Information card for entry 7247360

Structure parameters

• Formula: C10 H13 Cd N O5
• Calculated formula: C10 H13 Cd N O5
• Title of publication: Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects
• Authors of publication: Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 38
• Pages of publication: 5428 - 5435
• a: 9.3792 ± 0.0004 Å
• b: 9.3792 ± 0.0004 Å
• c: 22.4879 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1713.21 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No