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Information card for entry 4068449
Preview
Coordinates | 4068449.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H36 Fe P2 S Se |
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Calculated formula | C30 H36 Fe P2 S Se |
SMILES | [Fe]12345678([c]9(P(=[Se])(C(C)(C)C)C(C)(C)C)[cH]1[cH]2[cH]3[cH]49)[c]1(P(=S)(c2ccccc2)c2ccccc2)[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Synthesis, Characterization, and Electrochemistry of Compounds Containing 1-Diphenylphosphino-1′-(di-tert-butylphosphino)ferrocene (dppdtbpf) |
Authors of publication | Kahn, Sarah L.; Breheney, Meghan K.; Martinak, Sarah L.; Fosbenner, Stephanie M.; Seibert, Ashley R.; Kassel, W. Scott; Dougherty, William G.; Nataro, Chip |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 7 |
Pages of publication | 2119 |
a | 13.2042 ± 0.0007 Å |
b | 12.4223 ± 0.0006 Å |
c | 17.7166 ± 0.001 Å |
α | 90° |
β | 102.65 ± 0.002° |
γ | 90° |
Cell volume | 2835.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1391 |
Weighted residual factors for all reflections included in the refinement | 0.1857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4068449.html
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