Information card for entry 2016339

Structure parameters

• Chemical name: di-μ-chlorido-bis{[N,N'-bis(3,4-methylenedioxybenzyl)propane-1,2- diamine]chloridocopper(II)}
• Formula: C19 H22 Cl2 Cu N2 O4
• Calculated formula: C19 H22 Cl2 Cu N2 O4
• SMILES: C1C(C)[NH](Cc2cc3OCOc3cc2)[Cu]([NH]1Cc1cc2c(cc1)OCO2)(Cl)Cl
• Title of publication: The dinuclear copper(II) complexes di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(4-chlorobenzyl)propane-1,2-diamine]chloridocopper(II)} and di-μ-chlorido-bis{[<i>N</i>,<i>N</i>'-bis(3,4-methylenedioxybenzyl)propane-1,2-diamine]chloridocopper(II)}
• Authors of publication: Yang, Shu-Ping; Han, Li-Jun; Xia, Hai-Tao; Wang, Da-Qi; Liu, Yu-Fen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m610 - m614
• a: 12.2965 ± 0.0013 Å
• b: 11.0554 ± 0.0012 Å
• c: 15.822 ± 0.002 Å
• α: 90°
• β: 98.14 ± 0.002°
• γ: 90°
• Cell volume: 2129.2 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1491
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes