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Information card for entry 4500211
Preview
Coordinates | 4500211.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H25 Fe I N2 |
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Calculated formula | C23 H25 Fe I N2 |
SMILES | c1cc(ccc1[n+]1cn(cc1)CCCC)[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]8[cH]7[cH]62.[I-] |
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 | 15.0403 ± 0.0014 Å |
b | 15.055 ± 0.0014 Å |
c | 18.998 ± 0.0018 Å |
α | 90° |
β | 90.773 ± 0.002° |
γ | 90° |
Cell volume | 4301.4 ± 0.7 Å3 |
Cell temperature | 193 K |
Ambient diffraction temperature | 193 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 | 0.0792 |
Residual factor for significantly intense reflections | 0.0613 |
Weighted residual factors for significantly intense reflections | 0.1938 |
Weighted residual factors for all reflections included in the refinement | 0.2034 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179533 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/02. |
4500211.cif |
132559 | 2015-02-28 | cif/ (antanas@koala.ibt.lt) Removed trailing "glued" strings " ===END' from the values of '_refine_diff_density_rms' for 43 CIFs in range 4. |
4500211.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500211.cif |
34402 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500207, 4500208, 4500209, 4500210, 4500211, 4500212, 4500213, 4500214 via cif-deposit CGI script. |
4500211.cif |
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Users of the data should acknowledge the original authors of the
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