Information card for entry 7707641

Structure parameters

• Chemical name: Na[Li3(1)3Ti2]
• Formula: C78 H96 Li3 N2 Na O40 Ti2
• Calculated formula: C78 H96 Li3 N2 Na O40 Ti2
• Title of publication: Cation-translocation based isomerism offers a tool for the expansion of compressed helicates.
• Authors of publication: Mevissen, Christian; Sommer, David; Vasanthakumar, Sabarina; Truong, Khai-Nghi; Rissanen, Kari; Albrecht, Markus
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 27
• Pages of publication: 9372 - 9375
• a: 14.6785 ± 0.0002 Å
• b: 40.9426 ± 0.0005 Å
• c: 14.4762 ± 0.0002 Å
• α: 90°
• β: 107.797 ± 0.002°
• γ: 90°
• Cell volume: 8283.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No