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Information card for entry 7029932
Preview
Coordinates | 7029932.cif |
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Original paper (by DOI) | HTML |
Formula | C32 H52 B10 N2 |
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Calculated formula | C32 H52 B10 N2 |
SMILES | [BH]1234[BH]567[BH]891[BH]1%10%11[C]%1258CCC[C]57%12[BH]736[BH]362[BH]21([BH]%10(=C1N(c8c(cccc8C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)[BH]5762)[BH]49%113 |
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 | 10.7261 ± 0.0009 Å |
b | 18.1929 ± 0.0015 Å |
c | 20.3465 ± 0.0018 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3970.4 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 57 |
Hermann-Mauguin space group symbol | P b c m |
Hall space group symbol | -P 2c 2b |
Residual factor for all reflections | 0.1161 |
Residual factor for significantly intense reflections | 0.0664 |
Weighted residual factors for significantly intense reflections | 0.175 |
Weighted residual factors for all reflections included in the refinement | 0.1982 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
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/7029932.html
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