Information card for entry 7204295

Structure parameters

• Common name: (phenazine)(H2TCNDQ)
• Formula: C30 H18 N6
• Calculated formula: C30 H18 N6
• SMILES: c1cc2nc3c(cccc3)nc2cc1.C(#N)C(C#N)c1ccc(c2ccc(C(C#N)C#N)cc2)cc1
• Title of publication: Charge transfer, proton transfer and clathrate compounds of dihydrotetracyanodiphenoquinodimethane (H2TCNDQ) having highly acidic protonsElectronic supplementary information (ESI) available: elemental analysis results for H2TCNDQ complexes. See http://www.rsc.org/suppdata/jm/b1/b109503j/
• Authors of publication: Nishimura, Kazukuni; Khasanov, Salavat S.; Saito, Gunzi
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2002
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 1693
• a: 7.073 ± 0.0012 Å
• b: 7.338 ± 0.0009 Å
• c: 12.674 ± 0.003 Å
• α: 74.474 ± 0.011°
• β: 89.585 ± 0.01°
• γ: 65.92 ± 0.01°
• Cell volume: 574.74 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.125
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No