Information card for entry 4333205

Structure parameters

• Formula: C H7 B11 Br6 Cl6 N3 P3
• Calculated formula: C H7 B11 Br6 Cl6 N3 P3
• SMILES: [CH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[B]456([B]678([B]791([B]1%102([B]%1134([B]5671Br)Br)Br)Br)Br)Br.[NH+]1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl
• Title of publication: Phosphazene Cations
• Authors of publication: Zhang, Yun; Tham, Fook S.; Reed, Christopher A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10446 - 10448
• a: 9.082 ± 0.0003 Å
• b: 23.2731 ± 0.0007 Å
• c: 12.6536 ± 0.0004 Å
• α: 90°
• β: 96.168 ± 0.001°
• γ: 90°
• Cell volume: 2659.06 ± 0.15 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No