Information card for entry 7703236

Structure parameters

• Formula: C80 H102 N4 O2 Re2 Zr
• Calculated formula: C80 H102 N4 O2 Re2 Zr
• Title of publication: Controlling dinitrogen functionalization at rhenium through alkali metal ion pairing.
• Authors of publication: Lohrey, Trevor D.; Bergman, Robert G.; Arnold, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 48
• Pages of publication: 17936 - 17944
• a: 38.4204 ± 0.0019 Å
• b: 10.5896 ± 0.0005 Å
• c: 18.2368 ± 0.0008 Å
• α: 90°
• β: 108.02 ± 0.002°
• γ: 90°
• Cell volume: 7055.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0296
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No