Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7000241
Preview
Coordinates | 7000241.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H36 Hf O16 |
---|---|
Calculated formula | C27 H36 Hf O16 |
SMILES | [Hf]1234(OC(=CC(=[O]1)OC)OC)([O]=C(OC)C=C(O2)OC)([O]=C(OC)C=C(O3)OC)OC(=CC(=[O]4)OC)OC.c1cc(ccc1)C |
Title of publication | Monomeric malonate precursors for the MOCVD of HfO2 and ZrO2 thin films |
Authors of publication | Pothiraja, Ramasamy; Milanov, Andrian; Parala, Harish; Winter, Manuela; Fischer, Roland A.; Devi, Anjana |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 4 |
Pages of publication | 654 |
a | 10.9049 ± 0.0003 Å |
b | 13.6935 ± 0.0005 Å |
c | 21.456 ± 0.0008 Å |
α | 90° |
β | 97.425 ± 0.003° |
γ | 90° |
Cell volume | 3177.08 ± 0.19 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0245 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0555 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.121 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179680 (current) | 2016-03-24 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/02. |
7000241.cif |
120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7000241.cif |
35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7000241.cif |
1143 | 2010-05-03 | cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition. |
7000241.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.