Information card for entry 7700529

Structure parameters

• Common name: 2a in manuscript
• Formula: C38 H13 B F15 O P S
• Calculated formula: C38 H13 B F15 O P S
• 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: 10.0001 ± 0.0003 Å
• b: 29.9868 ± 0.0008 Å
• c: 10.9105 ± 0.0003 Å
• α: 90°
• β: 96.102 ± 0.003°
• γ: 90°
• Cell volume: 3253.21 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No