Information card for entry 7026836

Structure parameters

• Formula: C66 H80 I Li3 Mn O3
• Calculated formula: C66 H79 I Li3 Mn O3
• SMILES: [Mn]12(c3c(cccc3c3c(cccc3C(C)C)C(C)C)c3c(cccc3C(C)C)C(C)C)[C]34#[C]5([Li]673([I]3[Li]89([O](CC)CC)([C]16#[C]78c1ccccc1)[C]12#[C]9([Li]4531[O](CC)CC)c1ccccc1)[O]1CCCC1)c1ccccc1
• 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: 61.658 ± 0.009 Å
• b: 13.1427 ± 0.0019 Å
• c: 14.888 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12065 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No