Information card for entry 7053737

Structure parameters

• Common name: chloromethylpyridylrheniumbipytricarbonyPF6
• Chemical name: 3-chloromethylpyridylbipyridylrheniumtricarbonylhexafluorophosphate
• Formula: C19 H14 Cl F6 N3 O3 P Re
• Calculated formula: C19 H14 Cl F6 N3 O3 P Re
• SMILES: C(c1c[n](ccc1)[Re]1(C#[O])(C#[O])(C#[O])[n]2ccccc2c2cccc[n]12)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 3-Chloromethylpyridyl bipyridine fac-tricarbonyl rhenium: a thiol-reactive luminophore for fluorescence microscopy accumulates in mitochondria
• Authors of publication: Amoroso, Angelo J.; Arthur, Richard J.; Coogan, Michael P.; Court, Jonathan B.; Fernández-Moreira, Vanesa; Hayes, Anthony J.; Lloyd, David; Millet, Coralie; Pope, Simon J. A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 7
• Pages of publication: 1097
• a: 13.7391 ± 0.0004 Å
• b: 11.559 ± 0.0004 Å
• c: 14.6082 ± 0.0005 Å
• α: 90°
• β: 100.743 ± 0.002°
• γ: 90°
• Cell volume: 2279.27 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0798
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No