Information card for entry 4320348

Structure parameters

• Formula: C46 H58 B6 O3 P2 Ru
• Calculated formula: C46 H58 B6 O3 P2 Ru
• SMILES: [RuH]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([P](c6ccccc6)(c6ccccc6)c6ccccc6)[CH]67[B]81(OC)[BH]192[BH]23([B]46(OC)[BH]7812)[B]59OC.CCCCCC
• Title of publication: The First 8-Vertex Monocarbon Metallacarborane with an "Isolated" Boron-Capped Pentagonal Bipyramidal Cage. Synthesis and Molecular Structure of Capped closo-2,2-(Ph3P)2-2-H-3,6,8-(MeO)3-RuCB6H4
• Authors of publication: Irina V. Pisareva; Fedor M. Dolgushin; Alexandr I. Yanovsky; Elena V. Balagurova; Pavel V. Petrovskii; Igor T. Chizhevsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5318 - 5319
• a: 12.823 ± 0.003 Å
• b: 13.125 ± 0.003 Å
• c: 14.688 ± 0.003 Å
• α: 86.34 ± 0.03°
• β: 84.17 ± 0.03°
• γ: 68.22 ± 0.03°
• Cell volume: 2282.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No