Information card for entry 1558894

Structure parameters

• Formula: C112 H151 Cr2 N9 O6 P4
• Calculated formula: C112 H150 Cr2 N9 O6 P4
• 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: 25.6854 ± 0.001 Å
• b: 20.829 ± 0.0009 Å
• c: 40.6993 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 21774.2 ± 1.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.2201
• Residual factor for significantly intense reflections: 0.0827
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No