Information card for entry 8107668

Structure parameters

• Chemical name: 3-((1<i>R</i>,2<i>S</i>)-1-methylpyrrolidin-1-ium-2-yl)pyridin-1-ium tetrachloridocobaltate(II) monohydrate
• Formula: C29 H34 N2 O13
• Calculated formula: C29 H34 N2 O13
• Title of publication: The crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino [3,2-a]isoquinolin-7-ium (E)-3-(4-nitrophenyl)acrylate pentahydrate, C29H34N2O13
• Authors of publication: Chen, Shi-Yun; Wang, Wei; He, Yong; Yin, Deng-ke
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1089 - 1091
• a: 8.1996 ± 0.0002 Å
• b: 13.1993 ± 0.0003 Å
• c: 13.5119 ± 0.0003 Å
• α: 94.208 ± 0.001°
• β: 99.787 ± 0.001°
• γ: 90.247 ± 0.001°
• Cell volume: 1437 ± 0.06 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No