Information card for entry 7046437

Structure parameters

• Formula: C20 H20 B F4 N4 O3 Re
• Calculated formula: C20 H20 B F4 N4 O3 Re
• Title of publication: Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity.
• Authors of publication: Hallett, Andrew J.; Placet, Emeline; Prieux, Roxane; McCafferty, Danielle; Platts, James A.; Lloyd, David; Isaacs, Marc; Hayes, Anthony J.; Coles, Simon J.; Pitak, Mateusz B.; Marchant, Sarah; Marriott, Stephen N.; Allemann, Rudolf K.; Dervisi, Athanasia; Fallis, Ian A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 14241 - 14253
• a: 11.1861 ± 0.0006 Å
• b: 12.232 ± 0.0005 Å
• c: 16.1257 ± 0.0011 Å
• α: 90°
• β: 95.466 ± 0.007°
• γ: 90°
• Cell volume: 2196.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0219
• Residual factor for significantly intense reflections: 0.0201
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No