Information card for entry 2202122

Structure parameters

• Chemical name: Di-μ~3~-bromo-dibromotetrakis[μ-diphenyl(2-pyridyl)phosphine)]tetracopper(I) hexakisdichloromethane solvate
• Formula: C74 H68 Br4 Cl12 Cu4 N4 P4
• Calculated formula: C74 H68 Br4 Cl12 Cu4 N4 P4
• SMILES: c12cccc[n]1[Cu]134[P](c5[n](cccc5)[Cu]1([P]2(c1ccccc1)c1ccccc1)([Br]3[Cu]123[n]5c(cccc5)[P](c5ccccc5)(c5ccccc5)[Cu]3([n]3c([P]1(c1ccccc1)c1ccccc1)cccc3)([Br]42)Br)Br)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Di-μ~3~-bromo-dibromotetrakis[μ-diphenyl(2-pyridyl)phosphine)]tetracopper(I) dichloromethane hexasolvate
• Authors of publication: Zhou, Jian-Liang; Li, Yi-Zhi; Zheng, He-Gen; Xin, Xin-Quan; Xu, Lin-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: m176 - m178
• a: 13.818 ± 0.001 Å
• b: 17.793 ± 0.002 Å
• c: 19.292 ± 0.002 Å
• α: 90°
• β: 104.85 ± 0.01°
• γ: 90°
• Cell volume: 4584.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.1548
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes