Information card for entry 7231400

Structure parameters

• Formula: C48 H35 Cd N7 O7
• Calculated formula: C48 H35 Cd N7 O7
• Title of publication: Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers
• Authors of publication: Sensharma, Debobroto; Wix, Paul; Kathalikkattil, Amal Cherian; Schmitt, Wolfgang
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5127
• a: 16.281 ± 0.003 Å
• b: 17.516 ± 0.003 Å
• c: 30.291 ± 0.004 Å
• α: 90°
• β: 100.546 ± 0.003°
• γ: 90°
• Cell volume: 8492 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1881
• Residual factor for significantly intense reflections: 0.1267
• Weighted residual factors for significantly intense reflections: 0.251
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No