Information card for entry 7015050

Structure parameters

• Formula: C34.5 H38 Cu N4 O10.5
• Calculated formula: C34.5 H38 Cu N4 O10.5
• 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: 10.9068 ± 0.0007 Å
• b: 11.8165 ± 0.0008 Å
• c: 14.7457 ± 0.001 Å
• α: 74.65 ± 0.004°
• β: 79.904 ± 0.003°
• γ: 68.909 ± 0.002°
• Cell volume: 1703.1 ± 0.2 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: 0.0477
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No