Information card for entry 7133336

Structure parameters

• Formula: C104 H152 B4 Cr4 N16 Na4 O31
• Calculated formula: C104 H152 B4 Cr4 N16 Na4 O31
• Title of publication: The tetracyanoborate anion as a building block for the heterocubane cluster cage [Cr₄{B(CN)₄}₄]⁴.
• Authors of publication: Luff, Martin S.; Bertermann, Rüdiger; Finze, Maik; Radius, Udo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 65
• Pages of publication: 8621 - 8624
• a: 17.5473 ± 0.0002 Å
• b: 20.8549 ± 0.0002 Å
• c: 35.3881 ± 0.0003 Å
• α: 90°
• β: 102.2 ± 0.001°
• γ: 90°
• Cell volume: 12657.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2065
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No