Information card for entry 7007395

Structure parameters

• Common name: (MnL(dmf)2)2
• Chemical name: [MnL(dmf)2]2
• Formula: C36 H52 Mn2 N8 O12 S6
• Calculated formula: C36 H52 Mn2 N8 O12 S6
• SMILES: C1(=C2C(=[O][Mn]3(O1)([O]=CN(C)C)([O]=C(C)C(=C(O3)C)Sc1nnc(SC3=C(C)O[Mn]4([O]=C3C)([O]=C(C)C(=C(O4)C)Sc3nnc(S2)s3)([O]=CN(C)C)[O]=CN(C)C)s1)[O]=CN(C)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: 11.0902 ± 0.0008 Å
• b: 11.2049 ± 0.0007 Å
• c: 11.925 ± 0.0008 Å
• α: 111.575 ± 0.001°
• β: 107.82 ± 0.001°
• γ: 96.066 ± 0.001°
• Cell volume: 1271.45 ± 0.15 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.326
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No