Information card for entry 4338418

Structure parameters

• Chemical name: Hexadeca(2-(4-{[4-methyl-6-(1-methyl-1H-1,3-benzodiazol-2-yl)-2propyl-1H-1, 3-benzodiazol-1-yl]methyl}phenyl)benzoate)octacopper(II) tetracosahydrate
• Formula: C528 H488 Cu8 N64 O56
• Calculated formula: C528 H464 Cu8 N64 O56
• SMILES: C1(=O)c2ccccc2c2ccc(cc2)Cn2c3cc(cc(c3nc2CCC)C)c2[n]([Cu]34[n]5c(n(c6c5cccc6)C)c5cc6n(Cc7ccc(c8c(C(=O)O[Cu]9([n]%10c(n(c%11c%10cccc%11)C)c%10cc%11n(Cc%12ccc(c%13c(C(=O)O[Cu]%14([n]%15c(n(c%16c%15cccc%16)C)c%15cc%16n(Cc%17ccc(c%18c(C(=O)O9)cccc%18)cc%17)c(nc%16c(c%15)C)CCC)[n]9c(n(c%15c9cccc%15)C)c9cc%15n(Cc%16ccc(c%17c(C(=O)O[Cu]%18([n]%19c(n(c%20c%19cccc%20)C)c%19cc%20n(Cc%21ccc(c%22c(C(=O)O[Cu]%23([n]%24c(n(c%25c%24cccc%25)C)c%24cc%25n(Cc%26ccc(c%27c(C(=O)O%18)cccc%27)cc%26)c(nc%25c(c%24)C)CCC)[n]%18c(n(c%24c%18cccc%24)C)c%18cc%24n(Cc%25ccc(c%26c(C(=O)O[Cu]%27([n]%28c(n(c%29c%28cccc%29)C)c%28cc%29n(Cc%30ccc(c%31c(C(=O)O[Cu]%32(OC(=O)c%33ccccc%33c%33ccc(cc%33)Cn%33c%34cc(cc(c%34nc%33CCC)C)c%33[n]([Cu]([n]%34c(n(c%35c%34cccc%35)C)c%34cc%35n(Cc%36ccc(c%37c(C(=O)O3)cccc%37)cc%36)c(nc%35c(c%34)C)CCC)(O1)OC(=O)c1ccccc1c1ccc(cc1)Cn1c3cc(cc(c3nc1CCC)C)c1[n]%32c3ccccc3n1C)c1ccccc1n%33C)[n]1c(n(c3c1cccc3)C)c1cc3n(Cc%32ccc(c%33c(C(=O)O%27)cccc%33)cc%32)c(nc3c(c1)C)CCC)cccc%31)cc%30)c(nc%29c(c%28)C)CCC)[n]1c(n(c3c1cccc3)C)c1cc3n(Cc%27ccc(c%28c(C(=O)O%23)cccc%28)cc%27)c(nc3c(c1)C)CCC)cccc%26)cc%25)c(nc%24c(c%18)C)CCC)cccc%22)cc%21)c(nc%20c(c%19)C)CCC)[n]1c(n(c3c1cccc3)C)c1cc3n(Cc%18ccc(c%19c(C(=O)O%14)cccc%19)cc%18)c(nc3c(c1)C)CCC)cccc%17)cc%16)c(nc%15c(c9)C)CCC)cccc%13)cc%12)c(nc%11c(c%10)C)CCC)[n]1c(n(c3c1cccc3)C)c1cc3n(Cc9ccc(c%10c(C(=O)O4)cccc%10)cc9)c(nc3c(c1)C)CCC)cccc8)cc7)c(nc6c(c5)C)CCC)c1ccccc1n2C.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Antitumoral, Antihypertensive, Antimicrobial, and Antioxidant Effects of an Octanuclear Copper(II)-Telmisartan Complex with an Hydrophobic Nanometer Hole.
• Authors of publication: Islas, María S; Martínez Medina, Juan J; López Tévez, Libertad L; Rojo, Teófilo; Lezama, Luis; Griera Merino, Mercedes; Calleros, Laura; Cortes, María A; Rodriguez Puyol, Manuel; Echeverría, Gustavo A; Piro, Oscar E.; Ferrer, Evelina G.; Williams, Patricia A. M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5724 - 5737
• a: 47.335 ± 0.001 Å
• b: 47.335 ± 0.001 Å
• c: 30.894 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 69221 ± 7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.2271
• Residual factor for significantly intense reflections: 0.1833
• Weighted residual factors for significantly intense reflections: 0.4303
• Weighted residual factors for all reflections included in the refinement: 0.4757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.533
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No