Information card for entry 7021697

Structure parameters

• Formula: C98 H78 As2 Cu2 N10 O12
• Calculated formula: C98 H78 As2 Cu2 N10 O12
• SMILES: [Cu]123[n]4c(C)ccc5c4c4[n]1c(ccc4cc5)CCCc1[n]4[Cu]5([n]6c(CCCc7[n]3c3c8[n]2c(C)ccc8ccc3cc7)ccc2c6c3[n]5c(ccc3cc2)C)[n]2c3c4c(cc1)ccc3ccc2C.[As]123(Oc4ccccc4O1)(Oc1ccccc1O2)Oc1ccccc1O3.[As]123(Oc4ccccc4O1)(Oc1ccccc1O2)Oc1ccccc1O3.N#CC.N#CC
• Title of publication: Resolution and characterization of helicate dimer and trimer complexes of 1,3-bis(9-methyl-1,10-phenanthrolin-2-yl)propane with copper(i).
• Authors of publication: Lemus, Luis; Guerrero, Juan; Costamagna, Juan; Lorca, Romina; Jara, Danilo H.; Ferraudi, Guillermo; Oliver, Allen; Lappin, A. Graham
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11426 - 11435
• a: 17.1177 ± 0.0006 Å
• b: 17.4161 ± 0.0006 Å
• c: 28.77 ± 0.0009 Å
• α: 90°
• β: 90.228 ± 0.002°
• γ: 90°
• Cell volume: 8576.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No