Information card for entry 7132308

Structure parameters

• Formula: C67.57 H64.57 B Cu N2 O2 P2
• Calculated formula: C67.575 H64.575 B Cu N2 O2 P2
• Title of publication: Trapping of soluble, KCl-stabilized Cu(I) hydrides with CO₂ gives crystalline formates.
• Authors of publication: Grasruck, Alexander; Parla, Giorgio; Lou, Lisha; Langer, Jens; Neiß, Christian; Herrera, Alberto; Frieß, Sybille; Görling, Andreas; Schmid, Günter; Dorta, Romano
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 14.3056 ± 0.0002 Å
• b: 22.4286 ± 0.0003 Å
• c: 28.019 ± 0.0003 Å
• α: 76.275 ± 0.001°
• β: 78.63 ± 0.001°
• γ: 78.947 ± 0.001°
• Cell volume: 8462.19 ± 0.19 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0604
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No