Information card for entry 1556526

Structure parameters

• Formula: C133 H160 F12 Mn6 N19 O20 P2 Re
• Calculated formula: C133 H152 F12 Mn6 N19 O20 P2 Re
• SMILES: [Re](C#[N][Mn]123(Oc4c(C=[N]3CC[N]2=Cc2c(O1)ccc(c2)C)cc(cc4)C)[OH]C(C)C)(C#[N][Mn]123(Oc4c(cc(C)cc4)C=[N]2CC[N]3=Cc2c(O1)ccc(C)c2)[OH2])(C#[N][Mn]123(Oc4c(C=[N]2CC[N]3=Cc2cc(ccc2O1)C)cc(C)cc4)[OH]C(C)C)(C#[N][Mn]123Oc4c(C=[N]2CC[N]3=Cc2cc(ccc2O1)C)cc(C)cc4)(C#N)(C#N)C#[N][Mn]123Oc4ccc(cc4C=[N]3CC[N]2=Cc2cc(ccc2O1)C)C.[Mn]123(Oc4c(C=[N]3CC[N]2=Cc2cc(ccc2O1)C)cc(cc4)C)([OH2])[OH]C(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC(C)C.OC(C)C.OC(C)C
• Title of publication: Assembly of Mn(III) Schiff Base Complexes with Heptacyanorhenate (IV)
• Authors of publication: Sukhikh, T.S.; Vostrikova, K.E.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 59
• a: 23.738 ± 0.0007 Å
• b: 20.5122 ± 0.0006 Å
• c: 29.8804 ± 0.0009 Å
• α: 90°
• β: 93.37 ± 0.002°
• γ: 90°
• Cell volume: 14524.2 ± 0.7 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1664
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.1959
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No