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Information card for entry 4076383
Preview
Coordinates | 4076383.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H50 B20 N4 Ni |
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Calculated formula | C18 H50 B20 N4 Ni |
SMILES | [Ni]12([N](=C(NC(C)C)[C]3456[BH]789[BH]%10%11%12[BH]%13%14%15[BH]%163([BH]3%174[BH]457[BH]58%10[BH]7%11%13[BH]%14%163[BH]%17457)[C]169%12%15)C(C)C)[N](=C(NC(C)C)[C]1345[BH]678[BH]9%10%11[BH]%12%13%14[BH]%151([BH]1%163[BH]346[BH]479[BH]6%10%12[BH]%13%151[BH]%16346)[C]258%11%14)C(C)C |
Title of publication | Synthesis, Reactivity, and Structural Transformation of Mono- and Binuclear Carboranylamidinate-Based 3d Metal Complexes and Metallacarborane Derivatives |
Authors of publication | Yao, Zi-Jian; Jin, Guo-Xin |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 5 |
Pages of publication | 1767 |
a | 14.7384 ± 0.0015 Å |
b | 13.0987 ± 0.0013 Å |
c | 19.264 ± 0.002 Å |
α | 90° |
β | 108.937 ± 0.002° |
γ | 90° |
Cell volume | 3517.7 ± 0.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1038 |
Residual factor for significantly intense reflections | 0.0463 |
Weighted residual factors for significantly intense reflections | 0.1194 |
Weighted residual factors for all reflections included in the refinement | 0.1546 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.834 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4076383.html
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Users of the data should acknowledge the original authors of the
structural data.