Dichloro[(η^5^-cyclopentadienyl)dimethyl(η^5^-3-phenylindenyl)silane]hafnium(IV): a powder study
Burley, Jonathan C.; Motherwell, W. D. Sam; Maaranen, Janne; Ringwald, Markus; Acta Crystallographica Section E 63 (2007) m238–m240; doi:10.1107/S1600536806051269

data_2211956
_publ_section_title
;Dichloro[(\h^5^-cyclopentadienyl)dimethyl(\h^5^-3-phenylindenyl)silane]hafnium(IV):
 a powder study
;
_journal_coeditor_code           TK2099
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m238
_journal_page_last               m240
_journal_paper_doi               10.1107/S1600536806051269
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Hf (C22 H20 Si1) Cl2]'
_chemical_formula_moiety         'C22 H20 Cl2 Hf1 Si1'
_chemical_formula_structural     'C22 H20 Cl2 Hf1 Si1'
_chemical_formula_sum            'C22 H20 Cl2 Hf Si'
_chemical_formula_weight         561.88
_chemical_name_systematic
;
Dichloro[(\h^5^-cyclopentadienyl)dimethyl(\h^5^-3-
phenylindenyl)silane]hafnium(IV)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.974(2)
_cell_angle_beta                 108.693(2)
_cell_angle_gamma                80.501(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1894(4)
_cell_length_b                   11.0993(4)
_cell_length_c                   9.6940(4)
_cell_measurement_temperature    293
_cell_volume                     1024.07(7)
_computing_data_collection       'Stoe software'
_computing_data_reduction        'Stoe software'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'please supply'
_computing_structure_refinement  GSAS
_computing_structure_solution    'please supply'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'Stoe Stadi-P'
_diffrn_radiation_monochromator  'primary focussing, Ge 111'
_diffrn_radiation_type           'Co K\a'
_diffrn_radiation_wavelength     1.78892
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;
GSAS Absorption/surface roughness correction: function number 0
No correction is applied.
;
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_F_000             544
_refine_diff_density_max         3.29463E-01
_refine_diff_density_min         -2.65525E-01
_refine_ls_goodness_of_fit_all   1.04
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_restraints     166
_refine_ls_shift/su_max          0.03
_refine_ls_shift/su_mean         0.00
_reflns_number_total             380
_cod_data_source_file            tk2099.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_geom_bond_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (119
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (85 times).

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (119
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (85 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_formula_sum        'C22 H20 Cl2 Hf1 Si1'
_cod_database_code               2211956