Information card for entry 4080435

Structure parameters

• Formula: C31 H19 Cl F2 N2 O8 Re2
• Calculated formula: C31 H19 Cl F2 N2 O8 Re2
• Title of publication: Investigation of Monomeric versus Dimericfac-Rhenium(I) Tricarbonyl Systems Containing the Noninnocent 8-Oxyquinolate Ligand
• Authors of publication: Zhao, Helen C.; Mello, Barbara; Fu, Bi-Li; Chowdhury, Hara; Szalda, David J.; Tsai, Ming-Kang; Grills, David C.; Rochford, Jonathan
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 6
• Pages of publication: 1832
• a: 9.9577 ± 0.0002 Å
• b: 13.3639 ± 0.0003 Å
• c: 23.9913 ± 0.0005 Å
• α: 90°
• β: 101.474 ± 0.001°
• γ: 90°
• Cell volume: 3128.81 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No