β-Fe2O3 nanomaterials from an iron(II) diketonate-diamine complex: a study from molecular precursor to growth process.
Barreca, Davide; Carraro, Giorgio; Devi, Anjana; Fois, Ettore; Gasparotto, Alberto; Seraglia, Roberta; Maccato, Chiara; Sada, Cinzia; Tabacchi, Gloria; Tondello, Eugenio; Venzo, Alfonso; Winter, Manuela; Dalton transactions (Cambridge, England : 2003) 41 (2012) 149–155; doi:10.1039/c1dt11342a

data_7017701
_publ_section_title
;
 \b-Fe2O3 nanomaterials from an iron(II) diketonate-diamine complex: a
 study from molecular precursor to growth process.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              149
_journal_page_last               155
_journal_paper_doi               10.1039/c1dt11342a
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C16 H18 F12 Fe N2 O4'
_chemical_formula_weight         586.17
_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                 107.653(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.2238(5)
_cell_length_b                   10.4030(3)
_cell_length_c                   17.1899(6)
_cell_measurement_reflns_used    7746
_cell_measurement_temperature    104(2)
_cell_measurement_theta_max      28.844
_cell_measurement_theta_min      3.029
_cell_volume                     2253.41(14)
_computing_cell_refinement       'CrysAlis 1.171.34.46,Oxford Diffraction'
_computing_data_collection       'CrysAlis 1.171.34.46,Oxford Diffraction'
_computing_data_reduction        'CrysAlis 1.171.34.46,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      104(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_measurement_method       '671 images at 1.0 deg. in \w and 25 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  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0169
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            21769
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    0.794
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   'Gaussian face-indexed'
_exptl_crystal_colour            'deep red'
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.340
_refine_diff_density_min         -0.203
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     320
_refine_ls_number_reflns         4081
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0260
_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^)+(0.0316P)^2^+1.1661P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0627
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                3645
_reflns_number_total             4081
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt11342a.txt
_cod_data_source_block           exp1829
_cod_original_cell_volume        2253.41(13)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7017701