Information card for entry 7707080

Structure parameters

• Formula: C30.5 H19 B Cl F15 N2 O P2
• Calculated formula: C30.5 H19 B Cl F15 N2 O 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: 9.3112 ± 0.0004 Å
• b: 11.7738 ± 0.0005 Å
• c: 16.1431 ± 0.0006 Å
• α: 97.599 ± 0.001°
• β: 100.642 ± 0.001°
• γ: 110.419 ± 0.001°
• Cell volume: 1592.42 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No