Information card for entry 7025322

Structure parameters

• Formula: C30 H30 Fe Mn N10 O7
• Calculated formula: C30 H26 Fe Mn N10 O7
• SMILES: [Fe]1([n]2c(nccc2)c2[n]1cccn2)(C#[N][Mn]123([N](CC[N]1=Cc1c(O3)cc(OC)cc1)=Cc1c(O2)cc(OC)cc1)[OH2])(C#N)(C#N)C#N.O.O
• Title of publication: Magnetic coupling in discrete cyano-bridged Mn(III)-Fe(III) motifs: synthesis, crystal structure, magnetic properties and theoretical study.
• Authors of publication: Visinescu, Diana; Toma, Luminita Marilena; Cano, Joan; Fabelo, Oscar; Ruiz-Pérez, Catalina; Labrador, Ana; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 5028 - 5038
• a: 11.475 ± 0.009 Å
• b: 13.178 ± 0.005 Å
• c: 13.58 ± 0.003 Å
• α: 107.683 ± 0.017°
• β: 110.92 ± 0.02°
• γ: 105.07 ± 0.04°
• Cell volume: 1663.5 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1125
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No