Information card for entry 4086531

Structure parameters

• Chemical name: tribromononacarbonyl(tris-(4-[2,?2',?6',?2"-?terpyridyl]?benzyl)? cyclotriguaiacylene)trirhenhium(I) dimethylsulfoxide clathrate
• Formula: C101 H74 Br3 N9 O16 Re3 S
• Calculated formula: C100.99 H69 Br3 N9 O15.99 Re3 S0.99
• Title of publication: Tris(rheniumfac-tricarbonyl) Polypyridine Functionalized Cyclotriguaiacylene Ligands with Rich and Varied Emission
• Authors of publication: Thorp-Greenwood, Flora L.; Pritchard, Victoria E.; Coogan, Michael P.; Hardie, Michaele J.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1632
• a: 31.4303 ± 0.0016 Å
• b: 31.4303 ± 0.0016 Å
• c: 9.5684 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8185.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 150
• Hermann-Mauguin space group symbol: P 3 2 1
• Hall space group symbol: P 3 2"
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No