Information card for entry 7111694

Structure parameters

• Formula: C21 H28 B10 N3 P
• Calculated formula: C21 H28 B10 N3 P
• SMILES: [C]1234([C]567(C)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)N=NN=P(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: 8.761 ± 0.0012 Å
• b: 11.6685 ± 0.0016 Å
• c: 13.302 ± 0.0018 Å
• α: 65.759 ± 0.001°
• β: 88.741 ± 0.002°
• γ: 89.749 ± 0.002°
• Cell volume: 1239.6 ± 0.3 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: 0.0532
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No