Information card for entry 4328693

Structure parameters

• Formula: C34 H34 Fe Mn N8 O9
• Calculated formula: C34 H34 Fe Mn N8 O9
• SMILES: [Fe]12([n]3ccccc3C(=O)N1C(=O)c1[n]2cccc1)(C#N)(C#N)C#[N][Mn]123(Oc4c(OC)cccc4C=[N]2CC[N]3=Cc2cccc(OC)c2O1)[OH2].O.OC
• Title of publication: Cyanido-Bridged Fe(III)-Mn(III) Heterobimetallic Materials Built From Mn(III) Schiff Base Complexes and Di- or Tri-Cyanido Fe(III) Precursors
• Authors of publication: Tapas Senapati; Céline Pichon; Rodica Ababei; Corine Mathonière; Rodolphe Clérac
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 3796 - 3812
• a: 11.548 ± 0.005 Å
• b: 12.431 ± 0.005 Å
• c: 13.16 ± 0.005 Å
• α: 91.241 ± 0.005°
• β: 102.517 ± 0.005°
• γ: 105.191 ± 0.005°
• Cell volume: 1773.6 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0573
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No