Information card for entry 4504976

Structure parameters

• Common name: 4,4'-Dichloroazoxyfurazan
• Chemical name: 3-chloro-4-[(E)-(4-chloro-1,2,5-oxadiazol-3-yl)diazenyl]-1,2,5-oxadiazole
• Formula: C4 Cl2 N6 O3
• Calculated formula: C4 Cl2 N6 O3
• Title of publication: Computer Simulation of Crystal Structure for Three Furazan Derivatives
• Authors of publication: Averkiev, Boris B.; Antipin, Mikhail Yu.; Sheremetev, Aleksey B.; Timofeeva, Tatiana V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 2
• Pages of publication: 631
• a: 6.977 ± 0.0014 Å
• b: 6.154 ± 0.0012 Å
• c: 10.515 ± 0.002 Å
• α: 90°
• β: 108.49 ± 0.03°
• γ: 90°
• Cell volume: 428.17 ± 0.16 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No