Information card for entry 4080812

Structure parameters

• Chemical name: tetra(mu~2~-bromo)bis(N,N,N-tris[2-(dimethylstibanyl)benzyl]azane)- tetracopper(I) dichloromethane solvate
• Formula: C58 H80 Br4 Cl8 Cu4 N2 Sb6
• Calculated formula: C58 H80 Br4 Cl8 Cu4 N2 Sb6
• SMILES: C[Sb]1(C)c2ccccc2CN2Cc3c([Sb](C)(C)[Cu]1([Br][Cu]14[Br][Cu]4([Br][Cu]45[Sb](C)(C)c6ccccc6CN(Cc6c(cccc6)[Sb]4(C)C)Cc4c(cccc4)[Sb]5(C)C)[Br]1)[Sb](C)(c1ccccc1C2)C)cccc3.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Reactions of a Hybrid Tristibine Ligand
• Authors of publication: Benjamin, Sophie L.; Levason, William; Reid, Gillian
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2760
• a: 11.755 ± 0.003 Å
• b: 12.875 ± 0.004 Å
• c: 13.094 ± 0.005 Å
• α: 100.987 ± 0.007°
• β: 93.589 ± 0.007°
• γ: 101.211 ± 0.007°
• Cell volume: 1898 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No