Information card for entry 7007393

Structure parameters

• Common name: (MnL(H2O)(dmso))2(dmso)2
• Chemical name: [MnL(H2O)(dmso)]2[dmso]2
• Formula: C32 H52 Mn2 N4 O14 S10
• Calculated formula: C32 H52 Mn2 N4 O14 S10
• SMILES: CC1=[O][Mn]23([O]=S(C)C)([OH2])OC(=C1Sc1nnc(s1)SC1=C(C)O[Mn]4([O]=C(C)C(=C(C)O4)Sc4nnc(s4)SC(=C(C)O2)C(=[O]3)C)([O]=C1C)([O]=S(C)C)[OH2])C.O=S(C)C.O=S(C)C
• Title of publication: Syntheses and structural characterizations of 24-membered dimetal (Mn, Ni, Fe) macrocyclic complexes and the C-S bond formation between acetylacetone and a mercapto N-heterocycle.
• Authors of publication: Zhang, Xiaofeng; Chen, Hui; Ma, Chengbing; Chen, Changneng; Liu, Qiutian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 33
• Pages of publication: 4047 - 4055
• a: 10.0088 ± 0.0008 Å
• b: 11.3527 ± 0.0009 Å
• c: 11.9496 ± 0.0009 Å
• α: 69.39 ± 0.002°
• β: 81.425 ± 0.002°
• γ: 84.084 ± 0.002°
• Cell volume: 1254.81 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.1064
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.245
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No