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Information card for entry 2215466
Preview
Coordinates | 2215466.cif |
---|---|
Structure factors | 2215466.hkl |
Original IUCr paper | HTML |
Chemical name | 1,1'-[1,4-Phenylenebis(methylene)]dipyridinium hexacyanidoferrate(II) octahydrate |
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Formula | C42 H52 Fe N10 O8 |
Calculated formula | C42 H52 Fe N10 O8 |
SMILES | C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.c1cccc[n+]1Cc1ccc(C[n+]2ccccc2)cc1.[n+]1(ccccc1)Cc1ccc(C[n+]2ccccc2)cc1.O.O.O.O.O.O.O.O |
Title of publication | 1,1'-[1,4-Phenylenebis(methylene)]dipyridinium hexacyanidoferrate(II) octahydrate |
Authors of publication | Tang, Ming-Sheng; Wu, Yang-Jie; Liu, Xiu-Cun; Du, Chen-Xia; Niu, Yun-Yin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 10 |
Pages of publication | m2517 - m2517 |
a | 9.4119 ± 0.0014 Å |
b | 10.7164 ± 0.0016 Å |
c | 12.321 ± 0.003 Å |
α | 104.955 ± 0.002° |
β | 101.123 ± 0.003° |
γ | 104.538 ± 0.002° |
Cell volume | 1117.2 ± 0.4 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.1598 |
Weighted residual factors for all reflections included in the refinement | 0.1759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2215466.html
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Users of the data should acknowledge the original authors of the
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