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Information card for entry 4078423
Preview
Coordinates | 4078423.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H37 B Cl2 F4 O4 W |
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Calculated formula | C45 H37 B Cl2 F4 O4 W |
SMILES | [W]1234([c]5([c]1([c]4(Cc1ccccc1)[c]2([c]35Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(C#[O])(C#[O])(C#[O])C#[O].ClCCl.[B](F)(F)(F)[F-] |
Title of publication | Hydride Abstraction from [MCpBz(CO)3H] (M = Mo, W; CpBz= C5(CH2Ph)5): New Cationic Complexes Stabilized by η5:η2-C5H4:C6H5Bonding of the Pentabenzylcyclopentadienyl Ligand |
Authors of publication | Antunes, M. Augusta; Alves, Luis G.; Namorado, Sónia; Ascenso, José R.; Veiros, Luis F.; Martins, Ana M. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 12 |
Pages of publication | 4387 |
a | 9.8487 ± 0.0003 Å |
b | 10.2715 ± 0.0003 Å |
c | 19.808 ± 0.0006 Å |
α | 97.23 ± 0.003° |
β | 91.264 ± 0.002° |
γ | 95.034 ± 0.002° |
Cell volume | 1979.08 ± 0.1 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.032 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0592 |
Weighted residual factors for all reflections included in the refinement | 0.0606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
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/4078423.html
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Users of the data should acknowledge the original authors of the
structural data.