Information card for entry 4331835

Structure parameters

• Formula: C26.5 H70 Cl4 Cu4 N8 O26.5
• Calculated formula: C26.5 H60 Cl4 Cu4 N8 O26.5
• Title of publication: Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes
• Authors of publication: Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 7
• Pages of publication: 2886 - 2895
• a: 10.631 ± 0.0002 Å
• b: 25.6433 ± 0.0004 Å
• c: 19.6386 ± 0.0004 Å
• α: 90°
• β: 102.003 ± 0.001°
• γ: 90°
• Cell volume: 5236.71 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1239
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No