Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7041090
Preview
Coordinates | 7041090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H28 Cr Fe N2 O5 P2 |
---|---|
Calculated formula | C23 H28 Cr Fe N2 O5 P2 |
SMILES | [Fe]123456789[c]%10([P](P(N(CC)CC)[c]%115[cH]6[cH]7[cH]8[cH]9%11)(N(CC)CC)[Cr](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[cH]1[cH]2[cH]3[cH]4%10 |
Title of publication | Synthesis and coordination chemistry of (PNEt2)2-bridged [2]ferrocenophanes. |
Authors of publication | Maeno, Yuki; Ishizu, Yuko; Kubo, Kazuyuki; Kume, Shoko; Mizuta, Tsutomu |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 47 |
Pages of publication | 19034 - 19044 |
a | 10.762 ± 0.003 Å |
b | 10.976 ± 0.004 Å |
c | 22.401 ± 0.006 Å |
α | 90.47 ± 0.03° |
β | 92.3 ± 0.02° |
γ | 91.95 ± 0.02° |
Cell volume | 2642.3 ± 1.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0928 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1553 |
Weighted residual factors for all reflections included in the refinement | 0.1703 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
Diffraction radiation wavelength | 0.71069 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/7041090.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.