Information card for entry 7015049

Structure parameters

• Formula: C36 H38 Cu N4 O9
• Calculated formula: C36 H38 Cu N4 O9
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)OC(=O)c1c(cccc1)C(=O)[O-].CCO.CCO.O.O.O
• Title of publication: Bis-phenanthroline copper(II) phthalate complexes are potent in vitro antitumour agents with 'self-activating' metallo-nuclease and DNA binding properties.
• Authors of publication: Kellett, Andrew; O'Connor, Mark; McCann, Malachy; McNamara, Mary; Lynch, Patrick; Rosair, Georgina; McKee, Vickie; Creaven, Bernie; Walsh, Maureen; McClean, Siobhan; Foltyn, Agnieszka; O'Shea, Denis; Howe, Orla; Devereux, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1024 - 1027
• a: 11.335 ± 0.006 Å
• b: 12.183 ± 0.006 Å
• c: 14.539 ± 0.007 Å
• α: 113.97 ± 0.02°
• β: 92.95 ± 0.03°
• γ: 108.81 ± 0.03°
• Cell volume: 1697.5 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No