Information card for entry 7005540

Structure parameters

• Formula: C19 H37 Cl Cu N4 O9
• Calculated formula: C19 H37 Cl Cu N4 O9
• SMILES: [Cu]12345OC(=O)CC[N]62CC[N]23CCC[N]4(CCC(=[O]1)O)CC[N]5(CCC6)CC2.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: The long and short of it: the influence of N-carboxyethyl versusN-carboxymethyl pendant arms on in vitro and in vivo behavior of copper complexes of cross-bridged tetraamine macrocycles.
• Authors of publication: Heroux, Katie J.; Woodin, Katrina S.; Tranchemontagne, David J.; Widger, Peter C. B.; Southwick, Evan; Wong, Edward H.; Weisman, Gary R.; Tomellini, Sterling A.; Wadas, Thaddeus J.; Anderson, Carolyn J.; Kassel, Scott; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 21
• Pages of publication: 2150 - 2162
• a: 27.6657 ± 0.0019 Å
• b: 7.9539 ± 0.0006 Å
• c: 10.7296 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2361.1 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No