Information card for entry 4329319

Structure parameters

• Formula: C20 H16 Br Mn2 N11 O6
• Calculated formula: C20 H16 Br Mn2 N11 O6
• Title of publication: Coordination versus Coupling of Dicyanamide in Molybdenum and Manganese Pyrazole Complexes
• Authors of publication: Marta Arroyo; Patricia Gómez-Iglesias; Jose Miguel Martín-Alvarez; Celedonio M. Alvarez; Daniel Miguel; Fernando Villafañe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6070 - 6080
• a: 16.232 ± 0.007 Å
• b: 9.622 ± 0.004 Å
• c: 27.2 ± 0.009 Å
• α: 90°
• β: 97.354 ± 0.007°
• γ: 90°
• Cell volume: 4213 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1024
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No