Information card for entry 7022204

Structure parameters

• Formula: C34 H22 N8
• Calculated formula: C34 H22 N8
• SMILES: n1c(c2nc(c3ncccc3)ccc2)cccc1c1nccnc1c1nc(c2nc(c3ncccc3)ccc2)ccc1
• Title of publication: Self-assembly of transition metal ion complexes of a hybrid pyrazine-terpyridine ligand.
• Authors of publication: Stefankiewicz, Artur R.; Wałęsa-Chorab, Monika; Harrowfield, Jack; Kubicki, Maciej; Hnatejko, Zbigniew; Korabik, Maria; Patroniak, Violetta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 5
• Pages of publication: 1743 - 1751
• a: 9.493 ± 0.0002 Å
• b: 20.504 ± 0.0005 Å
• c: 14.201 ± 0.0004 Å
• α: 90°
• β: 104.98 ± 0.0011°
• γ: 90°
• Cell volume: 2670.21 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.1311
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No