Information card for entry 4322833

Structure parameters

• Formula: C16 H19 O3 P Ru2
• Calculated formula: C16 H19 O3 P Ru2
• SMILES: [Ru]123456([Ru]789%10(C1=O)(C2=O)([cH]1[cH]%10[cH]9[cH]8[cH]71)C#[O])([P](C)(C)C)[cH]1[cH]3[cH]4[cH]5[cH]61
• Title of publication: Protonation of Metal-Metal Bonds in Cp~2~Ru~2~(Co)~3~(PR~3~) and Cp~2~Mo~2~(CO)~4~(PR~3~)~2~
• Authors of publication: Chip Nataro; Robert J. Angelici
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 2975 - 2983
• a: 7.997 ± 0.005 Å
• b: 14.401 ± 0.01 Å
• c: 15.46 ± 0.012 Å
• α: 90°
• β: 101.18 ± 0.06°
• γ: 90°
• Cell volume: 1747 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1956
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections: 0.1181
• Weighted residual factors for significantly intense reflections: 0.0914
• Goodness-of-fit parameter for all reflections: 0.692
• Goodness-of-fit parameter for significantly intense reflections: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No