Information card for entry 4078968

Structure parameters

• Formula: C25 H25 B F4 N4 O6.5 Re
• Calculated formula: C25 H24 B F4 N4 O6.5 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])[n]1ccc(cc1)C(=O)N[C@H](C(=O)OC)C(C)C.[B](F)(F)(F)[F-].O
• Title of publication: Bioconjugated Rhenium(I) Complexes with Amino Acid Derivatives: Synthesis, Photophysical Properties, and Cell Imaging Studies
• Authors of publication: Fernández-Moreira, Vanesa; Ortego, M. Lourdes; Williams, Catrin F.; Coogan, Michael P.; Villacampa, M. Dolores; Gimeno, M. Concepción
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 16
• Pages of publication: 5950
• a: 8.88 ± 0.0018 Å
• b: 24.12 ± 0.005 Å
• c: 13.24 ± 0.003 Å
• α: 90°
• β: 96.9 ± 0.03°
• γ: 90°
• Cell volume: 2815.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No