Information card for entry 4075627

Structure parameters

• Formula: C49 H44 B9 N O6 P2 Re Rh
• Calculated formula: C49 H44 B9 N O6 P2 Re Rh
• SMILES: [Rh]123456([C]78([BH]9%102[BH]2%115[B]5%121([H][Re]6%12(C#[O])(C#[O])(C#[O])C#[O])[BH]164[BH]437[BH]389[BH]764[BH]251[BH]%10%1137)c1ccccc1)(C#[O])C#[O].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](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: 10.295 ± 0.002 Å
• b: 28.103 ± 0.005 Å
• c: 17.398 ± 0.004 Å
• α: 90°
• β: 99.739 ± 0.008°
• γ: 90°
• Cell volume: 4961.1 ± 1.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No