Information card for entry 7004259

Structure parameters

• Formula: C36 H54 Cl4 Mn4 N10 O24
• Calculated formula: C36 H54 Cl4 Mn4 N10 O24
• SMILES: C1C[O]2[Mn]34567[N]1(CC[NH2]3)CC[O]1[Mn]385([N](CC[O]3[Mn]31([n]1c(cccc1)c1cccc[n]31)([N]#CC)[OH2])(CC[O]4[Mn]12([n]2c(cccc2)c2[n]1cccc2)([N]#CC)[OH2])CC[NH2]8)(O6)O7.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Rare tetranuclear mixed-valent [MnII2MnIV2] clusters as building blocks for extended networks
• Authors of publication: Karotsis, Georgios; Jones, Leigh F.; Papaefstathiou, Giannis S.; Collins, Anna; Parsons, Simon; Nguyen, Tuyen D.; Evangelisti, Marco; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 36
• Pages of publication: 4917 - 4925
• a: 9.8751 ± 0.0003 Å
• b: 13.9986 ± 0.0004 Å
• c: 14.1558 ± 0.0004 Å
• α: 63.722 ± 0.002°
• β: 73.229 ± 0.002°
• γ: 78.714 ± 0.002°
• Cell volume: 1674.73 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0937
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections: 0.1755
• Weighted residual factors for significantly intense reflections: 0.1609
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No