Information card for entry 4304702

Structure parameters

• Common name: [LZn2Mn(OAc)2(MeOH)2]
• Formula: C34 H40 Mn N4 O16 Zn2
• Calculated formula: C34 H40 Mn N4 O16 Zn2
• SMILES: [Mn]123([O]4[Zn]56([N](=Cc7c4c(ccc7)OC)OCCO[N]5=Cc4c(c5c(cc4)C=[N]4[Zn]7([O]25)([N](OCCO4)=Cc2c(c(ccc2)OC)O7)[O]=C(O3)C)[O]16)OC(=O)C)([OH]C)[OH]C
• Title of publication: Acyclic Bis(N2O2 chelate) Ligand for Trinuclear d-Block Homo- and Heterometal Complexes
• Authors of publication: Shigehisa Akine; Takanori Taniguchi; Tatsuya Nabeshima
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3255 - 3264
• a: 11.168 ± 0.005 Å
• b: 12.914 ± 0.006 Å
• c: 15.231 ± 0.005 Å
• α: 68.539 ± 0.016°
• β: 68.93 ± 0.016°
• γ: 86.77 ± 0.02°
• Cell volume: 1900.5 ± 1.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0588
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No