Information card for entry 7204292

Structure parameters

• Formula: C23 H13 N2 S4
• Calculated formula: C23 H13 N2 S4
• 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: 6.65 ± 0.004 Å
• b: 11.626 ± 0.002 Å
• c: 14.366 ± 0.003 Å
• α: 108.72 ± 0.01°
• β: 91.7 ± 0.03°
• γ: 105.8 ± 0.03°
• Cell volume: 1003.8 ± 0.7 ų
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.045
• Goodness-of-fit parameter for significantly intense reflections: 0.746
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoK-alpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No