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Information card for entry 4066034
Preview
Coordinates | 4066034.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H38 Cr2 O8 Si |
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Calculated formula | C35 H38 Cr2 O8 Si |
SMILES | [c]12([c]3([c]4([c]5([c]67ccc(c[c]16[Cr]23457(C#[O])(C#[O])C#[O])/C=C/[c]12[cH]3[cH]4[cH]5[cH]6[cH]1[Cr]23456(C#[O])(C#[O])C#[O])OC)CC)CC)O[Si](C)(C)C(C)(C)C |
Title of publication | Hydroquinoid Chromium Complexes Bearing an Acyclic Conjugated Bridge: Chromium-Templated Synthesis, Molecular Structure, and Haptotropic Metal Migration |
Authors of publication | Hegele, Peter; Santhamma, Bindu; Schnakenburg, Gregor; Fröhlich, Roland; Kataeva, Olga; Nieger, Martin; Kotsis, Konstantinos; Neese, Frank; Dötz, Karl Heinz |
Journal of publication | Organometallics |
Year of publication | 2010 |
Journal volume | 29 |
Journal issue | 23 |
Pages of publication | 6172 |
a | 8.591 ± 0.0002 Å |
b | 9.8163 ± 0.0003 Å |
c | 20.824 ± 0.0007 Å |
α | 80.0285 ± 0.001° |
β | 86.8668 ± 0.001° |
γ | 81.215 ± 0.0017° |
Cell volume | 1708.59 ± 0.09 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.114 |
Residual factor for significantly intense reflections | 0.0515 |
Weighted residual factors for significantly intense reflections | 0.0962 |
Weighted residual factors for all reflections included in the refinement | 0.1206 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
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/4066034.html
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Users of the data should acknowledge the original authors of the
structural data.