Information card for entry 1558895

Structure parameters

• Formula: C87 H85 B Cr F24 N4 O3 P2
• Calculated formula: C87 H85 B Cr F24 N4 O3 P2
• Title of publication: Reversible Cooperative Dihydrogen Binding and Transfer with a Bis-Phosphenium Complex of Chromium
• Authors of publication: Birchall, Nicholas; Feil, Christoph M.; Gediga, Michael; Nieger, Martin; Gudat, Dietrich
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 12.5935 ± 0.0003 Å
• b: 16.7577 ± 0.0004 Å
• c: 21.329 ± 0.0005 Å
• α: 95.414 ± 0.001°
• β: 99.551 ± 0.001°
• γ: 92.236 ± 0.001°
• Cell volume: 4412.18 ± 0.18 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No