Information card for entry 2237286

Structure parameters

• Chemical name: 2-Methyl-4-(4-methylpiperazin-4-ium-1-yl)-10<i>H</i>- thieno[2,3-<i>b</i>][1,5]benzodiazepinium bis(2,4,6-trinitrophenolate)
• Formula: C29 H26 N10 O14 S
• Calculated formula: C29 H26 N10 O14 S
• Title of publication: Olanzapinium dipicrate
• Authors of publication: Kavitha, C. N.; Jasinski, Jerry P.; Keeley, Amanda C.; Yathirajan, H. S.; Dayananda, A. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o232 - o233
• a: 22.166 ± 0.0004 Å
• b: 12.7349 ± 0.0002 Å
• c: 23.3951 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6604.01 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes