Information card for entry 7014263

Structure parameters

• Formula: C20 H16 Cl Mo2 O4 P
• Calculated formula: C20 H16 Cl Mo2 O4 P
• SMILES: [Mo]1234([PH]([Mo]5678(C#[O])([cH]9[cH]7[cH]5[cH]8[cH]69)C#[O])c5ccccc5)(Cl)(C#[O])([cH]5[cH]2[cH]1[cH]3[cH]45)C#[O]
• 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: 8.635 ± 0.0001 Å
• b: 9.8969 ± 0.0001 Å
• c: 13.7036 ± 0.0001 Å
• α: 104.295 ± 0.001°
• β: 102.891 ± 0.001°
• γ: 106.691 ± 0.001°
• Cell volume: 1031.06 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54183 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No