Information card for entry 7101661

Structure parameters

• Formula: C45.5 H38 Li Mn N2 O4 P S2
• Calculated formula: C30.3333 H25.3333 Li0.666667 Mn1.33333 N1.33333 O2.66667 P0.666667 S1.33333
• Title of publication: The P(bth)2- anion as a Janus head staple between lithium and manganese (bth = benzothiazol-2-yl, C7H4NS).
• Authors of publication: Stey, Thomas; Henn, Julian; Stalke, Dietmar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 4
• Pages of publication: 413 - 415
• a: 27.957 ± 0.012 Å
• b: 16.397 ± 0.007 Å
• c: 21.612 ± 0.009 Å
• α: 90°
• β: 120.372 ± 0.008°
• γ: 90°
• Cell volume: 8547 ± 6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No