Information card for entry 8105090

Structure parameters

• Chemical name: <i>fac</i>-bis(hexacarbonyl-<i>μ</i>~2~-methoxy)(<i>μ</i>~2~- bis(di-<i>p</i>-tolylphosphino) cyclohexylamine)dirhenium(I)
• Formula: C42 H45 N O8 P2 Re2
• Calculated formula: C42 H45 N O8 P2 Re2
• Title of publication: Crystal structure of hexacarbonyl-(μ2-methanoato-k2 O:O′)-(μ2–bis(di-p-tolylphosphino)cyclohexylamine-κ2 P:P′)dirhenium(I), C42H45NO8P2Re2
• Authors of publication: Kama, Dumisani V.; Brink, Alice; Alberto, Roger; Roodt, Andreas
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 2
• Pages of publication: 303 - 305
• a: 24.1612 ± 0.0007 Å
• b: 13.0229 ± 0.0003 Å
• c: 14.918 ± 0.0004 Å
• α: 90°
• β: 121.383 ± 0.003°
• γ: 90°
• Cell volume: 4007.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No