Information card for entry 4065656

Structure parameters

• Formula: C60 H84 Mn2 N4
• Calculated formula: C60 H84 Mn2 N4
• SMILES: c1(c(cccc1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Mn]1([NH3])[NH2][Mn](c2c(cccc2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([NH2]1)[NH3]
• Title of publication: Reaction of M(II) Diaryls (M = Mn or Fe) with Ammonia to Afford Parent Amido Complexes
• Authors of publication: Ni, Chengbao; Lei, Hao; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1988
• a: 17.7138 ± 0.0007 Å
• b: 16.2752 ± 0.0007 Å
• c: 19.9105 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5740.1 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No