Information card for entry 7228254

Structure parameters

• Formula: C54 H44 Br4 N6 O3 Zn2
• Calculated formula: C54 H44 Br4 N6 O3 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: 35.9593 ± 0.0006 Å
• b: 35.9593 ± 0.0006 Å
• c: 25.1227 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28133.2 ± 0.7 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1242
• Residual factor for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9393
• Diffraction radiation wavelength: 1.34143 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No