Information card for entry 2210556

Structure parameters

• Common name: Matrinium picrolonate 0.28-hydrate
• Chemical name: (7aS,13aR,13bR,13cS)-10-oxo-dodecahydro-1H,5H,8H-dipyrido[2,1-f:3',2',1'- ij][1,6]naphthyridinium 3-methyl-4-nitro-1-(4-nitrophenyl)-5-oxo-2-pyrazolinate 0.28-hydrate
• Formula: C25 H32.56 N6 O6.28
• Calculated formula: C25 H32.56 N6 O6.28
• Title of publication: Matrinium picrolonate 0.28-hydrate
• Authors of publication: Bing Tu; Zhan Su; Hui Min Zhang; Xing Jü Ma; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4270 - o4271
• a: 8.3939 ± 0.0007 Å
• b: 14.9227 ± 0.0013 Å
• c: 10.0939 ± 0.0009 Å
• α: 90°
• β: 92.166 ± 0.002°
• γ: 90°
• Cell volume: 1263.46 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No