Information card for entry 7231399

Structure parameters

• Formula: C47.1 H32.9 N6.7 Ni O6.7
• Calculated formula: C45 H28 N6 Ni O6
• 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: 34.7205 ± 0.0018 Å
• b: 17.3089 ± 0.0006 Å
• c: 15.8202 ± 0.0007 Å
• α: 90°
• β: 115.923 ± 0.002°
• γ: 90°
• Cell volume: 8550.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.2742
• Weighted residual factors for all reflections included in the refinement: 0.3409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No