Information card for entry 7030161

Structure parameters

• Formula: C22 H34 Cl2 Cu2 N4 O2
• Calculated formula: C22 H34 Cl2 Cu2 N4 O2
• SMILES: C1[N](C)(C)[Cu]23(Cl)[O]4[Cu]5(Cl)([NH](Cc6c4cccc6)CC[N]5(C)C)[O]3c3ccccc3C[NH]2C1
• Title of publication: Cis-trans isomerism in diphenoxido bridged dicopper complexes: role of crystallized water to stabilize the cis isomer, variation in magnetic properties and conversion of both into a trinuclear species.
• Authors of publication: Biswas, Apurba; Drew, Michael G. B.; Diaz, Carmen; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 39
• Pages of publication: 12200 - 12212
• a: 11.8586 ± 0.0015 Å
• b: 11.8952 ± 0.0007 Å
• c: 18.792 ± 0.0015 Å
• α: 90°
• β: 107.42 ± 0.014°
• γ: 90°
• Cell volume: 2529.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No