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Information card for entry 7029931
Preview
Coordinates | 7029931.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H47 B10 I N2 |
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Calculated formula | C29 H47 B10 I N2 |
SMILES | I[B]1234[BH]567[BH]891[CH]1%10[CH]%11%12[BH]581[BH]16%11[BH]527[BH]2%121[BH]135[BH]49%10[BH]21=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Reaction of o-carboranes with sterically demanding N-heterocyclic carbene: synthesis and structural characterization of 1 : 1 adducts. |
Authors of publication | Zheng, Fangrui; Xie, Zuowei |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 41 |
Pages of publication | 12907 - 12914 |
a | 18.2026 ± 0.001 Å |
b | 12.9296 ± 0.0007 Å |
c | 15.5215 ± 0.0008 Å |
α | 90° |
β | 98.656 ± 0.001° |
γ | 90° |
Cell volume | 3611.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.066 |
Residual factor for significantly intense reflections | 0.0522 |
Weighted residual factors for significantly intense reflections | 0.1574 |
Weighted residual factors for all reflections included in the refinement | 0.2 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
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/7029931.html
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Users of the data should acknowledge the original authors of the
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