Information card for entry 7208994

Structure parameters

• Common name: 1,3-bis-cyanoxime(benzene), DMF solvate
• Chemical name: 1,3-bis-cyanoxime(benzene), DMF solvate
• Formula: C13 H13 N5 O3
• Calculated formula: C13 H13 N5 O3
• Title of publication: Synthesis, spectroscopic and structural characterization of the first phenyl bis-cyanoximes: non-chelating extended ionisable building block ligands for new MOFs
• Authors of publication: Curtis, Scott; Ilkun, Olesya; Brown, Amy; Silchenko, Svitlana; Gerasimchuk, Nikolay
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 152
• a: 7.9182 ± 0.001 Å
• b: 13.0263 ± 0.0016 Å
• c: 13.5001 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1392.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0835
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.1991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No