Information card for entry 7243711

Structure parameters

• Common name: 1,10-phenanthrolinium pamoate DMSO solvate
• Formula: C37 H30 N2 O7 S
• Calculated formula: C37 H30 N2 O7 S
• Title of publication: Selectivity of hosts for guests by liquid-assisted grinding: differences between solution and mechanochemistry
• Authors of publication: Lombard, Jean; Laker, Heinrich; Prins, Francis; Wahl, Helene; le Roex, Tanya; Haynes, Delia A.
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 42
• Pages of publication: 7380 - 7384
• a: 10.554 ± 0.0002 Å
• b: 11.3682 ± 0.0002 Å
• c: 13.7388 ± 0.0002 Å
• α: 84.165 ± 0.001°
• β: 74.55 ± 0.001°
• γ: 72.852 ± 0.001°
• Cell volume: 1517.71 ± 0.05 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: 0.0692
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No