Information card for entry 7231381

Structure parameters

• Chemical name: Henicosa-[μ~3~-oxido]-nonadeca-[μ~3~-hydroxido]-octa-[μ-hydroxido]-tetraicosa-[μ-formiato-κ^2^O1:O2]-tetra-[formiato-κ^2^O1:O2]-hepta-[formiato-κO]-pentaaqua-hexaicosazirconium(IV) penta-formic acid solvate pentadecahydrate
• Formula: C40 H82 O133 Zr26
• Calculated formula: C40 H40 O133 Zr26
• Title of publication: More versatility than thought: large {Zr26} oxocarboxylate cluster by corner-sharing of standard octahedral subunits
• Authors of publication: Nateghi, Bahareh; Boldog, Ishtvan; Domasevitch, Konstiantyn V.; Janiak, Christoph
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5132
• a: 11.4132 ± 0.0008 Å
• b: 18.7392 ± 0.0012 Å
• c: 19.1989 ± 0.0011 Å
• α: 71.434 ± 0.005°
• β: 73.347 ± 0.005°
• γ: 81.818 ± 0.005°
• Cell volume: 3723.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No