Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079687
Preview
Coordinates | 4079687.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H88 N8 Zr |
---|---|
Calculated formula | C64 H88 N8 Zr |
SMILES | [Zr]123([N](=C(N1C(C)(C)C)N(C)C)CC)([N](=C(N2C(C)(C)C)N(C)C)CC)N(C(=C(N3c1c(cccc1C)C)Cc1ccccc1)Cc1ccccc1)c1c(cccc1C)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Migratory Insertion Reactions in Asymmetrical Guanidinate-Supported Zirconium Complexes |
Authors of publication | Fernández-Galán, Rafael; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; López-Solera, Isabel; Otero, Antonio; Serrano-Laguna, Amparo; Villaseñor, Elena |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8360 |
a | 11.8113 ± 0.0007 Å |
b | 16.1538 ± 0.0008 Å |
c | 16.9957 ± 0.0011 Å |
α | 72.863 ± 0.003° |
β | 79.891 ± 0.003° |
γ | 75.84 ± 0.003° |
Cell volume | 2985.8 ± 0.3 Å3 |
Cell temperature | 260 ± 2 K |
Ambient diffraction temperature | 260 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1161 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1383 |
Weighted residual factors for all reflections included in the refinement | 0.1663 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.988 |
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/4079687.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.