Information card for entry 4316155

Structure parameters

• Formula: C35 H24.5 N6 O6 Re2
• Calculated formula: C35 H24.5 N6 O6 Re2
• Title of publication: Highly Emissive Cyclometalated Rhenium Metallacycles: Structure-Luminescence Relationship
• Authors of publication: Yi-Hsiu Tseng; Dibyendu Bhattacharya; Shih-Ming Lin; P. Thanasekaran; Jing-Yun Wu; Li-Wei Lee; M. Sathiyendiran; Mei-Lin Ho; Min-Wen Chung; Kung-Chung Hsu; Pi-Tai Chou; Kuang-Lieh Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6805 - 6807
• a: 10.9213 ± 0.0004 Å
• b: 17.4585 ± 0.0008 Å
• c: 19.1852 ± 0.0009 Å
• α: 108.081 ± 0.002°
• β: 95.868 ± 0.002°
• γ: 96.525 ± 0.002°
• Cell volume: 3418.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No