Information card for entry 2212769

Structure parameters

• Chemical name: Bis[μ~2~-bis(salicylidene)propane-1,3-diaminato- κ^4^O,N,N',O':κ^2^O,O']bis(μ~2~-nitrato-κO:κO')tricopper(II)
• Formula: C34 H32 Cu3 N6 O10
• Calculated formula: C34 H32 Cu3 N6 O10
• SMILES: C1CC[N]2=Cc3c([O]4[Cu]562[N]1=Cc1c(cccc1)[O]6[Cu]124(ON(=O)=[O][Cu]467[N](=Cc8c(cccc8)[O]16)CCC[N]4=Cc1c([O]27)cccc1)[O]=N(O5)=O)cccc3
• Title of publication: Bis[μ~2~-bis(salicylidene)propane-1,3-diaminato-κ^4^<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>':κ^2^<i>O</i>,<i>O</i>']bis(μ~2~-nitrato-κ<i>O</i>:κ<i>O</i>')tricopper(II)
• Authors of publication: Yun-Feng Feng; Hong-Yan Wu; Bao-Lin Zhu; Shu-Rong Wang; Wei-Ping Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1107 - m1108
• a: 8.897 ± 0.003 Å
• b: 11.658 ± 0.003 Å
• c: 16.107 ± 0.005 Å
• α: 90°
• β: 101.038 ± 0.005°
• γ: 90°
• Cell volume: 1639.7 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes