Information card for entry 7026833

Structure parameters

• Formula: C72 H98 Cl3.72 I0.28 Li2 Mn2 O3
• Calculated formula: C72 H98 Cl3.72 I0.28 Li2 Mn2 O3
• 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: 12.9458 ± 0.0006 Å
• b: 25.4683 ± 0.0011 Å
• c: 21.7044 ± 0.0009 Å
• α: 90°
• β: 102.194 ± 0.001°
• γ: 90°
• Cell volume: 6994.6 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No