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Information card for entry 4082661
Preview
Coordinates | 4082661.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 10121a |
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Formula | C51 H53 B Cr N2 O3 P2 |
Calculated formula | C51 H53 B Cr N2 O3 P2 |
SMILES | [Cr]1(C#[O])(C#[O])(C#[O])([N]#CC)[P](C[B](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[N+]12(CCCC1)CCCC2 |
Title of publication | Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses |
Authors of publication | Fischer, Paul J.; Avena, Laura; Bohrmann, Trent D.; Neary, Michelle C.; Putka, Grace K.; Sullivan, Kevin P. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 5 |
Pages of publication | 1300 |
a | 11.455 ± 0.0015 Å |
b | 13.2465 ± 0.0017 Å |
c | 28.865 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4379.9 ± 1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0475 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0982 |
Weighted residual factors for all reflections included in the refinement | 0.1038 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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