Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081833
Preview
Coordinates | 4081833.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H60 O Ti2 |
---|---|
Calculated formula | C40 H60 O Ti2 |
SMILES | C[c]12[Ti]3456789(O[Ti]%10%11%12%13%14%15%16%17([c]%18([c]%10([c]%11([c]%12([c]%13%18C)C)C)C)C)[c]%10([c]%14([c]%15([c]%16([c]%17%10C)C)C)C)C)([c]1([c]4([c]6([c]72C)C)C)C)[c]1([c]3([c]8([c]9([c]51C)C)C)C)C |
Title of publication | Synthesis and Structure of Titanium(III) Bis(decamethyltitanocene) Oxide |
Authors of publication | Pinkas, Jiří; Císařová, Ivana; Gyepes, Róbert; Kubišta, Jiří; Horáček, Michal; Mach, Karel |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 21 |
Pages of publication | 6306 |
a | 11.1196 ± 0.0004 Å |
b | 11.262 ± 0.0003 Å |
c | 13.9387 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1745.53 ± 0.09 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 4 |
Space group number | 23 |
Hermann-Mauguin space group symbol | I 2 2 2 |
Hall space group symbol | I 2 2 |
Residual factor for all reflections | 0.0226 |
Residual factor for significantly intense reflections | 0.0219 |
Weighted residual factors for significantly intense reflections | 0.0615 |
Weighted residual factors for all reflections included in the refinement | 0.0619 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4081833.html
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.