Information card for entry 7214339

Structure parameters

• Formula: C52 H64 Cl4 N6 O6 Zn2
• Calculated formula: C52 H56 Cl4 N6 O6 Zn2
• Title of publication: 2D →2D Parallel interpenetration of (4,4) sheets constructed from a ditopic bis(4,2′:6′,4′′-terpyridine)
• Authors of publication: Constable, Edwin C.; Housecroft, Catherine E.; Vujovic, Srboljub; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 3494
• a: 20.6102 ± 0.0011 Å
• b: 11.5999 ± 0.0006 Å
• c: 23.8198 ± 0.0012 Å
• α: 90°
• β: 90.978 ± 0.003°
• γ: 90°
• Cell volume: 5693.9 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0616
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No