Information card for entry 7044479

Structure parameters

• Formula: C38 H26 Cl N2 O3 Re S2
• Calculated formula: C38 H26 Cl N2 O3 Re S2
• Title of publication: Rhenium tricarbonyl complexes of AIE active tetraarylethylene ligands: tuning luminescence properties and HSA-specific binding
• Authors of publication: Gabr, Moustafa T.; Pigge, Chris
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 8.7755 ± 0.0009 Å
• b: 13.4717 ± 0.0014 Å
• c: 15.1412 ± 0.0015 Å
• α: 78.884 ± 0.005°
• β: 77.789 ± 0.005°
• γ: 72.824 ± 0.005°
• Cell volume: 1655.1 ± 0.3 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0398
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No