Information card for entry 7234201

Structure parameters

• Common name: (5-(rac-4-[2.2]paracyclophanyl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II)
• Chemical name: (5-(4-(1,4(1,4)-dibenzenacyclohexaphane-1^2^-yl)phenyl)-10,15,20-triphenylporphyrinato)-copper(II)
• Formula: C60 H42 Cu N4
• Calculated formula: C60 H42 Cu N4
• Title of publication: Synthesis and characterization of rigid [2.2]paracyclophane‒porphyrin conjugates as scaffolds for fixed-distance bimetallic complexes
• Authors of publication: Knoll, Daniel M.; Wiesner, Thomas B.; Marschner, Stefan M.; Hassan, Zahid; Weis, Patrick; Kappes, Manfred; Nieger, Martin; Bräse, Stefan
• Journal of publication: RSC Advances
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 52
• Pages of publication: 30541
• a: 18.4877 ± 0.0004 Å
• b: 12.195 ± 0.0003 Å
• c: 18.7238 ± 0.0005 Å
• α: 90°
• β: 91.773 ± 0.002°
• γ: 90°
• Cell volume: 4219.4 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No