Information card for entry 7034150

Structure parameters

• Formula: C40 H30 Mn2 N8 O6
• Calculated formula: C40 H30 Mn2 N8 O6
• SMILES: C1(=O)c2cc3c4c(cccc4)O[Mn]45([n]3n2[Mn]2([n]3ccccc3)(O1)([n]1c(cc(C(=O)O5)n41)c1c(cccc1)O2)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties.
• Authors of publication: Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6620 - 6629
• a: 9.4334 ± 0.0007 Å
• b: 10.5064 ± 0.001 Å
• c: 11.3707 ± 0.0012 Å
• α: 64.163 ± 0.001°
• β: 68.397 ± 0.001°
• γ: 70.361 ± 0.002°
• Cell volume: 922.05 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No