Information card for entry 7112249

Structure parameters

• Common name: (Pyr)3P=N-P(Pyr)2Br2 (1)
• Chemical name: [tris(pyrrolidinyl)phosphazenyl]bis(pyrrolidinyl)bromophosphonium bromide
• Formula: C10 H30 Br2 N6 P2
• Calculated formula: C10 H30 Br2 N6 P2
• SMILES: BrP(=N[P+](N(C)C)(N(C)C)N(C)C)(N(C)C)N(C)C.[Br-]
• Title of publication: Two C2-symmetric chelating P2-bisphosphazene superbases connected via a binaphthyl backbone - synthesis, structural features and preparation of a cationic alkyl aluminum complex
• Authors of publication: Julius F. Kogel; Nis-Julian Kneusels; Jorg Sundermeyer
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 4319
• a: 8.1153 ± 0.0005 Å
• b: 9.5111 ± 0.0006 Å
• c: 13.1754 ± 0.0009 Å
• α: 108.141 ± 0.005°
• β: 92.459 ± 0.005°
• γ: 94.663 ± 0.005°
• Cell volume: 960.7 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No