Information card for entry 7703566

Structure parameters

• Common name: 6,6?-{N(4-hexylphenyl)-N(ethyl)-amido}-2,2?-bipyridyl tricarbonylchlororhenium
• Chemical name: [Re(HPEAB)(CO)3Cl]
• Formula: C47 H60 Cl N4 O6 Re
• Calculated formula: C47 H60 Cl N4 O6 Re
• Title of publication: Sterically hindered Re- and Mn-CO₂ reduction catalysts for solar energy conversion.
• Authors of publication: Shipp, James D.; Carson, Heather; Spall, Steven J. P.; Parker, Simon C.; Chekulaev, Dimitri; Jones, Natalie; Mel'nikov, Mikhail Ya; Robertson, Craig C.; Meijer, Anthony J. H. M.; Weinstein, Julia A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4230 - 4243
• a: 15.9608 ± 0.0005 Å
• b: 16.3375 ± 0.0004 Å
• c: 17.8363 ± 0.0005 Å
• α: 90°
• β: 107.528 ± 0.001°
• γ: 90°
• Cell volume: 4435 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0521
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No