Information card for entry 4314767

Structure parameters

• Formula: C28 H36 Cl6 Mn3 N8
• Calculated formula: C28 H36 Cl6 Mn3 N8
• SMILES: [Mn]123([Cl][Mn](Cl)(Cl)Cl)([Cl][Mn]456(Cl)[n]7ccccc7C[NH]5CC[NH]6Cc5[n]4cccc5)[n]4ccccc4C[NH]1CC[NH]2Cc1[n]3cccc1
• Title of publication: Synthesis and Characterization of an Asymmetric, Linear, Trinuclear Manganese(II) Complex
• Authors of publication: Cristina M. Coates; Stephanie R. Fiedler; T. Laura McCullough; Thomas E. Albrecht-Schmitt; Matthew P. Shores; Christian R. Goldsmith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1481 - 1486
• a: 20.56 ± 0.002 Å
• b: 7.5778 ± 0.0009 Å
• c: 23.833 ± 0.003 Å
• α: 90°
• β: 101.031 ± 0.002°
• γ: 90°
• Cell volume: 3644.6 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No