Information card for entry 4333206

Structure parameters

• Formula: C7 H19 B11 Br6 Cl6 N3 P3
• Calculated formula: C7 H19 B11 Br6 Cl6 N3 P3
• SMILES: C[N+]1=P(N=P(N=P1(Cl)Cl)(Cl)Cl)(Cl)Cl.[B]1234([B]567([B]89%10([B]%11%12%13([B]%141([B]1%15%12([B]%129%11([B]968([B]625([B]3%141([B]%15%1296Br)Br)Br)Br)Br)Br)([CH]47%10%13)C)C)C)C)C
• 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: 10.0373 ± 0.0007 Å
• b: 12.0983 ± 0.0008 Å
• c: 14.3169 ± 0.001 Å
• α: 90°
• β: 109.168 ± 0.004°
• γ: 90°
• Cell volume: 1642.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No