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Information card for entry 7016162
Preview
Coordinates | 7016162.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H27 B9 Fe |
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Calculated formula | C13 H27 B9 Fe |
SMILES | [Fe]123456789([BH]%10%11%12[BH]%13%14%15[CH]%163%10[BH]3%101[CH]1%172[BH]24%11[BH]4%111[BH]13%17[BH]%13%16%10[BH]%15%111[BH]%12%1424)[c]1([c]6([c]7([c]9([c]8([cH]51)C)C)C)C)C |
Title of publication | Thermal isomerization of η(6)-arene ferradicarbolllides. Experimental proof for isolobal relation between (η(6)-arene)Fe and (η(5)-cyclopentadienyl)Co cluster units. |
Authors of publication | Holub, Josef; Stíbr, Bohumil; Bakardjiev, Mario; Růžička, Aleš; Padělková, Zdeňka |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 25 |
Pages of publication | 6623 - 6625 |
a | 10.7301 ± 0.0007 Å |
b | 12.0972 ± 0.0012 Å |
c | 26.5778 ± 0.0014 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3449.9 ± 0.4 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0712 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.0961 |
Weighted residual factors for all reflections included in the refinement | 0.1093 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.094 |
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/7016162.html
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Users of the data should acknowledge the original authors of the
structural data.