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Information card for entry 7014260
Preview
Coordinates | 7014260.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H23 Mo2 O4 P |
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Calculated formula | C23 H23 Mo2 O4 P |
SMILES | [Mo]12345([H][Mo]6789([PH]1c1c(cc(cc1C)C)C)(C#[O])(C#[O])[cH]1[cH]6[cH]9[cH]8[cH]71)(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51 |
Title of publication | Proton induced P-H and Mo-H bond activation at the phosphide bridged dimolybdenum complexes [Mo2Cp2(mu-H)(mu-PHR)(CO)4](R = Cy, 2,4,6-C6H2R'3; R'= H, Me, tBu). |
Authors of publication | Alvarez, Celedonio M.; Alvarez, M. Angeles; García-Vivó, Daniel; García, M Esther; Ruiz, Miguel A.; Saáez, David; Falvello, Larry R.; Soler, Tatiana; Herson, Patrick |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2004 |
Journal issue | 24 |
Pages of publication | 4168 - 4179 |
a | 33.8525 ± 0.0004 Å |
b | 8.5459 ± 0.0001 Å |
c | 16.3577 ± 0.0002 Å |
α | 90° |
β | 110.995 ± 0.001° |
γ | 90° |
Cell volume | 4418.12 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.025 |
Residual factor for significantly intense reflections | 0.0238 |
Weighted residual factors for significantly intense reflections | 0.0598 |
Weighted residual factors for all reflections included in the refinement | 0.0606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54182 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
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