Information card for entry 4085148

Structure parameters

• Formula: C32 H27 N O8 Re
• Calculated formula: C32 H7 N O8 Re
• Title of publication: Rhenabenzenes and Unexpected Coupling Products from the Reactions of Rhenacyclobutadienes with Ethoxyethyne
• Authors of publication: Lin, Ran; Lee, Ka-Ho; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 167
• a: 7.5891 ± 0.0004 Å
• b: 9.1757 ± 0.0005 Å
• c: 22.2233 ± 0.001 Å
• α: 79.342 ± 0.004°
• β: 88.07 ± 0.004°
• γ: 76.32 ± 0.004°
• Cell volume: 1477.6 ± 0.13 ų
• Cell temperature: 99.96 ± 0.17 K
• Ambient diffraction temperature: 99.96 ± 0.17 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No