Information card for entry 7102503

Structure parameters

• Formula: C40 H102 B2 Li2 N6 P2 Si2
• Calculated formula: C40 H102 B2 Li2 N6 P2 Si2
• SMILES: [BH3]P(=C(CCC(=P([BH3])(CCC)CCC)[Si](C)(C)C)[Si](C)(C)C)(CCC)CCC.[Li]12[N](C)(CC[N]1(C)CC[N]2(C)C)C.[Li]12[N](CC[N]1(C)C)(C)CC[N]2(C)C
• Title of publication: Synthesis and structural characterisation of a novel phosphine-borane-stabilised dicarbanion and an unusual bis(phosphine-borane).
• Authors of publication: Izod, Keith; McFarlane, William; Tyson, Brent V; Clegg, William; Harrington, Ross W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 5
• Pages of publication: 570 - 571
• a: 11.6349 ± 0.0006 Å
• b: 19.2561 ± 0.0009 Å
• c: 12.5695 ± 0.0006 Å
• α: 90°
• β: 97.174 ± 0.001°
• γ: 90°
• Cell volume: 2794.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No