Information card for entry 7104771

Structure parameters

• Formula: C32 H78 Cr Mn2 Mo6 N4 Na O50
• Calculated formula: C32 H66 Cr Mn2 Mo6 N4 Na O50
• SMILES: C1=[N]2CC[N]3=Cc4c(cccc4)O[Mn]234([OH2])[O](c2c1cccc2)[Mn]123([OH2])[N](=Cc5c(cccc5)O2)CC[N]1=Cc1c([O]34)cccc1.[Cr]12345[OH]6[Mo]78(=O)(=O)O[Mo]96(=O)(O[Mo]6(=O)(=O)(O[Mo]%10(O[Mo]%11(=O)(=O)(O[Mo](=O)(=O)(O7)([OH]1%11)[OH]38)[OH]5%10)(=O)(=O)[OH]46)[OH]29)=O.[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Polyoxometalate-based {Mn(III)2}-Schiff base composite materials exhibiting single-molecule magnet behaviour.
• Authors of publication: Wu, Qiong; Li, Yang-Guang; Wang, Yong-Hui; Clérac, Rodolphe; Lu, Ying; Wang, En-Bo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 38
• Pages of publication: 5743 - 5745
• a: 10.896 ± 0.002 Å
• b: 11.223 ± 0.002 Å
• c: 15.417 ± 0.003 Å
• α: 105.47 ± 0.03°
• β: 98.24 ± 0.03°
• γ: 109.18 ± 0.03°
• Cell volume: 1660 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No