Information card for entry 7203229

Structure parameters

• Chemical name: 2,7-Dimethoxy-5,10-bis(p-anisyl)-5,10-dihydrophenazine tricyanomethanide
• Formula: C32 H26 N5 O4
• Calculated formula: C32 H26 N5 O4
• SMILES: c1(OC)cc2c(cc1)[n+](c1cc(ccc1[n+]2c1ccc(OC)cc1)OC)c1ccc(OC)cc1.N#C[C-](C#N)C#N
• Title of publication: A molecular salt of tricyanomethanide anion and a N,N′-dianisylphenazinium dication: cooperative affects of methoxy⋯methoxy and CN⋯N+ intermolecular contacts
• Authors of publication: McKay, Scott E.; Wheeler, Kraig A.; Blackstock, Silas C.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 129
• a: 16.4791 ± 0.0009 Å
• b: 21.8079 ± 0.0012 Å
• c: 7.8598 ± 0.0004 Å
• α: 90°
• β: 104.85 ± 0.03°
• γ: 90°
• Cell volume: 2730.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No