Information card for entry 4310634

Structure parameters

• Formula: C50 H48 Cu2 N4 O8 S4
• Calculated formula: C50 H48 Cu2 N4 O8 S4
• Title of publication: Synthesis, Crystal Structure, and Spectroscopic Characterization of trans-Bis[(μ-1,3-bis(4-pyridyl)propane)(μ-(3-thiopheneacetate-O)) (3-thiopheneacetate-O)]dicopper(II), {[Cu2(O2CCH2C4H3S)4μ-(BPP)2]}n: From a Dinuclear Paddle-Wheel Copper(II) Unit to a 2-D Coordination Polymer Involving Monatomic Carboxylate Bridges
• Authors of publication: Maria Vanda Marinho; Maria Irene Yoshida; Kassilio J. Guedes; Klaus Krambrock; Adailton J. Bortoluzzi; Manfredo Hörner; Flávia C. Machado; Wagner M. Teles
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1539 - 1544
• a: 9.4253 ± 0.001 Å
• b: 10.9373 ± 0.001 Å
• c: 23.6378 ± 0.001 Å
• α: 90°
• β: 98.733 ± 0.004°
• γ: 90°
• Cell volume: 2408.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No