Information card for entry 1550597

Structure parameters

• Formula: C6 H20 Cl2 Cu N4 O
• Calculated formula: C6 H20 Cl2 Cu N4 O
• SMILES: C1C[NH]2CC[NH]3CC[NH2][Cu]23(Cl)[NH2]1.[Cl-].O
• Title of publication: Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes.
• Authors of publication: Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James
• Journal of publication: Metallomics : integrated biometal science
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 3
• Pages of publication: 565 - 575
• a: 7.0684 ± 0.0002 Å
• b: 10.5124 ± 0.0004 Å
• c: 16.554 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1230.06 ± 0.07 ų
• Cell temperature: 143 ± 0.1 K
• Ambient diffraction temperature: 143 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No