Information card for entry 4340775

Structure parameters

• Formula: C32 H36 Mn N6 O9 S2 V
• Calculated formula: C32 H36 Mn N6 O9 S2 V
• SMILES: [Mn]123(Oc4c(cccc4C=[N]3CC[N]2=Cc2c(c(ccc2)OC)O1)OC)([O]=[V]12(SC(SC)=N[N]2=Cc2c(c(ccc2)OC)O1)=O)[OH2].N#CC.CC#N
• Title of publication: Heterobimetallic μ-Oxido Complexes Containing Discrete V(V)-O-M(III) (M = Mn, Fe) Cores: Targeted Synthesis, Structural Characterization, and Redox Studies.
• Authors of publication: Bhattacharya, Kisholoy; Abtab, Sk Md Towsif; Majee, Mithun Chandra; Endo, Akira; Chaudhury, Muktimoy
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8287 - 8297
• a: 12.486 ± 0.004 Å
• b: 12.863 ± 0.005 Å
• c: 13.292 ± 0.005 Å
• α: 61.417 ± 0.007°
• β: 71.025 ± 0.009°
• γ: 81.184 ± 0.009°
• Cell volume: 1772.7 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1187
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1943
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No