Information card for entry 7004567

Structure parameters

• Formula: C27 H36 Cu N2 O2
• Calculated formula: C27 H36 Cu N2 O2
• SMILES: [Cu]12([O]=C(O1)C)[N](=C(C=C(N2c1c(cccc1CC)CC)C)C)c1c(cccc1CC)CC
• Title of publication: Reaction of β-diketiminate copper(ii) complexes and Na2S2
• Authors of publication: Inosako, Masayuki; Kunishita, Atsushi; Shimokawa, Chizu; Teraoka, Junji; Kubo, Minoru; Ogura, Takashi; Sugimoto, Hideki; Itoh, Shinobu
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 44
• Pages of publication: 6250 - 6256
• a: 8.015 ± 0.006 Å
• b: 8.546 ± 0.007 Å
• c: 19.929 ± 0.017 Å
• α: 88.52 ± 0.02°
• β: 83.23 ± 0.02°
• γ: 67.57 ± 0.018°
• Cell volume: 1252.7 ± 1.8 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0866
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No