Information card for entry 4075203

Structure parameters

• Formula: C42 H38 B7 Co2 N O5 P2
• Calculated formula: C42 H38 B7 Co2 N O5 P2
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]981[Co]1857([BH]623[Co]491(C#[O])(C#[O])C8=O)(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers
• Authors of publication: Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2590
• a: 11.5563 ± 0.0006 Å
• b: 12.7164 ± 0.0007 Å
• c: 15.1804 ± 0.0009 Å
• α: 109.367 ± 0.003°
• β: 90.463 ± 0.003°
• γ: 97.224 ± 0.003°
• Cell volume: 2084.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No