A Cobalt(II) Hexafluoroacetylacetonate Ethylenediamine Complex As a CVD Molecular Source of Cobalt Oxide Nanostructures
Giuliano Bandoli; Davide Barreca; Alberto Gasparotto; Chiara Maccato; Roberta Seraglia; Eugenio Tondello; Anjana Devi; Roland A. Fischer; Manuela Winter; Inorganic Chemistry 48 (2009) 82–89; doi:10.1021/ic801212v

data_4301073
_publ_section_title
;
A Cobalt(II) Hexafluoroacetylacetonate Ethylenediamine Complex As a CVD
Molecular Source of Cobalt Oxide Nanostructures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              82
_journal_page_last               89
_journal_paper_doi               10.1021/ic801212v
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C16 H18 Co F12 N2 O4'
_chemical_formula_weight         589.25
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 108.279(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1629(2)
_cell_length_b                   10.35360(10)
_cell_length_c                   17.2325(3)
_cell_measurement_reflns_used    20000
_cell_measurement_temperature    107(2)
_cell_measurement_theta_max      27.499
_cell_measurement_theta_min      2.60
_cell_volume                     2230.00(6)
_computing_cell_refinement       'CrysAlis RED 1.171.13, Oxford Diffraction'
_computing_data_collection       'CrysAlis CCD 1.171.13, Oxford Diffraction'
_computing_data_reduction        'CrysAlis RED 1.171.13, Oxford Diffraction'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      107(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Sapphire2-CCD, Oxford Diffraction'
_diffrn_measurement_method       '1106 images at 1.0 deg. in \w and 20 sec.'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0217
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            41371
_diffrn_reflns_theta_full        27.58
_diffrn_reflns_theta_max         27.58
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    0.896
_exptl_absorpt_correction_T_max  0.7103
_exptl_absorpt_correction_T_min  0.6156
_exptl_absorpt_correction_type   'numeric analytical'
_exptl_absorpt_process_details   'Gaussian face-indexed'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1180
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.41
_refine_diff_density_max         0.439
_refine_diff_density_min         -0.244
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         5134
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0273
_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^)+(0.0442P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                4173
_reflns_number_total             5134
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801212v_si_001.cif
_cod_data_source_block           Co(hfa)2_tmeda
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4301073