Information card for entry 7700135

Structure parameters

• Formula: C146 H250 N2 O60 Ti18
• Calculated formula: C146 H250 N2 O60 Ti18
• Title of publication: Cluster-to-cluster charge transfer in a compound with a co-crystallized dye-anchored Ti₆ cluster and a classical Ti₁₂ cluster.
• Authors of publication: Wang, Huan; Zou, Dan-Hong; Jiang, Guo-Qin; Dai, Jie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 24
• Pages of publication: 8569 - 8572
• a: 14.1466 ± 0.0018 Å
• b: 15.6568 ± 0.0019 Å
• c: 23.301 ± 0.003 Å
• α: 99.803 ± 0.003°
• β: 99.129 ± 0.004°
• γ: 108.462 ± 0.003°
• Cell volume: 4697.4 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No