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Information card for entry 2230093
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Coordinates | 2230093.cif |
---|---|
Structure factors | 2230093.hkl |
Original IUCr paper | HTML |
Chemical name | Tris(η^5^-cyclopentadienyl)hafnium(III) |
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Formula | C15 H15 Hf |
Calculated formula | C15 H15 Hf |
SMILES | [cH]12[cH]3[Hf]456789%10%11%12%132([cH]1[cH]4[cH]3%11)([cH]1[cH]9[cH]%12[cH]7[cH]51)[cH]1[cH]%10[cH]%13[cH]8C61 |
Title of publication | Tris(η^5^-cyclopentadienyl)hafnium(III) |
Authors of publication | Burlakov, Vladimir V.; Arndt, Perdita; Spannenberg, Anke; Rosenthal, Uwe |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 5 |
Pages of publication | m629 |
a | 7.9772 ± 0.0004 Å |
b | 7.9772 Å |
c | 10.2975 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 567.5 ± 0.04 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 176 |
Hermann-Mauguin space group symbol | P 63/m |
Hall space group symbol | -P 6c |
Residual factor for all reflections | 0.0382 |
Residual factor for significantly intense reflections | 0.0336 |
Weighted residual factors for significantly intense reflections | 0.0737 |
Weighted residual factors for all reflections included in the refinement | 0.0759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.217 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181222 (current) | 2016-04-03 | 2230093.cif 2230093.hkl | |
176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230093.cif |
120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230093.cif |
88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230093.cif |
26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230093.cif |
20163 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230093 via cif-deposit CGI script. |
2230093.cif |
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Users of the data should acknowledge the original authors of the
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