Information card for entry 4315680

Structure parameters

• Formula: C40 H56 Mn N3 O P2
• Calculated formula: C40 H56 Mn N3 O P2
• SMILES: [Mn]123([P](c4c(N2c2c([P]1(C(C)C)C(C)C)cc(cc2)C)ccc(c4)C)(C(C)C)C(C)C)[n]1ccccc1c1[n]3cccc1.O1CCCC1
• Title of publication: High-Spin Manganese(II) Complexes of an Amido/Bis(Phosphine) PNP Ligand
• Authors of publication: Deborha Bacciu; Chun-Hsing Chen; Panida Surawatanawong; Bruce M. Foxman; Oleg V. Ozerov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5328 - 5334
• a: 11.2075 ± 0.0005 Å
• b: 12.4903 ± 0.0005 Å
• c: 14.9145 ± 0.0006 Å
• α: 71.517 ± 0.002°
• β: 88.441 ± 0.002°
• γ: 72.003 ± 0.002°
• Cell volume: 1877.43 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No