Information card for entry 7012741

Structure parameters

• Common name: (Mn(2,2'-bipym)(4-Cl-phenyl-NCN)2(H2O))2
• Formula: C44 H32 Cl4 Mn2 N16 O2
• Calculated formula: C44 H32 Cl4 Mn2 N16 O2
• Title of publication: Supramolecular systems built from phenylcyanamido ligands. Syntheses, crystal structures and magnetic properties
• Authors of publication: Albert Escuer; Franz A. Mautner; Núria Sanz; Ramon Vicente
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2121 - 2125
• a: 8.365 ± 0.004 Å
• b: 20.646 ± 0.008 Å
• c: 26.163 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4518 ± 3 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections: 0.1468
• Weighted residual factors for significantly intense reflections: 0.1393
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No