Information card for entry 7210488

Structure parameters

• Formula: C26 H44 Cl2 Cu2 N10 O20
• Calculated formula: C26 H44 Cl2 Cu2 N10 O20
• SMILES: [Cu]12(Cl)(Oc3c(cc(cc3)N(=O)=O)C=[N]1[C@H](C(=O)O2)CCCNC(=[NH2+])N)[OH2].O.[Cu]12(Oc3c(cc(cc3)N(=O)=O)C=[N]1[C@H](C(=O)O2)CCCNC(=[NH2+])N)([OH2])[OH2].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Supramolecular assembly of a new series of copper-l-arginine Schiff bases
• Authors of publication: New, Siu Yee; Thio, Yude; Koh, Lip Lin; Andy Hor, T. S.; Xue, Feng
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2114
• a: 8.2119 ± 0.0008 Å
• b: 8.7239 ± 0.0009 Å
• c: 14.2024 ± 0.0014 Å
• α: 90.923 ± 0.002°
• β: 96.679 ± 0.002°
• γ: 99.903 ± 0.002°
• Cell volume: 994.82 ± 0.17 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No