Information card for entry 7700530

Structure parameters

• Common name: 2b in manuscript
• Formula: C39 H16 B F15 N O P
• Calculated formula: C39 H16 B F15 N O P
• Title of publication: Organophosphorus-B(C₆F₅)₃ adducts: towards new solid-state emitting materials.
• Authors of publication: Regulska, Elzbieta; Christ, Sonja; Zimmermann, Johannes; Rominger, Frank; Hernandez-Sosa, Gerardo; Romero-Nieto, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 12803 - 12807
• a: 9.9754 ± 0.0015 Å
• b: 30.114 ± 0.003 Å
• c: 10.9427 ± 0.0016 Å
• α: 90°
• β: 95.823 ± 0.012°
• γ: 90°
• Cell volume: 3270.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0906
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No