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Information card for entry 7107860
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Coordinates | 7107860.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H26 Fe |
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Calculated formula | C50 H26 Fe |
SMILES | [Fe]12345678([cH]9[c]4([cH]3[cH]2[cH]19)c1c2ccc3ccc4ccc9ccc(c1)c1c2c3c4c91)[cH]1[c]8([cH]7[cH]6[cH]51)c1cc2ccc3ccc4ccc5ccc1c1c2c3c4c51 |
Title of publication | Corannulenylferrocenes: towards a 1D, non-covalent metal-organic nanowire |
Authors of publication | Berit Topolinski; Bernd M. Schmidt; Michael Kathan; Sergej I. Troyanov; Dieter Lentz |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 6298 |
a | 37.109 ± 0.001 Å |
b | 23.257 ± 0.001 Å |
c | 7.43 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6412.4 ± 0.9 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.0505 |
Residual factor for significantly intense reflections | 0.0434 |
Weighted residual factors for significantly intense reflections | 0.1108 |
Weighted residual factors for all reflections included in the refinement | 0.1187 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.88561 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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