Information card for entry 7027156

Structure parameters

• Common name: 2,5-Bis(1-phenylimonoethyl)pyrazine
• Chemical name: 2,5-Bis(1-phenyliminoethyl)pyrazine
• Formula: C20 H18 N4
• Calculated formula: C20 H18 N4
• SMILES: c1ccccc1/N=C(c1ncc(/C(=N/c2ccccc2)C)nc1)\C
• Title of publication: 2,5-Bis(1-phenyliminoethyl)pyrazine (bpip): a conjugated metal–metal bridging acceptor ligand and its homodinuclear complexes with low-valent metal centres
• Authors of publication: Klein, Axel; Kasack, Volker; Reinhardt, Ralf; Sixt, Torsten; Scheiring, Thomas; Zalis, Stanislav; Fiedler, Jan; Kaim, Wolfgang
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 575
• a: 6.3013 ± 0.0004 Å
• b: 7.8308 ± 0.0007 Å
• c: 33.242 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1640.3 ± 0.2 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.1449
• Weighted residual factors for significantly intense reflections: 0.1201
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No