Information card for entry 4340170

Structure parameters

• Formula: C56 H63 Cl8 Cu2 N7 O12
• Calculated formula: C56 H63 Cl8 Cu2 N7 O12
• SMILES: [Cu]123([OH][Cu]45([O]=C(O1)C1(C)C[C@]6(C(=O)N(C(=O)[C@](C)(C6)C1)c1cc(N6C(=O)[C@@]7(C)CC(C(=[O]2)O4)(C)C[C@](C6=O)(C)C7)c(cc1C)C)C)[n]1ccccc1c1[n]5cccc1)[n]1ccccc1c1[n]3cccc1.ClCCl.ClCCl.ClCCl.ClCCl.O=N(=O)[O-]
• Title of publication: Dinuclear copper(II) complexes with {Cu2(mu-hydroxo)bis(mu-carboxylato)}+ cores and their reactions with sugar phosphate esters: A substrate binding model of fructose-1,6-bisphosphatase.
• Authors of publication: Kato, Merii; Tanase, Tomoaki; Mikuriya, Masahiro
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2925 - 2941
• a: 15.183 ± 0.004 Å
• b: 18.529 ± 0.007 Å
• c: 11.838 ± 0.004 Å
• α: 101.53 ± 0.03°
• β: 103.25 ± 0.03°
• γ: 94.61 ± 0.03°
• Cell volume: 3148.3 ± 1.9 ų
• Cell temperature: 154.2 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 significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 2.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No