Information card for entry 4515368

Structure parameters

• Formula: C48 H54 Cd2 Cl N7 O28
• Calculated formula: C48 H40 Cd2 Cl N6 O18
• Title of publication: Differentiable Detection of Volatile Amines with a Viologen-Derived Metal-Organic Material.
• Authors of publication: Sui, Qi; Li, Peng; Yang, Ning-Ning; Gong, Teng; Bu, Ran; Gao, En-Qing
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2018
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 11056 - 11062
• a: 9.7499 ± 0.0002 Å
• b: 18.3486 ± 0.0004 Å
• c: 16.6672 ± 0.0004 Å
• α: 90°
• β: 101.353 ± 0.001°
• γ: 90°
• Cell volume: 2923.37 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No