Information card for entry 4305976

Structure parameters

• Formula: C50 H54 F6 N6 O P Re
• Calculated formula: C50 H54 F6 N6 O P Re
• SMILES: c1cccc2c3cccc[n]3[Re](C#[N]c3c(cccc3C)C)(C#[N]c3c(cccc3C)C)(C#[N]c3c(cccc3C)C)(C#[N]c3c(cccc3C)C)[n]12.C(C)OCC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: A New Class of Isocyanide-Containing Rhenium(I) Bipyridyl Luminophore with Readily Tunable and Highly Environmentally Sensitive Excited-State Properties
• Authors of publication: Chi-On Ng; Larry Tso-Lun Lo; Siu-Mui Ng; Chi-Chiu Ko; Nianyong Zhu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7447 - 7449
• a: 12.515 ± 0.002 Å
• b: 14.369 ± 0.002 Å
• c: 16.693 ± 0.003 Å
• α: 83 ± 0.02°
• β: 72.52 ± 0.02°
• γ: 68 ± 0.02°
• Cell volume: 2654.6 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 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: 0.0563
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No