Information card for entry 4075625

Structure parameters

• Formula: C48 H44 B9 N O5 P2 Re Rh
• Calculated formula: C48 H44 B9 N O5 P2 Re Rh
• SMILES: [Rh]123456([C]78([BH]9%102[BH]2%115[B]5%12%131[H][Re]6%13([BH]1645[BH]437[BH]389[BH]154[BH]2%126[BH]%10%1135)(C#[O])(C#[O])C#[O])c1ccccc1)(C#[O])C#[O].P(=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§
• Authors of publication: McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 4444
• a: 10.2229 ± 0.0019 Å
• b: 14.716 ± 0.003 Å
• c: 17.344 ± 0.003 Å
• α: 105.489 ± 0.007°
• β: 102.955 ± 0.008°
• γ: 94.604 ± 0.008°
• Cell volume: 2423 ± 0.8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No