Information card for entry 8103325

Structure parameters

• Formula: C20 H18 F12 N6 P2
• Calculated formula: C20 H18 F12 N6 P2
• Title of publication: Crystal structure of 3,3'-(1,10-phenanthroline-2,9-diyl)-bis(1-methyl-1H-imidazol-3-ium) bishexafluorophosphate, (C20H18N6)(PF6)2
• Authors of publication: Shaojin Gu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 143
• a: 8.694 ± 0.001 Å
• b: 10.978 ± 0.0012 Å
• c: 14.248 ± 0.016 Å
• α: 96.086 ± 0.001°
• β: 106.347 ± 0.002°
• γ: 99.085 ± 0.001°
• Cell volume: 1272.2 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1772
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No