Information card for entry 7001761

Structure parameters

• Formula: C40 H50 Cu4 I4 N2 O4 S4
• Calculated formula: C40 H50 Cu4 I4 N2 O4 S4
• Title of publication: Supramolecular copper(I) halide complexes of O2S2X (X = S, O and NH) macrocycles exhibiting dinuclear, 1D- and 2D-coordination polymeric structures
• Authors of publication: Jo, Minhye; Seo, Joobeom; Lindoy, Leonard F.; Sung Lee, Shim
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6096
• a: 14.1994 ± 0.0013 Å
• b: 19.6855 ± 0.0017 Å
• c: 24.487 ± 0.002 Å
• α: 90°
• β: 106.85°
• γ: 90°
• Cell volume: 6550.8 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No