Information card for entry 7706048

Structure parameters

• Formula: C40 H56 Br2 N4 O6 Re2
• Calculated formula: C40 H56 Br2 N4 O6 Re2
• 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: 6.499 ± 0.003 Å
• b: 8.104 ± 0.004 Å
• c: 22.21 ± 0.011 Å
• α: 87.49 ± 0.04°
• β: 82.67 ± 0.03°
• γ: 74.59 ± 0.03°
• Cell volume: 1118.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No