Information card for entry 7707081

Structure parameters

• Formula: C39 H25 B F15 N2 P2
• Calculated formula: C39 H25 B F15 N2 P2
• Title of publication: Interaction of dicoordinate phosphorus with boranes: chemistry of 3a,6a-diaza-1,4-diphosphapentalene as masked phosphinidene.
• Authors of publication: Panova, Yulia; Khristolyubova, Alexandra; Zolotareva, Natalia; Sushev, Vyacheslav; Galperin, Vadim; Rumyantcev, Roman; Fukin, Georgy; Kornev, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5890 - 5898
• a: 9.8192 ± 0.0004 Å
• b: 13.9606 ± 0.0006 Å
• c: 26.3145 ± 0.001 Å
• α: 90°
• β: 95.7722 ± 0.0016°
• γ: 90°
• Cell volume: 3589 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No