Information card for entry 7050535

Structure parameters

• Formula: C25 H36 Cl Cu2 N5 O10
• Calculated formula: C25 H36 Cl Cu2 N5 O10
• SMILES: [Cu]123([N](CC[N]3(C)C)=Cc3cccc4[O]([Cu]561(Oc1c(OC)cccc1C=[N]6CC[N]5(C)C)[O]2c34)C)([OH2])N=C=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: First report of singly phenoxo-bridged copper(ii) dimeric complexes: synthesis, crystal structure and low-temperature magnetic behaviour studyElectronic supplementary information (ESI) available: structural data for compounds 1, 3, 2. See http://www.rsc.org/suppdata/nj/b3/b300217a/
• Authors of publication: Choudhury, Chirantan Roy; Dey, Subrata Kumar; Karmakar, Ruma; Wu, Chuan-De; Lu, Can-Zhong; El Fallah, M. Salah; Mitra, Samiran
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 1360
• a: 16.738 ± 0.001 Å
• b: 13.286 ± 0.001 Å
• c: 14.082 ± 0.001 Å
• α: 90°
• β: 104.88°
• γ: 90°
• Cell volume: 3026.6 ± 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 significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1247
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No