Information card for entry 4079152

Structure parameters

• Formula: C27.5 H29.25 F6 N3 O6.13 P2 Re
• Calculated formula: C27.5 H29.25 F6 N3 O6.125 P2 Re
• 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: 13.7655 ± 0.0001 Å
• b: 19.0956 ± 0.0002 Å
• c: 24.872 ± 0.0003 Å
• α: 90 ± 0.02°
• β: 101.053 ± 0.001°
• γ: 90 ± 0.02°
• Cell volume: 6416.59 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1564
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CUKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No