Information card for entry 7024680

Structure parameters

• Formula: C50 H70 Cu2 N2 O10
• Calculated formula: C50 H70 Cu2 N2 O10
• SMILES: CC(C)(C)C1=CC2c3cc(ccc3)C3=[O][Cu]4([N]5(CCOCC5)C)(OC(=CC(c5cc(ccc5)C5=[O][Cu](O1)([O]=2)([N]1(CCOCC1)C)OC(=C5)C(C)(C)C)=[O]4)C(C)(C)C)OC(=C3)C(C)(C)C
• Title of publication: New discrete and polymeric supramolecular architectures derived from dinuclear Co(II), Ni(II) and Cu(II) complexes of aryl-linked bis-beta-diketonato ligands and nitrogen bases: synthetic, structural and high pressure studies.
• Authors of publication: Clegg, Jack K.; Hayter, Michael J.; Jolliffe, Katrina A.; Lindoy, Leonard F.; McMurtrie, John C.; Meehan, George V.; Neville, Suzanne M.; Parsons, Simon; Tasker, Peter A.; Turner, Peter; White, Fraser J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 2804 - 2815
• a: 6.9932 ± 0.0005 Å
• b: 11.2678 ± 0.0009 Å
• c: 16.4656 ± 0.0014 Å
• α: 83.877 ± 0.007°
• β: 84.62 ± 0.005°
• γ: 73.405 ± 0.006°
• Cell volume: 1233.59 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No