Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7027429
Preview
Coordinates | 7027429.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H39 Cl13 Mn N O5 P3 Sb2 |
---|---|
Calculated formula | C35 H39 Cl13 Mn N O5 P3 Sb2 |
SMILES | C(#[O])[Mn]1(C#[O])(C#[N][Sb](Cl)(Cl)(Cl)(Cl)Cl)([P](c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)c1ccccc1)[P](OCC)(OCC)OCC.[Cl-][Sb](Cl)(Cl)(Cl)(Cl)Cl.ClCCl |
Title of publication | The synthesis and structure of a paramagnetic Lewis base adduct of antimony pentachloride, trans-[MnII(CNSbCl5)(CO)2{P(OEt)3}(dppm)][SbCl6] † |
Authors of publication | Bellamy, Dena; Brown, Nathan C.; Connelly, Neil G.; Orpen, A. Guy |
Journal of publication | Journal of the Chemical Society, Dalton Transactions |
Year of publication | 1999 |
Journal issue | 18 |
Pages of publication | 3191 |
a | 16.267 ± 0.003 Å |
b | 13.822 ± 0.003 Å |
c | 24.993 ± 0.005 Å |
α | 90° |
β | 97.95 ± 0.03° |
γ | 90° |
Cell volume | 5565 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0585 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for all reflections | 0.1334 |
Weighted residual factors for significantly intense reflections | 0.1205 |
Goodness-of-fit parameter for all reflections | 1.111 |
Goodness-of-fit parameter for significantly intense reflections | 1.099 |
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/7027429.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.