Information card for entry 2222659

Structure parameters

• Chemical name: Bis{μ-4,4'-dimethoxy-2,2'-[propane-1,2- diylbis(nitrilomethylidyne)]diphenolato}bis({4,4'-dimethoxy-2,2'-[propane-1,2- diylbis(nitrilomethylidyne)]diphenol}manganese(III)) bis(hexafluoridophosphate)
• Formula: C76 H80 F12 Mn2 N8 O16 P2
• Calculated formula: C76 H80 F12 Mn2 N8 O16 P2
• Title of publication: Bis{μ-4,4'-dimethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}bis({4,4'-dimethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenol}manganese(III)) bis(hexafluoridophosphate)
• Authors of publication: Habibi, Mohammad Hossein; Askari, Elham; Mokhtari, Reza; Montazerozohori, Morteza; Suzuki, Takayoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m1004 - m1005
• a: 13.2754 ± 0.0005 Å
• b: 22.658 ± 0.001 Å
• c: 14.0774 ± 0.0005 Å
• α: 90°
• β: 111.476 ± 0.001°
• γ: 90°
• Cell volume: 3940.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.1022
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1947
• Weighted residual factors for all reflections included in the refinement: 0.2191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes