_last               7990
_journal_paper_doi               10.1039/c5dt00808e
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C10 H14 Cu0.28 O4 Zn0.67'
_chemical_formula_sum            'C10 H14 Cu0.28 O4 Zn0.67'
_chemical_formula_weight         259.82
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-01-15 deposited with the CCDC.
2015-03-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 91.881(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.329(4)
_cell_length_b                   4.6947(18)
_cell_length_c                   11.369(4)
_cell_measurement_reflns_used    1261
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.62
_cell_volume                     551.0(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SMART'
_computing_publication_material  'Bruker SMART'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3905
_diffrn_reflns_theta_full        28.22
_diffrn_reflns_theta_max         28.22
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    2.044
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6005
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.566
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.97
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.014
_refine_diff_density_max         0.272
_refine_diff_density_min         -0.309
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     74
_refine_ls_number_reflns         1356
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0323
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+0.2077P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0872
_reflns_number_gt                1017
_reflns_number_total             1356
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5dt00808e1.cif
_cod_data_source_block           20120615
_cod_depositor_comments          'Adding full bibliography for 7034574.cif.'
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7034574