Information card for entry 7059659

Structure parameters

• Formula: C15 H14 Br Mn N3 O3.5
• Calculated formula: C15 H14 Br Mn N3 O3.5
• Title of publication: Synthesis, characterization and photoinduced CO-release by manganese(i) complexes
• Authors of publication: Amorim, André L.; Guerreiro, Ana; Glitz, Vinícius A.; Coimbra, Daniel F.; Bortoluzzi, Adailton J.; Caramori, Giovanni F.; Braga, Antonio L.; Neves, Ademir; Bernardes, Gonçalo J. L.; Peralta, Rosely A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 26
• Pages of publication: 10892 - 10901
• a: 21.6165 ± 0.0007 Å
• b: 11.825 ± 0.0003 Å
• c: 14.9206 ± 0.0005 Å
• α: 90°
• β: 117.864 ± 0.001°
• γ: 90°
• Cell volume: 3371.74 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No