Information card for entry 7249541

Structure parameters

• Formula: C12 H9 N S
• Calculated formula: C12 H9 N S
• Title of publication: Structural properties and lattice phonons evolution in phenothiazine/iminostilbene solid solutions
• Authors of publication: Giunchi, Andrea; Pandolfi, Lorenzo; Della Valle, Raffaele G.; Salzillo, Tommaso; Venuti, Elisabetta; Demitri, Nicola; Riegler, Hans; Petschacher, Christina; Liu, Jie; Werzer, Oliver
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 46
• Pages of publication: 6573 - 6584
• a: 7.923 ± 0.002 Å
• b: 20.978 ± 0.004 Å
• c: 5.897 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 980.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No