Information card for entry 7153381

Structure parameters

• Common name: rhenium cyclohexanol ester
• Chemical name: rhenium cyclohexanol ester
• Formula: C25 H23 B F4 N3 O5 Re
• Calculated formula: C25 H23 B F4 N3 O5 Re
• SMILES: [Re]1([n]2cccc(c2)C(=O)OC2CCCCC2)([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments.
• Authors of publication: Fernández-Moreira, Vanesa; Thorp-Greenwood, Flora L; Amoroso, Angelo J.; Cable, Joanne; Court, Jonathan B.; Gray, Victoria; Hayes, Anthony J.; Jenkins, Robert L.; Kariuki, Benson M.; Lloyd, David; Millet, Coralie O.; Williams, Catrin Ff; Coogan, Michael P.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2010
• Journal volume: 8
• Journal issue: 17
• Pages of publication: 3888 - 3901
• a: 16.742 ± 0.0003 Å
• b: 12.498 ± 0.0004 Å
• c: 12.076 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2526.8 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No