Information card for entry 7007396

Structure parameters

• Common name: (MnL(dmf)(dmso))2
• Chemical name: [MnL(dmf)(dmso)]2
• Formula: C34 H50 Mn2 N6 O12 S8
• Calculated formula: C34 H50 Mn2 N6 O12 S8
• SMILES: CC1=C2C(=[O][Mn]3(O1)(OC(=C(Sc1nnc(SC4=C(C)O[Mn]5([O]=C4C)(OC(=C(Sc4nnc(S2)s4)C(=[O]5)C)C)([O]=S(C)C)[O]=CN(C)C)s1)C(=[O]3)C)C)([O]=S(C)C)[O]=CN(C)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: 10.8989 ± 0.0001 Å
• b: 11.0697 ± 0.0003 Å
• c: 11.7666 ± 0.0003 Å
• α: 107.71 ± 0.001°
• β: 109.114 ± 0.001°
• γ: 99.806 ± 0.001°
• Cell volume: 1218.97 ± 0.05 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: 0.104
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No