Guanidinate-stabilized monomeric hafnium amide complexes as promising precursors for MOCVD of HfO2.
Milanov, Andrian; Bhakta, Raghunandan; Baunemann, Arne; Becker, Hans-Werner; Thomas, Reji; Ehrhart, Peter; Winter, Manuela; Devi, Anjana; Inorganic chemistry 45 (2006) 11008–11018; doi:10.1021/ic061056i

data_4350516
_publ_section_title
;
 Guanidinate-stabilized monomeric hafnium amide complexes as promising
 precursors for MOCVD of HfO2.
;
_journal_issue                   26
_journal_name_full               'Inorganic chemistry'
_journal_page_first              11008
_journal_page_last               11018
_journal_paper_doi               10.1021/ic061056i
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C30 H68 Hf N8'
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_space_group_name_H-M_alt        'P 1 21/c 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 95.873(10)
_cell_angle_gamma                90.00
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_cell_length_a                   10.3775(13)
_cell_length_b                   38.724(5)
_cell_length_c                   18.244(2)
_cell_measurement_reflns_used    3680
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      2.51
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_computing_cell_refinement       'CrysAlis RED 1.171.13'
_computing_data_collection       'CrysAlis CCD 1.171.13'
_computing_data_reduction        'CrysAlis RED 1.171.13'
_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      110(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Sapphire2-CCD, Oxford Diffraction'
_diffrn_measurement_method       '1109 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
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_diffrn_reflns_limit_k_min       -46
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         2.86
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_exptl_absorpt_correction_T_min  0.699
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_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.310
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_refine_diff_density_max         2.560
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         12907
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.1259
_refine_ls_R_factor_gt           0.0762
_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^)+(0.0732P)^2^+4.8929P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_cod_original_cell_volume        7293.1(16)
_cod_original_sg_symbol_H-M      P2(1)/c
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