Information card for entry 7228255

Structure parameters

• Formula: C48 H48 Cl4 N6 O2 Zn2
• Calculated formula: C48 H48 Cl4 N6 O2 Zn2
• Title of publication: What a difference a tail makes: 2D→2D parallel interpenetration of sheets to interpenetrated nbo networks using ditopic-4,2':6',4''-terpyridine ligands
• Authors of publication: Housecroft, Catherine E.; Constable, Edwin C.; Klein, Maximilian; Neuburger, Markus; Prescimone, Alessandro
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 20.4985 ± 0.0009 Å
• b: 11.6491 ± 0.0003 Å
• c: 23.7457 ± 0.001 Å
• α: 90°
• β: 91.737 ± 0.004°
• γ: 90°
• Cell volume: 5667.6 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8726
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No