Information card for entry 7027443

Structure parameters

• Common name: {Cu[exoO~2~cyclam]}~2~Cu(ClO4)~2~2H~2~O
• Chemical name: [((1,4,8,11-tetraaza-κ^4^N)-cyclotetradecane-2,3- dione-(hydrato-/kO)copper(II))2-κ^4^O-copper(II))] bis perchlorate dihydrate
• Formula: C20 H44 Cl2 Cu3 N8 O16
• Calculated formula: C20 H38 Cl2 Cu3 N8 O14
• Title of publication: A new class of macrocycle capable of binding exogenous metals: synthesis, structure, magnetic and electrochemical properties of a Cu(II) trinuclear complex based upon 1,4,8,11-tetraazacyclotetradecane-2,3-dione [exoO2]cyclam †
• Authors of publication: Cronin, Leroy; Mount, Andrew R.; Parsons, Simon; Robertson, Neil
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 1925
• a: 8.6599 ± 0.0017 Å
• b: 16.907 ± 0.004 Å
• c: 12.784 ± 0.002 Å
• α: 90°
• β: 106.208 ± 0.019°
• γ: 90°
• Cell volume: 1797.3 ± 0.6 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No