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Information card for entry 4108860
Preview
Coordinates | 4108860.cif |
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Original paper (by DOI) | HTML |
Formula | C53 H76 Cr N2 Si |
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Calculated formula | C53 H76 Cr N2 Si |
SMILES | [Cr]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[SiH](c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Understanding and Predicting Distorted T- versus Y-Geometries for Neutral Chromous Complexes Supported by a Sterically Encumbering β-Diketiminate Ligand |
Authors of publication | Hongjun Fan; Debashis Adhikari; Anas A. Saleh; Rodney L. Clark; Francisco J. Zuno-Cruz; Gloria Sanchez Cabrera; John C. Huffman; Maren Pink; Daniel J. Mindiola; Mu-Hyun Baik |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 17351 - 17361 |
a | 34.221 ± 0.003 Å |
b | 13.3963 ± 0.0012 Å |
c | 21.1992 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9718.5 ± 1.5 Å3 |
Cell temperature | 128 ± 2 K |
Ambient diffraction temperature | 128 ± 2 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.1184 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0923 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.804 |
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/4108860.html
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Users of the data should acknowledge the original authors of the
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