Information card for entry 4319572

Structure parameters

• Chemical name: (mu-hapto4-methoxyboranyl)(mu-hapto4-pentahydrodiboranyl)(mu-dimethoxyphosphido) bis(pentamethylcyclopentadienylruthenium) ?
• Formula: C23 H44 B3 O3 P Ru2
• Calculated formula: C23 H44 B3 O3 P Ru2
• SMILES: [Ru]12345678([Ru]9%10%11%12%13%14([P]1(OC)OC)([c]1([c]9([c]%10([c]%12([c]%111C)C)C)C)C)[B]16(OC)[BH]67([BH]%131([H]%14)[H]6)[H]8)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: Synthesis of nido-[1-OMe-2,3-(Cp*Ru)2{μ-P(OMe)2}B3H5]: Methoxy Transfer from Phosphorus to Boron and Cluster Core Rearrangement
• Authors of publication: Lourdes N. Pangan; Yasuro Kawano; Mamoru Shimoi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1985 - 1986
• a: 28.212 ± 0.003 Å
• b: 15.0577 ± 0.001 Å
• c: 15.7 ± 0.002 Å
• α: 90°
• β: 123.255 ± 0.009°
• γ: 90°
• Cell volume: 5577.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.1028
• Goodness-of-fit parameter for all reflections: 0.271
• Goodness-of-fit parameter for significantly intense reflections: 0.268
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No