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Information card for entry 8000005
Preview
Coordinates | 8000005.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H29 Cl Fe N8 O4 |
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Calculated formula | C18 H29 Cl Fe N8 O4 |
SMILES | [Fe]12345[n]6c([nH]cc6C=[N]1CCC[NH]2CC[NH]3CCC[N]4=Cc1n5c(nc1)C)C.Cl(=O)(=O)(=O)[O-] |
Title of publication | An Abrupt Spin Crossover FeII Complex Based on Homochiral Chain |
Authors of publication | Nicolas Bréfuel; Sergiu Shova; Jean-Pierre Tuchagues; Naohide Matsumoto |
Journal of publication | Chemistry Letters |
Year of publication | 2005 |
Journal volume | 34 |
Journal issue | 8 |
Pages of publication | 1092 |
a | 12.734 ± 0.003 Å |
b | 15.289 ± 0.003 Å |
c | 21.844 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4253 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0593 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1132 |
Weighted residual factors for all reflections included in the refinement | 0.1188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
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/8000005.html
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