Information card for entry 4083319

Structure parameters

• Formula: C27 H18 N3 O4 Re
• Calculated formula: C27 H17.75 N3 O4 Re
• SMILES: [Re]1(C#[O])(C#[O])(C#[O])([n]2c3c(cccc3)n(c2c2c(cccc2)O1)c1ccccc1)[n]1ccccc1
• Title of publication: Synthesis, Crystal Structure, and Optical and Photoelectrochemical Properties of a N∩O− Rhenium(I) Complex
• Authors of publication: Ju, Chuan-Chuan; Zhang, An-Guo; Sun, Hao-Ling; Wang, Ke-Zhi; Jiang, Wei-Li; Bian, Zu-Qiang; Huang, Chun-Hui
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 4
• Pages of publication: 712 - 716
• a: 24.126 ± 0.005 Å
• b: 26.246 ± 0.005 Å
• c: 15.483 ± 0.003 Å
• α: 90°
• β: 104.28 ± 0.03°
• γ: 90°
• Cell volume: 9501 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No