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Information card for entry 4078174
Preview
Coordinates | 4078174.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H37 Fe Ge N O S |
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Calculated formula | C32 H37 Fe Ge N O S |
SMILES | [Fe]1234(=CN(C)C)(C#[O])(S[Ge](c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1(C)[c]2([c]3(C)[c]45C)C)C |
Title of publication | Catalytic Synthesis of Cyclic and Linear Germoxanes Mediated by an Iron Complex |
Authors of publication | Kamitani, Masahiro; Fukumoto, Kozo; Tada, Ryosuke; Itazaki, Masumi; Nakazawa, Hiroshi |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 8 |
Pages of publication | 2957 |
a | 14.2808 ± 0.0019 Å |
b | 10.8004 ± 0.0014 Å |
c | 19.383 ± 0.003 Å |
α | 90° |
β | 98.592 ± 0.003° |
γ | 90° |
Cell volume | 2956.1 ± 0.7 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0591 |
Residual factor for significantly intense reflections | 0.0469 |
Weighted residual factors for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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