Information card for entry 7021699

Structure parameters

• Formula: C141 H114 As3 Cu3 N12 O21
• Calculated formula: C141 H108 As3 Cu3 N12 O21
• SMILES: [Cu]123[n]4c(ccc5c4c4[n]1c(ccc4cc5)CCCc1[n]4[Cu]5([n]6c7c4c(cc1)ccc7ccc6C)[n]1c(ccc4c1c1[n]5c(ccc1cc4)CCCc1[n]4[Cu]5([n]6c7c4c(cc1)ccc7ccc6C)[n]1c(ccc4c1c1[n]5c(ccc1cc4)CCCc1[n]2c2c(cc1)ccc1c2[n]3c(cc1)C)C)C)C.[As]123(Oc4c(O1)cccc4)(Oc1ccccc1O2)Oc1ccccc1O3.[As]123(Oc4c(O1)cccc4)(Oc1ccccc1O2)Oc1ccccc1O3.[As]123(Oc4ccccc4O1)(Oc1ccccc1O2)Oc1ccccc1O3.O.O.O
• 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: 20.9348 ± 0.0006 Å
• b: 17.0379 ± 0.0005 Å
• c: 58.1561 ± 0.0017 Å
• α: 90°
• β: 98.473 ± 0.002°
• γ: 90°
• Cell volume: 20517 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1589
• Residual factor for significantly intense reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.2793
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No