Information card for entry 7250200

Structure parameters

• Formula: C30 H59 Ni3 O41.5 Rb6
• Calculated formula: C30 H52 Ni3 O38 Rb6
• 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: 10.5074 ± 0.0011 Å
• b: 12.4178 ± 0.0013 Å
• c: 12.4907 ± 0.0013 Å
• α: 78.142 ± 0.002°
• β: 66.982 ± 0.002°
• γ: 78.702 ± 0.002°
• Cell volume: 1455.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 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: 0.028
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No