Information card for entry 7716888

Structure parameters

• Formula: C77.95 H101.89 Cl2 Cr2 N9.98 O9.98
• Calculated formula: C77.952 H101.888 Cl2 Cr2 N9.984 O9.984
• Title of publication: Pre-equilibrium reactions involving pendent relays improve CO₂ reduction mediated by molecular Cr-based electrocatalysts.
• Authors of publication: Moberg, Megan E.; Reid, Amelia G.; Dickie, Diane A.; Machan, Charles W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 41
• Pages of publication: 16849 - 16860
• a: 11.4779 ± 0.0005 Å
• b: 12.8869 ± 0.0007 Å
• c: 14.3534 ± 0.0008 Å
• α: 81.222 ± 0.004°
• β: 87.557 ± 0.004°
• γ: 67.474 ± 0.003°
• Cell volume: 1937.84 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2463
• Weighted residual factors for all reflections included in the refinement: 0.2707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No