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Information card for entry 7117916
Preview
Coordinates | 7117916.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H112 B2 Cr2 N14 O4 |
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Calculated formula | C64 H112 B2 Cr2 N14 O4 |
SMILES | [BH]12n3c(cc(C(C)(C)C)[n]3[Cr]([n]3n1c(C)cc3C(C)(C)C)([N]#[N][Cr]13[n]4c(cc(C)n4[BH](n4[n]1c(cc4C)C(C)(C)C)n1[n]3c(cc1C)C(C)(C)C)C(C)(C)C)[n]1c(cc(n21)C)C(C)(C)C)C.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
Title of publication | Mechanism-based design of labile precursors for chromium(I) chemistry |
Authors of publication | Eser S. Akturk; Glenn P. A. Yap; Klaus H. Theopold |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 15402 |
a | 9.552 ± 0.004 Å |
b | 12.156 ± 0.006 Å |
c | 17.626 ± 0.007 Å |
α | 77.672 ± 0.01° |
β | 75.089 ± 0.007° |
γ | 66.894 ± 0.007° |
Cell volume | 1804.4 ± 1.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1128 |
Residual factor for significantly intense reflections | 0.0799 |
Weighted residual factors for significantly intense reflections | 0.2201 |
Weighted residual factors for all reflections included in the refinement | 0.2506 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7117916.html
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Users of the data should acknowledge the original authors of the
structural data.