Information card for entry 7005823

Structure parameters

• Formula: C19.5 H34 Cl2 Cu N4 O8.5
• Calculated formula: C19.5 H32 Cl2 Cu N4 O8.5
• Title of publication: Probing key coordination interactions: configurationally restricted metal activated CXCR4 antagonists.
• Authors of publication: McRobbie, Graeme; Valks, Gina C.; Empson, Christopher J.; Khan, Abid; Silversides, Jon D.; Pannecouque, Christophe; De Clercq, Erik; Fiddy, Steven G.; Bridgeman, Adam J.; Young, Nigel A.; Archibald, Stephen J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 43
• Pages of publication: 5008 - 5018
• a: 10.7155 ± 0.0008 Å
• b: 11.8759 ± 0.0008 Å
• c: 19.7818 ± 0.0015 Å
• α: 90°
• β: 94.679 ± 0.006°
• γ: 90°
• Cell volume: 2509 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0945
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No