Information card for entry 2006435

Structure parameters

• Formula: C40 H52 Cl4 Cu2 N4 O4
• Calculated formula: C40 H52 Cl4 Cu2 N4 O4
• SMILES: C1CCOc2c(C[NH]3[Cu]4([Cl][Cu]5([NH]6Cc7c(OCCCOc8c(C[NH]5CCC6)cccc8)cccc7)([Cl]4)Cl)([NH](Cc4c(O1)cccc4)CCC3)Cl)cccc2
• Title of publication: Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]
• Authors of publication: Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1020 - 1022
• a: 7.529 ± 0.002 Å
• b: 13.278 ± 0.002 Å
• c: 20.457 ± 0.003 Å
• α: 90°
• β: 92.14 ± 0.02°
• γ: 90°
• Cell volume: 2043.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0724
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for all reflections: 0.0996
• Weighted residual factors for significantly intense reflections: 0.0893
• Goodness-of-fit parameter for all reflections: 1.062
• Goodness-of-fit parameter for significantly intense reflections: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No