Information card for entry 7247997

Structure parameters

• Formula: C66 H84 Mn2 N7 O19 Tb
• Calculated formula: C66 H80 Mn2 N7 O19 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: 11.8404 ± 0.0017 Å
• b: 11.8606 ± 0.0014 Å
• c: 14.328 ± 0.002 Å
• α: 104.939 ± 0.004°
• β: 90.305 ± 0.004°
• γ: 117.451 ± 0.004°
• Cell volume: 1707 ± 0.4 ų
• Cell temperature: 188 K
• Ambient diffraction temperature: 188 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No