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Information card for entry 4348650
Preview
Coordinates | 4348650.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | LFeFeCl |
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Formula | C44 H72 Cl Fe2 N4 P3 |
Calculated formula | C44 H72 Cl Fe2 N4 P3 |
SMILES | Cl[Fe]123[Fe]456N(c7c([N]6(c6ccccc6N4C[P]2(C(C)C)C(C)C)c2ccccc2N5C[P]3(C(C)C)C(C)C)cccc7)C[P]1(C(C)C)C(C)C.CCCCC |
Title of publication | Redox Pairs of Diiron and Iron-Cobalt Complexes with High-Spin Ground States. |
Authors of publication | Miller, Deanna L.; Siedschlag, Randall B.; Clouston, Laura J.; Young, Jr, Victor G; Chen, Yu-Sheng; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. |
Journal of publication | Inorganic chemistry |
Year of publication | 2016 |
Journal volume | 55 |
Journal issue | 19 |
Pages of publication | 9725 - 9735 |
a | 11.8877 ± 0.0006 Å |
b | 16.2378 ± 0.0008 Å |
c | 23.995 ± 0.0012 Å |
α | 90° |
β | 101.064 ± 0.001° |
γ | 90° |
Cell volume | 4545.7 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0675 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1121 |
Weighted residual factors for all reflections included in the refinement | 0.1258 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4348650.html
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