Information card for entry 7050536

Structure parameters

• Formula: C24 H36 Cl Cu2 N7 O9
• Calculated formula: C24 H36 Cl Cu2 N7 O9
• SMILES: [Cu]1234([N](CC[N]4(C)C)=Cc4cccc5[O]([Cu]671(Oc1c(OC)cccc1C=[N]7CC[N]6(C)C)([O]2c45)[N]3=N#N)C)[OH2].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: 16.6748 ± 0.0004 Å
• b: 13.3188 ± 0.0003 Å
• c: 14.0639 ± 0.0004 Å
• α: 90°
• β: 104.699 ± 0.001°
• γ: 90°
• Cell volume: 3021.21 ± 0.13 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: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No