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Information card for entry 7005157
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Coordinates | 7005157.cif |
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Original paper (by DOI) | HTML |
Formula | C31 H32 Fe N P Si |
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Calculated formula | C31 H32 Fe N P Si |
SMILES | [Fe]12345678([c]9([c]1([c]2([Si](c1ccccc1)(c1ccccc1)c1ccccc1)[cH]3[cH]49)CN(C)C)P)[cH]1[cH]8[cH]7[cH]6[cH]51 |
Title of publication | Aminoalkylferrocenyldichlorophosphanes: facile synthesis of versatile chiral starting materials. |
Authors of publication | Tschirschwitz, Steffen; Lönnecke, Peter; Hey-Hawkins, Evamarie |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 14 |
Pages of publication | 1377 - 1382 |
a | 10.0968 ± 0.0015 Å |
b | 12.1986 ± 0.0018 Å |
c | 12.968 ± 0.002 Å |
α | 65.532 ± 0.003° |
β | 71.067 ± 0.003° |
γ | 85.882 ± 0.003° |
Cell volume | 1371.5 ± 0.4 Å3 |
Cell temperature | 213 ± 2 K |
Ambient diffraction temperature | 213 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0757 |
Residual factor for significantly intense reflections | 0.0551 |
Weighted residual factors for significantly intense reflections | 0.1239 |
Weighted residual factors for all reflections included in the refinement | 0.1372 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7005157.html
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