Information card for entry 1567144

Structure parameters

• Chemical name: Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate
• Formula: C32 H72 Cl12 I2 Nb6 O12
• Calculated formula: C32 H72 Cl12 I2 Nb6 O12
• Title of publication: Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate
• Authors of publication: Schröder, Florian; Köckerling, Martin
• Journal of publication: IUCrData
• Year of publication: 2022
• Journal volume: 7
• Journal issue: 6
• Pages of publication: x220618
• a: 19.3389 ± 0.0007 Å
• b: 18.1968 ± 0.0007 Å
• c: 34.039 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11978.5 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes