Information card for entry 7706046

Structure parameters

• Formula: C16 H20 Br N2 O3 Re
• Calculated formula: C16 H20 Br N2 O3 Re
• Title of publication: Lipophilic Re(CO)₃pyca complexes for Mid-IR imaging applications.
• Authors of publication: Schrage, Briana R.; Frisinger, Baylee R.; Schmidtke Sobeck, Sarah J.; Ziegler, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 1069 - 1075
• a: 37.124 ± 0.01 Å
• b: 8.127 ± 0.002 Å
• c: 12.214 ± 0.004 Å
• α: 90°
• β: 95.87 ± 0.01°
• γ: 90°
• Cell volume: 3665.7 ± 1.8 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: 0.026
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No