Information card for entry 7042731

Structure parameters

• Formula: C13 H23 Ca N O9
• Calculated formula: C13 H23 Ca N O9
• Title of publication: Bio-inspired synthetic approaches: From hierarchical, hybrid supramolecular assemblies to CaCO3-based microspheres
• Authors of publication: Schmitt, Wolfgang; Marzec, Bartosz; Zhang, Lei; Zhu, Nian Yong
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.2649 ± 0.001 Å
• b: 8.2062 ± 0.001 Å
• c: 33.649 ± 0.006 Å
• α: 96.66 ± 0.02°
• β: 94.77 ± 0.02°
• γ: 92.07 ± 0.02°
• Cell volume: 1710.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1191
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No