Information card for entry 4312967

Structure parameters

• Common name: [Mn(2,2'-bipy)(3-Cl(C6H4)NCN)2(MeOH)]2
• Formula: C50 H40 Cl4 Mn2 N12 O2
• Calculated formula: C50 H40 Cl4 Mn2 N12 O2
• SMILES: c1c2c3cccc[n]3[Mn]3([n]2ccc1)([OH]C)(N=C=[N](c1cc(ccc1)Cl)[Mn]1([n]2ccccc2c2cccc[n]12)(N=C=[N]3c1cc(ccc1)Cl)(N=C=Nc1cc(ccc1)Cl)[OH]C)N=C=Nc1cc(ccc1)Cl
• Title of publication: Molecular, 1D, and 2D Systems Built from Phenylcyanamido Ligands. Syntheses, Crystal Structures, and Characterization of Their Magnetic Properties
• Authors of publication: Albert Escuer; Núria Sanz; Ramon Vicente; Franz A. Mautner
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 541 - 551
• a: 9.683 ± 0.003 Å
• b: 10.826 ± 0.004 Å
• c: 11.926 ± 0.003 Å
• α: 88.71 ± 0.02°
• β: 77.04 ± 0.03°
• γ: 83.16 ± 0.03°
• Cell volume: 1209.7 ± 0.7 ų
• Cell temperature: 87 ± 2 K
• Ambient diffraction temperature: 87 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1425
• Weighted residual factors for significantly intense reflections: 0.1316
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No