Information card for entry 7245137

Structure parameters

• Chemical name: 4',4'''-(1-hydroxy-3-oxoprop-1-ene-1,3-diyl)bis([1,1'-biphenyl]-4-carbonitrile)
• Formula: C29 H18 N2 O2
• Calculated formula: C29 H18 N2 O2
• Title of publication: Design and synthesis of new luminescent coordination networks of sql topology showing the highest degrees of interpenetration
• Authors of publication: Blasi, Delia; Quici, Silvio; Orlandi, Simonetta; Mercandelli, Pierluigi; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Carlucci, Lucia
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.9515 ± 0.0004 Å
• b: 14.8622 ± 0.0005 Å
• c: 13.3026 ± 0.0005 Å
• α: 90°
• β: 112.244 ± 0.001°
• γ: 90°
• Cell volume: 2187.04 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No