Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7038544
Preview
Coordinates | 7038544.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ni(LIPr)(CO)3 |
---|---|
Chemical name | [Nickle(0)-tricarbonyl-(2,8,9-triisopropyl-2,3,8,9-tetraaza-1-phosphabicyclo[3,3,3]undecane)] |
Formula | C18 H33 N4 Ni O3 P |
Calculated formula | C18 H33 N4 Ni O3 P |
SMILES | [Ni]([P]12N(C(C)C)CCN(CCN1C(C)C)CCN2C(C)C)(C#[O])(C#[O])C#[O] |
Title of publication | Electronic and steric Tolman parameters for proazaphosphatranes, the superbase core of the tri(pyridylmethyl)azaphosphatrane (TPAP) ligand. |
Authors of publication | Thammavongsy, Zachary; Kha, Ivy M.; Ziller, Joseph W.; Yang, Jenny Y. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 24 |
Pages of publication | 9853 - 9859 |
a | 9.4521 ± 0.0006 Å |
b | 16.0515 ± 0.0011 Å |
c | 14.5677 ± 0.001 Å |
α | 90° |
β | 93.8772 ± 0.0008° |
γ | 90° |
Cell volume | 2205.2 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0544 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0749 |
Weighted residual factors for all reflections included in the refinement | 0.081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.22 |
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/7038544.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.