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Information card for entry 4500209
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Coordinates | 4500209.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 Fe I N2 |
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Calculated formula | C15 H17 Fe I N2 |
SMILES | [I-].[Fe]12345678([c]9(c%10c[n+](n(c%10)C)C)[cH]1[cH]4[cH]6[cH]39)[cH]1[cH]8[cH]7[cH]2[cH]51 |
Title of publication | Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents |
Authors of publication | Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko |
Journal of publication | Crystal Growth & Design |
Year of publication | 2011 |
Journal volume | 11 |
Journal issue | 1 |
Pages of publication | 262 |
a | 36.863 ± 0.002 Å |
b | 5.8375 ± 0.0003 Å |
c | 13.9186 ± 0.0008 Å |
α | 90° |
β | 97.828 ± 0.001° |
γ | 90° |
Cell volume | 2967.2 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0358 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0597 |
Weighted residual factors for all reflections included in the refinement | 0.0762 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
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/4500209.html
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Users of the data should acknowledge the original authors of the
structural data.