Information card for entry 2015738

Structure parameters

• Chemical name: Bis[bis(methoxycarbimido)amine-κ^2^N,N']bis(perchlorato-κO)copper(II) bis[bis(methoxycarbimido)amine-κ^2^N,N']bis(methanol-κO)copper(II) bis(perchlorate) methanol disolvate
• Formula: C20 H52 Cl4 Cu2 N12 O28
• Calculated formula: C20 H52 Cl4 Cu2 N12 O28
• SMILES: COC1NC(=[NH][Cu]2([NH]=1)[NH]=C(NC(=[NH]2)OC)OC)OC.CO.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.CO
• Title of publication: Bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(perchlorato-κ<i>O</i>)copper(II) bis[bis(methoxycarbimido)amine-κ^2^<i>N</i>,<i>N</i>']bis(methanol-κ<i>O</i>)copper(II) bis(perchlorate) methanol disolvate
• Authors of publication: Liu, Guang-Fei; Li, Lin-Lin; Zhang,Yong; Lang, Jian-Ping; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m1 - m3
• a: 7.444 ± 0.002 Å
• b: 10.067 ± 0.002 Å
• c: 15.33 ± 0.003 Å
• α: 85.06 ± 0.03°
• β: 89.91 ± 0.03°
• γ: 80.2 ± 0.03°
• Cell volume: 1127.7 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes