Information card for entry 4340173

Structure parameters

• Formula: C61 H70 Cl2 Cu2 N7 O14.5
• Calculated formula: C61 H59 Cl2 Cu2 N7 O14.5
• 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: 12.972 ± 0.001 Å
• b: 19.444 ± 0.002 Å
• c: 26.732 ± 0.003 Å
• α: 90°
• β: 95.026 ± 0.006°
• γ: 90°
• Cell volume: 6716.6 ± 1.1 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 2.119
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No