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Information card for entry 4326153
Preview
Coordinates | 4326153.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H26 Fe N6 O S2 |
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Calculated formula | C23 H26 Fe N6 O S2 |
SMILES | [Fe]123([n]4ccccc4C[N]3(Cc3[n]1cccc3)Cc1[n]2cccc1)(N=C=S)N=C=S.CC(C)O |
Title of publication | Reversible and Irreversible Vapor-Induced Guest Molecule Exchange in Spin-Crossover Compounds |
Authors of publication | Rong-Jia Wei; Jun Tao; Rong-Bin Huang; Lan-Sun Zheng |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8553 - 8564 |
a | 12.3112 ± 0.0007 Å |
b | 11.9321 ± 0.0006 Å |
c | 17.8403 ± 0.0012 Å |
α | 90° |
β | 93 ± 0.005° |
γ | 90° |
Cell volume | 2617.1 ± 0.3 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1123 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.0991 |
Weighted residual factors for all reflections included in the refinement | 0.1096 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
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/4326153.html
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