Information card for entry 7231091

Structure parameters

• Formula: C72 H55.5 N6 O10.75
• Calculated formula: C72 H55.5 N6 O10.75
• Title of publication: Organic co-crystals of 1,3-bis(4-pyridyl)azulene with a series of hydrogen-bond donors
• Authors of publication: Ion, Adrian E.; Dogaru, Andreea; Shova, Sergiu; Madalan, Augustin M.; Akintola, Oluseun; Ionescu, Sorana; Voicescu, Mariana; Nica, Simona; Buchholz, Axel; Plass, Winfried; Andruh, Marius
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 31
• Pages of publication: 4463
• a: 52.2362 ± 0.0018 Å
• b: 7.4175 ± 0.0003 Å
• c: 32.1601 ± 0.0012 Å
• α: 90°
• β: 104.831 ± 0.004°
• γ: 90°
• Cell volume: 12045.7 ± 0.8 ų
• Cell temperature: 200.05 ± 0.1 K
• Ambient diffraction temperature: 200.05 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No