Information card for entry 7708011

Structure parameters

• Formula: C28 H82.5 Cl2 Cu4 N4 O36
• Calculated formula: C28 H82.5 Cl2 Cu4 N4 O36
• SMILES: C(C[N]12CC[O]3[Cu]2([OH]CCC1)[O]1CC[N]2(CCO)CCC[OH][Cu]12[O]1CC[N]2(CCO)CCC[OH][Cu]12[O]1CC[N]2(CCO)CCC[OH][Cu]312)O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Novel {Cu₄} and {Cu₄Cd₆} clusters derived from flexible aminoalcohols: synthesis, characterization, crystal structures, and evaluation of anticancer properties.
• Authors of publication: Iman, Khushboo; Raza, Md Kausar; Ansari, Mursaleem; Monika, ?; Ansari, Azaj; Ahmad, Musheer; Ahamad, M. Naqi; Qasem, Khalil M. A.; Hussain, Sameer; Akhtar, Muhammad Nadeem; Shahid, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 34
• Pages of publication: 11941 - 11953
• a: 16.1146 ± 0.0012 Å
• b: 16.1146 ± 0.0012 Å
• c: 44.024 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11432.2 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.1741
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No