Information card for entry 7046438

Structure parameters

• Formula: C19 H16 B Cl3 F4 N3 O3 Re S
• Calculated formula: C19 H16 B Cl3 F4 N3 O3 Re S
• 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: 11.0109 ± 0.0008 Å
• b: 17.8468 ± 0.0013 Å
• c: 13.4164 ± 0.0009 Å
• α: 90°
• β: 111.137 ± 0.002°
• γ: 90°
• Cell volume: 2459.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No