Information card for entry 4317628

Structure parameters

• Chemical name: [N-(2-(methylthio))salicylaldiminato](2,2'-bipyridyl)copper(II) perchlorate hemi-methanol solvate
• Formula: C24.5 H22 Cl Cu N3 O5.5 S
• Calculated formula: C24.5 H20 Cl Cu N3 O5.5 S
• Title of publication: Structural Model for the Cu BSite of Dopamine β-Hydroxylase: Crystal Structure of a Copper(II) Complex Showing N3OS Coordination with an Axial Sulfur Ligation
• Authors of publication: Bidyut K. Santra; Pattubala A. N. Reddy; Munirathinam Nethaji; Akhil R. Chakravarty
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 1328 - 1332
• a: 10.114 ± 0.002 Å
• b: 10.877 ± 0.002 Å
• c: 22.72 ± 0.008 Å
• α: 90°
• β: 101.83 ± 0.02°
• γ: 90°
• Cell volume: 2446.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No