Information card for entry 7212406

Structure parameters

• Formula: C27 H28 I4 N4 Zn
• Calculated formula: C27 H28 I4 N4 Zn
• SMILES: [Zn](I)(I)([I-])[I-].[n+]1(CC)ccc(cc1)c1nc(cc(c1)c1ccccc1)c1cc[n+](cc1)CC.C(#N)C
• Title of publication: Assembling and dissembling zinc-containing coordination polymers of 4′-phenyl-4,2′:6′,4″-terpyridine
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2146
• a: 7.9794 ± 0.0005 Å
• b: 16.857 ± 0.0013 Å
• c: 23.6586 ± 0.0015 Å
• α: 90°
• β: 95.413 ± 0.005°
• γ: 90°
• Cell volume: 3168.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No