Information card for entry 4330643

Structure parameters

• Formula: C40 H36 Cu F6 N4 P
• Calculated formula: C40 H36 Cu F3 N4 P0.5
• Title of publication: Implications of Stoichiometry-Controlled Structural Changeover Between Heteroleptic Trigonal [Cu(phenAr2)(py)]+ and Tetragonal [Cu(phenAr2)(py)2]+ Motifs for Solution and Solid-State Supramolecular Self-Assembly
• Authors of publication: Subhadip Neogi; Gregor Schnakenburg; Yvonne Lorenz; Marianne Engeser; Michael Schmittel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10832 - 10841
• a: 14.5479 ± 0.0007 Å
• b: 36.7355 ± 0.0017 Å
• c: 16.9674 ± 0.0008 Å
• α: 90°
• β: 95.547 ± 0.001°
• γ: 90°
• Cell volume: 9025.3 ± 0.7 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2568
• Residual factor for significantly intense reflections: 0.1281
• Weighted residual factors for significantly intense reflections: 0.2833
• Weighted residual factors for all reflections included in the refinement: 0.3082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No