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Information card for entry 4073119
Preview
Coordinates | 4073119.cif |
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Original paper (by DOI) | HTML |
Formula | C41 H65 B Ca N2 O |
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Calculated formula | C41 H65 B Ca N2 O |
SMILES | [Ca]12([H][B]3([H]1)C1CCCC3CCC1)([O]1CCCC1)N(C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Reactions of β-Diketiminate-Stabilized Calcium Amides with 9-Borabicyclo[3.3.1]nonane (9-BBN) |
Authors of publication | Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 16 |
Pages of publication | 4076 |
a | 12.2271 ± 0.0017 Å |
b | 18.577 ± 0.003 Å |
c | 18.876 ± 0.002 Å |
α | 103.568 ± 0.01° |
β | 101.002 ± 0.009° |
γ | 97.642 ± 0.005° |
Cell volume | 4019.7 ± 1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.1404 |
Residual factor for significantly intense reflections | 0.0789 |
Weighted residual factors for significantly intense reflections | 0.1382 |
Weighted residual factors for all reflections included in the refinement | 0.1628 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4073119.html
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