Information card for entry 4335181

Structure parameters

• Formula: C79 H65 Cl9 N4
• Calculated formula: C79 H65 Cl9 N4
• Title of publication: Heteroleptic Metallosupramolecular Racks, Rectangles, and Trigonal Prisms: Stoichiometry-Controlled Reversible Interconversion
• Authors of publication: Subhadip Neogi; Yvonne Lorenz; Marianne Engeser; Debabrata Samanta; Michael Schmittel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6975 - 6984
• a: 9.9018 ± 0.0018 Å
• b: 12.84 ± 0.003 Å
• c: 14.826 ± 0.002 Å
• α: 88.127 ± 0.014°
• β: 70.545 ± 0.012°
• γ: 78.295 ± 0.011°
• Cell volume: 1739.1 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2071
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No