Information card for entry 2210829

Structure parameters

• Chemical name: Tetra-μ-acetato-bis[(9,10-dihydrobenzo[de]imidazo[2,1-a]isoquinolin-7- one-κN^11^)copper(II)]
• Formula: C36 H32 Cu2 N4 O10
• Calculated formula: C36 H32 Cu2 N4 O10
• SMILES: C12c3c4c(C(=O)N2CC[N]=1[Cu]1256[O]=C(O[Cu]1([N]1=C7c8c9c(C(=O)N7CC1)cccc9ccc8)([O]=C(O2)C)(OC(=[O]6)C)[O]=C(O5)C)C)cccc4ccc3
• Title of publication: Tetra-μ-acetato-bis[(9,10-dihydrobenzo[<i>de</i>]imidazo[2,1-<i>a</i>]isoquinolin-7-one-κ<i>N</i>^11^)copper(II)]
• Authors of publication: Jia-Min Chen; Jing-Jia Sun; Wei-Wei Huang; Yan-Ni Lao; Shi-Ping Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: m2573 - m2574
• a: 13.2944 ± 0.0012 Å
• b: 9.511 ± 0.0008 Å
• c: 14.1654 ± 0.0012 Å
• α: 90°
• β: 108.393 ± 0.002°
• γ: 90°
• Cell volume: 1699.6 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes