Information card for entry 7023191

Structure parameters

• Formula: C28 H29 Cl2 Cu N7 O10 S
• Calculated formula: C28 H29 Cl2 Cu N7 O10 S
• Title of publication: Synthesis, characterisation and evaluation of a novel copper-64 complex with selective uptake in EMT-6 cells under hypoxic conditions.
• Authors of publication: Knight, James C.; Wuest, Melinda; Saad, Fawaz A.; Wang, Monica; Chapman, David W.; Jans, Hans-Soenke; Lapi, Suzanne E.; Kariuki, Benson M.; Amoroso, Angelo J.; Wuest, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 33
• Pages of publication: 12005 - 12014
• a: 10.0397 ± 0.0009 Å
• b: 12.7362 ± 0.0009 Å
• c: 13.7012 ± 0.001 Å
• α: 96.995 ± 0.005°
• β: 90.82 ± 0.004°
• γ: 110.356 ± 0.004°
• Cell volume: 1627.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No