Information card for entry 2229212

Structure parameters

• Chemical name: Bis(1,10-phenanthrolin-1-ium) 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate hexahydrate
• Formula: C38 H36 N4 O14 S2
• Calculated formula: C38 H36 N4 O14 S2
• Title of publication: Bis(1,10-phenanthrolin-1-ium) 9,10-dioxo-9,10-dihydroanthracene-1,5-disulfonate hexahydrate
• Authors of publication: Jia, Jia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o250
• a: 10.0439 ± 0.0006 Å
• b: 10.1978 ± 0.0006 Å
• c: 11.107 ± 0.0006 Å
• α: 111.591 ± 0.001°
• β: 98.848 ± 0.001°
• γ: 111.234 ± 0.001°
• Cell volume: 930.34 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0557
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes