Information card for entry 7028530

Structure parameters

• Formula: C40 H51 Cl2 Mn4 N9 Na O13
• Calculated formula: C40 H51 Cl2 Mn4 N9 Na O13
• SMILES: C[O]1c2cccc3c2[O]2[Mn]456[Cl][Mn]789%10[O]%11c%12c%13C=[N]8[C@@H](C[O]9[Mn](N=C=NC#N)(N=C=NC#N)([O]5C[C@@H](C)[N]4=C3)([O]3C[C@@H](C)[N]4=Cc5c8c(ccc5)[O](C)[Na]12%11([O](C)c%12ccc%13)[O]8[Mn]34([Cl]7)([O]6%10)[OH]CC)[OH2])C.CO
• Title of publication: Chiral [NaMn(II)Mn(III)3] and [Na2Mn(II)2Mn(III)6] clusters constructed by chiral multidentate Schiff-base ligands: synthesis, structures, CD spectra and magnetic properties.
• Authors of publication: Song, Ye; Zhang, Guonan; Qin, Xiaoting; Gao, Yanfei; Ding, Shuai; Wang, Yanqin; Du, Chunfang; Liu, Zhiliang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 10
• Pages of publication: 3880 - 3887
• a: 12.2814 ± 0.0005 Å
• b: 12.5064 ± 0.0005 Å
• c: 31.8402 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4890.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No