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Information card for entry 4082662
Preview
Coordinates | 4082662.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 10095a |
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Formula | C56 H63 B Mo N2 O4 P2 |
Calculated formula | C56 H63 B Mo N2 O4 P2 |
SMILES | [Mo]1(C#[O])(C#[O])(C#[O])([N]#CCC)[P](C[B](C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[N+]12(CCCC1)CCCC2.O1CCCC1 |
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 | 12.3319 ± 0.0012 Å |
b | 20.3638 ± 0.0019 Å |
c | 20.1671 ± 0.0019 Å |
α | 90° |
β | 96.349 ± 0.001° |
γ | 90° |
Cell volume | 5033.4 ± 0.8 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0584 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0764 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
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/4082662.html
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