Information card for entry 7204291

Structure parameters

• Common name: (EOET)(H2TCNDQ)
• Formula: C28 H18 N4 O2 S6
• Calculated formula: C28 H18 N4 O2 S6
• 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: 5.485 ± 0.0005 Å
• b: 9.056 ± 0.001 Å
• c: 14.437 ± 0.0016 Å
• α: 80.614 ± 0.006°
• β: 87.995 ± 0.006°
• γ: 84.202 ± 0.006°
• Cell volume: 703.77 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No