Information card for entry 2216770

Structure parameters

• Chemical name: {4,4'-dimethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanol(pyridine)manganese(III) hexafluorophosphate‒{4,4'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanol(pyridine)manganese(III) hexafluorophosphate (1/1)
• Formula: C49 H56 F12 Mn2 N6 O10 P2
• Calculated formula: C49 H56 F12 Mn2 N6 O10 P2
• Title of publication: The cocrystal {4,4'-dimethoxy-2,2'-[propane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanol(pyridine)manganese(III) hexafluoridophosphate‒{4,4'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}methanol(pyridine)manganese(III) hexafluoridophosphate (1/1)
• Authors of publication: Mohammad Hossein Habibi; Elham Askari; Suchada Chantrapromma; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2905 - m2906
• a: 23.4332 ± 0.0006 Å
• b: 16.3878 ± 0.0004 Å
• c: 14.2963 ± 0.0004 Å
• α: 90°
• β: 93.988 ± 0.001°
• γ: 90°
• Cell volume: 5476.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes