Information card for entry 1544276

Structure parameters

• Chemical name: Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate
• Formula: C38 H28 Cl2 Cu N8 O4
• Calculated formula: C38 H28 Cl2 Cu N8 O4
• SMILES: [Cu]12(Cl)([n]3c(ccc4nc5c(cc34)cccc5)c3[n]1cccc3)[n]1c(ccc3nc4ccccc4cc13)c1[n]2cccc1.Cl(=O)(=O)(=O)[O-].N#CC.N#CC
• Title of publication: Chloridobis[2-(pyridin-2-yl-κ<i>N</i>)benzo[<i>b</i>][1,5]naphthyridine-κ<i>N</i>^1^]copper(II) perchlorate acetonitrile disolvate
• Authors of publication: Ohtsu, Hideki; Tezuka, Yosuke; Narita, Michitari; Tsuge, Kiyoshi; Tanaka, Koji
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 10
• Pages of publication: x161562
• a: 7.53614 ± 0.00016 Å
• b: 30.5246 ± 0.0006 Å
• c: 15.4918 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3563.7 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes