Information card for entry 8101291

Structure parameters

• Formula: C46 H64 Cl4 Cu4 N4 O14
• Calculated formula: C46 H64 Cl4 Cu4 N4 O14
• SMILES: [Cu]12345[O]6([Cu]789%10[O]=C(O[Cu]%11%12([O]=C(O1)c1ccc(Cl)cc1)([O]2([Cu]16([O]=C(O8)c2ccc(Cl)cc2)([O]9%11CC[N]1(C)C)OC(=[O]4)c1ccc(Cl)cc1)CC[N]%12(C)C)[O]37CC[N]%10(C)C)c1ccc(Cl)cc1)CC[N]5(C)C.OC.OC
• Title of publication: Crystal structure of tetrakis[μ-(4-chlorobenzoato-O,O')-μ~3~- (2-dimethylaminoethanolato)copper(II)]) dimethanol, C~46~H~64~Cl~4~Cu~4~N~4~O~14~
• Authors of publication: Turpeinen, Urho; Klinga, Martti; Mutikainen, Ilpo; Hämäläinen, Reijo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 418 - 420
• a: 14.056 ± 0.004 Å
• b: 14.704 ± 0.004 Å
• c: 15.335 ± 0.003 Å
• α: 106.27 ± 0.02°
• β: 105.76 ± 0.02°
• γ: 102.24 ± 0.02°
• Cell volume: 2782.1 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0809
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No