Information card for entry 7250276

Structure parameters

• Formula: C318 H432 Cl2 Mn6 N12 Na12 O44 S14
• Calculated formula: C314 H426 Cl2 Mn6 N10 Na12 O44 S14
• Title of publication: Calix[4]arene-supported trigonal and square prisms of Mn and Na
• Authors of publication: Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 3041 - 3047
• a: 34.6511 ± 0.0007 Å
• b: 20.6506 ± 0.0005 Å
• c: 24.2274 ± 0.0006 Å
• α: 90°
• β: 100.104 ± 0.002°
• γ: 90°
• Cell volume: 17067.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1326
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2704
• Weighted residual factors for all reflections included in the refinement: 0.2844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No