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Information card for entry 4070494
Preview
Coordinates | 4070494.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C30 H32 B Mo N6 O2 P |
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Calculated formula | C30 H32 B Mo N6 O2 P |
SMILES | [Mo]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(C)cc1C)(C#[O])(C#[O])#CP(c1ccccc1)c1ccccc1 |
Title of publication | Phosphino and Phosphonito Carbyne Complexes: [Mo(\τb CX)(CO)2{HB(pzMe2)3}] (X = PPh2, P(═O)(OEt)2; pz = Pyrazol-1-yl) |
Authors of publication | Cordiner, Richard L.; Gugger, Paul A.; Hill, Anthony F.; Willis, Anthony C. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 23 |
Pages of publication | 6632 |
a | 8.1834 ± 0.0001 Å |
b | 10.1992 ± 0.0002 Å |
c | 18.8867 ± 0.0004 Å |
α | 76.1021 ± 0.0008° |
β | 87.037 ± 0.0012° |
γ | 81.267 ± 0.0011° |
Cell volume | 1512.28 ± 0.05 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0364 |
Residual factor for significantly intense reflections | 0.0305 |
Weighted residual factors for all reflections | 0.0836 |
Weighted residual factors for significantly intense reflections | 0.0815 |
Weighted residual factors for all reflections included in the refinement | 0.0836 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9754 |
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/4070494.html
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