Information card for entry 7001760

Structure parameters

• Formula: C44 H54 Cl2 Cu2 N2 O6 S4
• Calculated formula: C44 H54 Cl2 Cu2 N2 O6 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: 9.7044 ± 0.0011 Å
• b: 10.1375 ± 0.0011 Å
• c: 12.7131 ± 0.0014 Å
• α: 104.412 ± 0.002°
• β: 99.681 ± 0.002°
• γ: 94.493 ± 0.002°
• Cell volume: 1184.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No