Information card for entry 7204088

Structure parameters

• Formula: C10 H8 N4 O2
• Calculated formula: C10 H8 N4 O2
• SMILES: C1(=CC(C(=CC1=NC#N)OC)=NC#N)OC
• Title of publication: Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)
• Authors of publication: Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2001
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2152
• a: 4.716 ± 0.002 Å
• b: 16.583 ± 0.002 Å
• c: 6.709 ± 0.002 Å
• α: 90°
• β: 104.84 ± 0.02°
• γ: 90°
• Cell volume: 507.2 ± 0.3 ų
• Cell temperature: 223.7 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0782
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No