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Information card for entry 4324469
Preview
Coordinates | 4324469.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H43 Bi N4 |
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Calculated formula | C27 H43 Bi N4 |
SMILES | [Bi]123([N](Cc4c3c(ccc4)CN(C)C)(C)C)([N](Cc3c2c(ccc3)C[N]1(C)C)(C)C)CC=C |
Title of publication | Bismuth Coordination Chemistry with Allyl, Alkoxide, Aryloxide, and Tetraphenylborate Ligands and the {[2,6-(Me2NCH2)2C6H3]2Bi}+ Cation |
Authors of publication | Ian J. Casely; Joseph W. Ziller; Bruce J. Mincher; William J. Evans |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1513 - 1520 |
a | 9.9777 ± 0.0005 Å |
b | 17.5299 ± 0.0009 Å |
c | 16.9668 ± 0.0008 Å |
α | 90° |
β | 106.725 ± 0.0005° |
γ | 90° |
Cell volume | 2842.1 ± 0.2 Å3 |
Cell temperature | 148 ± 2 K |
Ambient diffraction temperature | 148 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0222 |
Residual factor for significantly intense reflections | 0.0182 |
Weighted residual factors for significantly intense reflections | 0.043 |
Weighted residual factors for all reflections included in the refinement | 0.0445 |
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 | No |
Has Fobs | No |
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