Information card for entry 7132279

Structure parameters

• Common name: sql-(1,3-bib)(ndc)-Ni-alpha_prime
• Formula: C30 H26.76 N6 Ni O8.76
• Calculated formula: C30 H27.02 N6 Ni O8.76
• 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: 21.9932 ± 0.0012 Å
• b: 14.6091 ± 0.0008 Å
• c: 19.5808 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6291.3 ± 0.6 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: 0.097
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No