Information card for entry 7026839

Structure parameters

• Formula: C40 H58 Mn
• Calculated formula: C40 H58 Mn
• SMILES: [Mn](c1c(cccc1c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)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: 8.8403 ± 0.001 Å
• b: 16.8782 ± 0.0019 Å
• c: 24.175 ± 0.003 Å
• α: 90°
• β: 93.716 ± 0.002°
• γ: 90°
• Cell volume: 3599.5 ± 0.7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No