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Information card for entry 4069047
Preview
Coordinates | 4069047.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H46 B2 F24 Fe N2 O2 |
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Calculated formula | C57 H46 B2 F24 Fe N2 O2 |
SMILES | [Fe]1234(C#[O])(B([n]5ccc(cc5)C)N(C5CCCCC5)C5CCCCC5)(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.FC(F)(F)c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)C(F)(F)F |
Title of publication | Half-Sandwich Group 8 Borylene Complexes: Synthetic and Structural Studies and Oxygen Atom Abstraction Chemistry |
Authors of publication | Pierce, Glesni A.; Vidovic, Dragoslav; Kays, Deborah L.; Coombs, Natalie D.; Thompson, Amber L.; Jemmis, Eluvathingal D.; De, Susmita; Aldridge, Simon |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 10 |
Pages of publication | 2947 |
a | 12.512 ± 0.003 Å |
b | 14.644 ± 0.003 Å |
c | 16.427 ± 0.003 Å |
α | 88.47 ± 0.03° |
β | 81.94 ± 0.03° |
γ | 86.92 ± 0.03° |
Cell volume | 2975.3 ± 1.1 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 | 0.0799 |
Residual factor for significantly intense reflections | 0.0605 |
Weighted residual factors for significantly intense reflections | 0.143 |
Weighted residual factors for all reflections included in the refinement | 0.1539 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
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/4069047.html
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Users of the data should acknowledge the original authors of the
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