Information card for entry 4118699

Structure parameters

• Formula: C30.5 H25.5 Co N6 O0.25 S2
• Calculated formula: C30.5 H24 Co N6 O0.25 S2
• Title of publication: Field-Induced Slow Magnetic Relaxation in a Six-Coordinate Mononuclear Cobalt(II) Complex with a Positive Anisotropy
• Authors of publication: Julia Vallejo; Isabel Castro; Rafael Ruiz-García; Joan Cano; Miguel Julve; Francesc Lloret; Giovanni De Munno; Wolfgang Wernsdorfer; Emilio Pardo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 15704 - 15707
• a: 9.744 ± 0.0005 Å
• b: 10.8 ± 0.0004 Å
• c: 14.829 ± 0.0007 Å
• α: 77.646 ± 0.003°
• β: 78.774 ± 0.002°
• γ: 70.101 ± 0.002°
• Cell volume: 1420.71 ± 0.11 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: 0.1145
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No