Information card for entry 4340171

Structure parameters

• Formula: C57.5 H58 Cl3 Cu2 N7 O12
• Calculated formula: C57.5 H55 Cl3 Cu2 N7 O12
• 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: 14.203 ± 0.001 Å
• b: 18.0006 ± 0.0005 Å
• c: 11.475 ± 0.002 Å
• α: 103.56 ± 0.02°
• β: 92.28 ± 0.02°
• γ: 80.32 ± 0.02°
• Cell volume: 2811.3 ± 0.6 ų
• Cell temperature: 153.2 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: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 2.156
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No