Information card for entry 7132309

Structure parameters

• Formula: C40.89 H48.89 Cl0.11 Cu N2 O1.78 P2
• Calculated formula: C40.891 H48.891 Cl0.109 Cu N2 O1.782 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: 10.29438 ± 0.00006 Å
• b: 15.4304 ± 0.00008 Å
• c: 23.74742 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3772.19 ± 0.03 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No