Information card for entry 2234490

Structure parameters

• Chemical name: Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~- <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine- κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]
• Formula: C58 H52 Cl4 Cu4 N2 P4
• Calculated formula: C58 H52 Cl4 Cu4 N2 P4
• SMILES: [Cu]123[Cl]([Cu]([Cl]1)[P](CN1c4ccc(N(C[P]2(c2ccccc2)c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Cu]2[Cl]5[Cu]([Cl]2)([P](C1)(c1ccccc1)c1ccccc1)[Cl]1[Cu]5([Cl][Cu]12)[P](CN(c1ccc(cc1)N(C[P]2(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)CP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc4)(c1ccccc1)c1ccccc1)[Cu]1[Cl]3[Cu][Cl]1
• Title of publication: Poly[di-μ~3~-chlorido-di-μ~2~-chlorido-{μ~4~-<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetrakis[(diphenylphosphanyl)methyl]benzene-1,4-diamine-κ^4^<i>P</i>:<i>P</i>':<i>P</i>'':<i>P</i>'''}tetracopper(II)]
• Authors of publication: Liu, Jia-Qin; Zhang, Yan; Lü, Ya-Jing; Jiang, Zhen-Jü
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m430
• a: 10.298 ± 0.007 Å
• b: 17.649 ± 0.012 Å
• c: 18.009 ± 0.009 Å
• α: 90°
• β: 123.94 ± 0.03°
• γ: 90°
• Cell volume: 2715 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1079
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes