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Information card for entry 4071040
Preview
Coordinates | 4071040.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H28 B2 N2 Zr |
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Calculated formula | C30 H28 B2 N2 Zr |
SMILES | [Zr]123456789(N%10C1=CC=CB%10c1ccccc1)(N1C=CC=CB1c1ccccc1)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91 |
Title of publication | The Preparation and Crystal Structures of η1-Derivatives of 2-Phenyl-1,2-azaboratabenzene |
Authors of publication | Pan, Jun; Kampf, Jeff W.; Ashe III, Arthur J. |
Journal of publication | Organometallics |
Year of publication | 2008 |
Journal volume | 27 |
Journal issue | 6 |
Pages of publication | 1345 |
a | 14.7537 ± 0.0016 Å |
b | 11.6042 ± 0.0012 Å |
c | 15.1993 ± 0.0017 Å |
α | 90° |
β | 108.281 ± 0.002° |
γ | 90° |
Cell volume | 2470.9 ± 0.5 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.028 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0643 |
Weighted residual factors for all reflections included in the refinement | 0.0667 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
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/4071040.html
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Users of the data should acknowledge the original authors of the
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