Information card for entry 7133335

Structure parameters

• Formula: C308 H280 B8 Cr8 N32 O39 P8
• Calculated formula: C308 H280 B8 Cr8 N32 O39 P8
• 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: 16.6054 ± 0.0001 Å
• b: 18.2464 ± 0.0002 Å
• c: 27.5141 ± 0.0002 Å
• α: 93.222 ± 0.001°
• β: 99.544 ± 0.001°
• γ: 113.692 ± 0.001°
• Cell volume: 7458.23 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No