Information card for entry 7030526

Structure parameters

• Formula: C37 H39 Cd Cl2 N9 O8
• Calculated formula: C37 H39 Cd Cl2 N9 O8
• SMILES: [Cd]123456[n]7cccc8cccc([NH]1CC[N]2(CC[NH]3c1cccc2ccc[n]4c12)CC[NH]5c1cccc2ccc[n]6c12)c78.N#CC.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The synthesis and coordination chemistry of a tris-8-aminoquinoline tripodal ligand
• Authors of publication: Amoroso, Angelo J.; Edwards, Peter G.; Howard, Sian T.; Kariuki, Benson M.; Knight, James C.; Ooi, Liling; Malik, K. M. Abdul; Stratford, Lisa; Al-Sudani, A.-R. H.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8356 - 8362
• a: 11.5127 ± 0.0001 Å
• b: 12.0043 ± 0.0002 Å
• c: 15.6429 ± 0.0002 Å
• α: 85.2158 ± 0.0007°
• β: 86.6217 ± 0.0007°
• γ: 64.5989 ± 0.0006°
• Cell volume: 1945.44 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002368
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No