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Information card for entry 4069982
Preview
Coordinates | 4069982.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H29 Br2 N O Ru |
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Calculated formula | C30 H29 Br2 N O Ru |
SMILES | [Ru]12345678([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)[cH]1[c]8([c]7([cH]6[cH]51)C(=O)C)/C(=N/c1c(Br)cccc1Br)c1ccccc1 |
Title of publication | An Efficient, Modular Route to New 2-Acyl-6-aminopentafulvenes and Planar-Chiral [N,O]-Functionalized Pentamethylruthenocenes |
Authors of publication | Enk, Barbara; Kopacka, Holger; Wurst, Klaus; Müller, Thomas; Bildstein, Benno |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 18 |
Pages of publication | 5575 |
a | 15.3144 ± 0.0003 Å |
b | 14.2173 ± 0.0002 Å |
c | 12.2837 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2674.52 ± 0.08 Å3 |
Cell temperature | 233 ± 2 K |
Ambient diffraction temperature | 233 ± 2 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.029 |
Weighted residual factors for significantly intense reflections | 0.0678 |
Weighted residual factors for all reflections included in the refinement | 0.0692 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4069982.html
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