Information card for entry 4314688

Structure parameters

• Formula: C34 H84 N12 O19 S3 V3
• Calculated formula: C34 H84 N12 O18.9999 S3 V3
• Title of publication: Oxovanadium(IV) Cyclam and Bicyclam Complexes: Potential CXCR4 Receptor Antagonists
• Authors of publication: Allison Ross; Dinesh C. Soares; Danielle Covelli; Christophe Pannecouque; Laura Budd; Anna Collins; Neil Robertson; Simon Parsons; Erik De Clercq; Pierre Kennepohl; Peter J. Sadler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1122 - 1132
• a: 25.2262 ± 0.0002 Å
• b: 25.2262 ± 0.0002 Å
• c: 15.1963 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8374.76 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9316
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No