Information card for entry 4348649

Structure parameters

• Formula: C15 H10 Br Mn N2 O3
• Calculated formula: C15 H10 Br Mn N2 O3
• Title of publication: Manganese Tricarbonyl Complexes with Asymmetric 2-Iminopyridine Ligands: Toward Decoupling Steric and Electronic Factors in Electrocatalytic CO₂ Reduction.
• Authors of publication: Spall, Steven J. P.; Keane, Theo; Tory, Joanne; Cocker, Dean C.; Adams, Harry; Fowler, Hannah; Meijer, Anthony J. H. M.; Hartl, František; Weinstein, Julia A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 24
• Pages of publication: 12568 - 12582
• a: 12.321 ± 0.0005 Å
• b: 8.9901 ± 0.0004 Å
• c: 13.88 ± 0.0006 Å
• α: 90°
• β: 99.527 ± 0.002°
• γ: 90°
• Cell volume: 1516.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No