Mononuclear precursor for MOCVD of HfO2 thin filmsElectronic supplementary information (ESI) available: TG/DTA, and isothermal studies, RBS and AFM data of HfO2 film. See http://www.rsc.org/suppdata/cc/b4/b405015k/
Baunemann, Arne; Thomas, Reji; Becker, Ralf; Winter, Manuela; Fischer, Roland A.; Ehrhart, Peter; Waser, Rainer; Devi, Anjana; Chemical Communications  (2004) 1610–1611; doi:10.1039/b405015k

data_7110323
_publ_section_title
;
 Mononuclear precursor for MOCVD of HfO2 thin filmsElectronic
 supplementary information (ESI) available: TG/DTA, and isothermal
 studies, RBS and AFM data of HfO2 film. See
 http://www.rsc.org/suppdata/cc/b4/b405015k/
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1610
_journal_page_last               1611
_journal_paper_doi               10.1039/b405015k
_journal_year                    2004
_chemical_formula_sum            'C22 H40 Hf O8'
_chemical_formula_weight         611.03
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 97.548(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.872(3)
_cell_length_b                   15.312(4)
_cell_length_c                   18.599(4)
_cell_measurement_reflns_used    60
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      10.0
_cell_volume                     2787.1(13)
_computing_cell_refinement       SMART
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL-PLUS
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruke axs CCD 1000'
_diffrn_measurement_method       \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  0.1274
_diffrn_reflns_av_sigmaI/netI    0.1312
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7901
_diffrn_reflns_theta_full        25.13
_diffrn_reflns_theta_max         25.13
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    3.780
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.449
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1232
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.38
_refine_diff_density_max         1.273
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.891
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     147
_refine_ls_number_reflns         2471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.0800
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.082
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0954
_reflns_number_gt                1751
_reflns_number_total             2471
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b405015ksup1.cif
_cod_data_source_block           raf40
_cod_original_cell_volume        2787.1(12)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7110323