Information card for entry 4079154

Structure parameters

• Formula: C30 H24 F3 N3 O5 P Re S
• Calculated formula: C30 H24 F3 N3 O5 P Re S
• Title of publication: Luminescent Rhenium(I) Phenanthroline Complexes with a Benzoxazol-2-ylidene Ligand: Synthesis, Characterization, and Photophysical Study
• Authors of publication: Ko, Chi-Chiu; Ng, Chi-On; Yiu, Shek-Man
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 20
• Pages of publication: 7074
• a: 13.888 ± 0.0006 Å
• b: 8.7445 ± 0.0004 Å
• c: 24.6995 ± 0.001 Å
• α: 90°
• β: 98.706 ± 0.004°
• γ: 90°
• Cell volume: 2965 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No