Information card for entry 7702937

Structure parameters

• Formula: C36 H28 Cl2 Cu N6 O8
• Calculated formula: C36 H28 Cl2 Cu N6 O8
• Title of publication: Copper-based redox shuttles supported by preorganized tetradentate ligands for dye-sensitized solar cells.
• Authors of publication: Rodrigues, Roberta R.; Lee, Joseph M.; Taylor, Natalie S.; Cheema, Hammad; Chen, Lizhu; Fortenberry, Ryan C.; Delcamp, Jared H.; Jurss, Jonah W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 343 - 355
• a: 9.1754 ± 0.0005 Å
• b: 13.2338 ± 0.0014 Å
• c: 14.3608 ± 0.0014 Å
• α: 91.0207 ± 0.0017°
• β: 91.024 ± 0.002°
• γ: 91.5876 ± 0.0016°
• Cell volume: 1742.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No