Information card for entry 7011258

Structure parameters

• Formula: C10 H24 Br4 Cu2 N4
• Calculated formula: C10 H24 Br4 Cu2 N4
• SMILES: [Cu]12([Br][Cu]3([Br]1)(Br)[NH]1CC[NH]3CCC1)(Br)[NH]1CC[NH]2CCC1
• Title of publication: Exchange interactions in a one-dimensional bromo-bridged copper(II) compound with a ladder-like structure
• Authors of publication: Saugata Sain; Tapas Kumar Maji; Debasis Das; Jack Cheng; Tian-Huey Lu; Joan Ribas; M. Salah El Fallah; Nirmalendu Ray Chaudhuri
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1302 - 1306
• a: 13.8176 ± 0.0016 Å
• b: 11.4131 ± 0.0013 Å
• c: 13.3206 ± 0.0015 Å
• α: 90°
• β: 115.157 ± 0.002°
• γ: 90°
• Cell volume: 1901.4 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No