Information card for entry 7119487

Structure parameters

• Formula: C37.5 H32.5 Br Cl10.5 Mn N3 O3 P2
• Calculated formula: C37.5 H32.5 Br Cl10.5 Mn N3 O3 P2
• Title of publication: Electrocatalytic reduction of CO2 using Mn complexes with unconventional coordination environments
• Authors of publication: Gyandshwar; Kumar; Rao; Wendy; Pell; Ilia; Korobkov; Darrin; Richeson
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 8010
• a: 12.8806 ± 0.0003 Å
• b: 15.305 ± 0.0003 Å
• c: 15.3667 ± 0.0003 Å
• α: 113.734 ± 0.0011°
• β: 98.8175 ± 0.0012°
• γ: 110.01 ± 0.0011°
• Cell volume: 2452.06 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No