Information card for entry 7247996

Structure parameters

• Formula: C62 H68 Cl8 Mn2 N7 O15 Tb
• Calculated formula: C62 H68 Cl8 Mn2 N7 O15 Tb
• Title of publication: The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands
• Authors of publication: Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1004 - 1014
• a: 23.9154 ± 0.0018 Å
• b: 17.9234 ± 0.0014 Å
• c: 16.4008 ± 0.0011 Å
• α: 90°
• β: 98.864 ± 0.002°
• γ: 90°
• Cell volume: 6946.2 ± 0.9 ų
• Cell temperature: 188 K
• Ambient diffraction temperature: 188 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1404
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No