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Information card for entry 2009135
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Coordinates | 2009135.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate |
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Formula | C16 H22 Fe N6 O S2 |
Calculated formula | C16 H22 Fe N6 O S2 |
SMILES | [Fe]([cH]12)([cH]13)([cH]21)([cH]12)([cH]23\C(=N/NC(=S)N)C)([cH]12)([cH]13)([cH]21)([cH]12)[cH]23\C(=N/NC(=S)N)C.O |
Title of publication | 1,1'-Diacetylferrocene bis(thiosemicarbazone) monohydrate |
Authors of publication | Wen Xiao; Zhong-Lin Lu; Rui-Ying Li; Cheng-Xong Su; Bei-Sheng Kang; S. Shanmuga Sundara Raj; Hoong-Kun Fun |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1999 |
Journal volume | 55 |
Journal issue | 11 |
Pages of publication | 1762 - 1764 |
a | 29.0676 ± 0.0002 Å |
b | 8.8013 ± 0.0001 Å |
c | 18.447 ± 0.0001 Å |
α | 90° |
β | 125.978 ± 0.001° |
γ | 90° |
Cell volume | 3819.1 ± 0.07 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
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 | 0.056 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
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/2009135.html
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