Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4088975
Preview
| Coordinates | 4088975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C95 H154 N2 O4 P4 Zr2 |
|---|---|
| Calculated formula | C90 H142 N2 O4 P4 Zr2 |
| Title of publication | Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions |
| Authors of publication | Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J. |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 36 |
| Journal issue | 1 |
| Pages of publication | 74 |
| a | 12.9074 ± 0.0005 Å |
| b | 12.9602 ± 0.0004 Å |
| c | 15.8333 ± 0.0006 Å |
| α | 83.298 ± 0.002° |
| β | 86.298 ± 0.002° |
| γ | 60.308 ± 0.002° |
| Cell volume | 2285.08 ± 0.15 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0399 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0955 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237905 (current) | 2019-11-24 | cif/ Adding structures of 4088975, 4088976, 4088977 via cif-deposit CGI script. |
4088975.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.