Information card for entry 7111696

Structure parameters

• Formula: C21 H25 B10 N P
• Calculated formula: C21 H28 B10 N P
• SMILES: P(=N[C]1234[C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]2%105[BH]68([BH]91%112)[BH]734%10)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Stabilization of acyclic phosphazides using the ortho-closo-dicarbadodecaboranyl residue
• Authors of publication: Kennedy, Robert D.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 4782 - 4784
• a: 9.309 ± 0.002 Å
• b: 9.342 ± 0.002 Å
• c: 15.134 ± 0.005 Å
• α: 100.552 ± 0.004°
• β: 96.851 ± 0.004°
• γ: 108.414 ± 0.002°
• Cell volume: 1205.3 ± 0.5 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: 0.0381
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No