Information card for entry 7250203

Structure parameters

• Formula: C30 H60 K6 Ni3 O42
• Calculated formula: C30 H60 K6 Ni3 O42
• Title of publication: The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates
• Authors of publication: Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 3352 - 3361
• a: 10.2896 ± 0.0018 Å
• b: 12.302 ± 0.002 Å
• c: 12.719 ± 0.002 Å
• α: 75.425 ± 0.003°
• β: 66.665 ± 0.002°
• γ: 78.791 ± 0.003°
• Cell volume: 1422.6 ± 0.4 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0568
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No