Information card for entry 4327312

Structure parameters

• Formula: C16 H12 Br2 Mn N5 O2
• Calculated formula: C16 H12 Br2 Mn N5 O2
• Title of publication: Coexistence of Spin Canting and Metamagnetism in a One-Dimensional Mn(III) Complex Bridged by a Single End-to-End Azide
• Authors of publication: Hyun Hee Ko; Jeong Hak Lim; Hyoung Chan Kim; Chang Seop Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 8847 - 8849
• a: 11.5082 ± 0.0002 Å
• b: 11.2664 ± 0.0002 Å
• c: 27.3565 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3546.93 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No