Information card for entry 2007865

Structure parameters

• Chemical name: Aqua(4,4'-dicarbomethoxy-2,2'-bipyridine-N,N')(3,6-dichloro-2,5- dihydroxy-1,4-benzoquinato-O,O')copper(II)-Acetonitrile Solvate
• Formula: C21 H15.5 Cl2 Cu N2.5 O9
• Calculated formula: C21 H15.5 Cl2 Cu N2.5 O9
• Title of publication: Aqua(4,4'-dicarbomethoxy-2,2'-bipyridine-<i>N</i>,<i>N</i>')(3,6-dichloro-4,5-dihydroxy-1,2-benzoquinonato-<i>O</i>^4^,<i>O</i>^5^)copper(II) Acetonitrile Hemisolvate
• Authors of publication: Zheng, Li-Min; Schmalle, Helmut W.; Ferlay, Sylvie; Decurtins, Silvio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 1578 - 1580
• a: 9.331 ± 0.004 Å
• b: 10.678 ± 0.003 Å
• c: 12.884 ± 0.003 Å
• α: 65.94 ± 0.02°
• β: 78.75 ± 0.02°
• γ: 83.8 ± 0.03°
• Cell volume: 1149.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.1666
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No