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Information card for entry 4076300
Preview
Coordinates | 4076300.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H46 Fe Si4 |
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Calculated formula | C30 H46 Fe Si4 |
SMILES | [Fe]12345678([c]9([Si](C)(C)C)[c]%101[c]2([c]3([Si](C)(C)C)[cH]49)cccc%10)[c]1([Si](C)(C)C)[c]25[c]6([c]7([Si](C)(C)C)[cH]81)cccc2 |
Title of publication | Synthesis and Characterization of Zirconium and Iron Complexes Containing Substituted Indenyl Ligands: Evaluation of Steric and Electronic Parameters |
Authors of publication | Bradley, Christopher A.; Flores-Torres, Samuel; Lobkovsky, Emil; Abruña, Hector D.; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Journal issue | 22 |
Pages of publication | 5332 |
a | 19.484 ± 0.004 Å |
b | 10.233 ± 0.002 Å |
c | 18.659 ± 0.004 Å |
α | 90° |
β | 118.391 ± 0.004° |
γ | 90° |
Cell volume | 3272.8 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0726 |
Residual factor for significantly intense reflections | 0.0542 |
Weighted residual factors for significantly intense reflections | 0.1291 |
Weighted residual factors for all reflections included in the refinement | 0.1373 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
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/4076300.html
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