Information card for entry 4087459

Structure parameters

• Formula: C35 H38 B7 Co P2
• Calculated formula: C35 H38 B7 Co P2
• SMILES: [Co]123456([C]78([CH]9%102[BH]2%115[CH]51[BH]1%124[BH]437[BH]389[BH]7%10%11[BH]251[BH]%12437)c1ccccc1)[P](CC[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Syntheses, Structural Characterizations, and Reactivity Studies of Half-Sandwich Cobalt, Rhodium, and Iridium Metallatricarbadecaboranyl Complexes
• Authors of publication: Berkeley, Emily R.; Perez-Gavilan, Ariane; Carroll, Patrick J.; Sneddon, Larry G.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1396
• a: 11.5192 ± 0.0006 Å
• b: 17.6108 ± 0.0008 Å
• c: 16.6383 ± 0.001 Å
• α: 90°
• β: 102.849 ± 0.003°
• γ: 90°
• Cell volume: 3290.8 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No