Information card for entry 7132277

Structure parameters

• Common name: sql-(1,3-bib)(ndc)-Ni-beta
• Formula: C30 H25.5 N6 Ni O6
• Calculated formula: C30 H25.5 N6 Ni O6
• Title of publication: Water vapour induced structural flexibility in a square lattice coordination network
• Authors of publication: Zaworotko, Michael; Koupepidou, Kyriaki; Bezrukov, Andrey A.; Castell, Dominic C.; Sensharma, Debobroto; Mukherjee, Soumya
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 21.9277 ± 0.0015 Å
• b: 13.381 ± 0.0009 Å
• c: 19.9622 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5857.2 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No