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Information card for entry 7042454
Preview
Coordinates | 7042454.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H18 Cl Fe N3 O4 Re S2 |
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Calculated formula | C12 H18 Cl Fe N3 O4 Re S2 |
SMILES | C1C[N]23CCC[N]4([Fe]53(N=O)[S]1[Re](C#[O])(C#[O])(Cl)(C#[O])[S]5CC4)CC2 |
Title of publication | Comparisons of MN2S2vs. bipyridine as redox-active ligands to manganese and rhenium in (L-L)M'(CO)3Cl complexes. |
Authors of publication | Lunsford, Allen M.; Goldstein, Kristina F.; Cohan, Matthew A.; Denny, Jason A.; Bhuvanesh, Nattamai; Ding, Shengda; Hall, Michael B.; Darensbourg, Marcetta Y. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 5175 - 5182 |
a | 18.837 ± 0.0008 Å |
b | 10.3101 ± 0.0004 Å |
c | 9.3359 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1813.14 ± 0.13 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 8 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0288 |
Residual factor for significantly intense reflections | 0.024 |
Weighted residual factors for significantly intense reflections | 0.0546 |
Weighted residual factors for all reflections included in the refinement | 0.0563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
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/7042454.html
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Users of the data should acknowledge the original authors of the
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