Information card for entry 4312199

Structure parameters

• Formula: C17 H13 Br2 Mn N4 O2
• Calculated formula: C17 H13 Br2 Mn N4 O2
• Title of publication: An Antiferromagnetic Mn(III) Chain Bridged by Hydrogencyanamide: [MnIII(5-Brsalen)(μ1,3-NCNH)]n
• Authors of publication: Mei Yuan; Song Gao; Hao-Ling Sun; Gang Su
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 8221 - 8223
• a: 13.3699 ± 0.0004 Å
• b: 11.7277 ± 0.0004 Å
• c: 11.5495 ± 0.0003 Å
• α: 90°
• β: 105.978 ± 0.002°
• γ: 90°
• Cell volume: 1740.98 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No