Information card for entry 7026834

Structure parameters

• Formula: C60 H74 Mn
• Calculated formula: C60 H74 Mn
• SMILES: c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Mn]c1c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Terphenyl substituted derivatives of manganese(II): distorted geometries and resistance to elimination.
• Authors of publication: Ni, Chengbao; Fettinger, James C.; Long, Gary J.; Power, Philip P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10664 - 10670
• a: 15.5603 ± 0.0017 Å
• b: 15.8913 ± 0.0019 Å
• c: 19.946 ± 0.002 Å
• α: 90°
• β: 92.953 ± 0.002°
• γ: 90°
• Cell volume: 4925.6 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.0687
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1007
• 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: No
• Has Fobs: No