Information card for entry 7232777

Structure parameters

• Formula: C28.5 H28.5 Cl2 Mn N11.5 O1.5
• Calculated formula: C28.5 H28.5 Cl2 Mn N11.5 O1.5
• Title of publication: Solvent-induced SC‒SC transformation within the ZnII‒triazole system: a promising MnO4− selective luminescent probe
• Authors of publication: Cheng, Lin; Xue, Chong-Yu; Wang, Ying; Yang, Dan-Dan; Zhang, Ying-Xin; Gao, Yi-Xuan; Day, Gregory S.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 22
• Pages of publication: 3390
• a: 18.5353 ± 0.0015 Å
• b: 15.4936 ± 0.0015 Å
• c: 21.554 ± 0.002 Å
• α: 90°
• β: 96.986 ± 0.002°
• γ: 90°
• Cell volume: 6143.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0863
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No