Information card for entry 8101437

Structure parameters

• Formula: C14 H19 Cu N3 O3 S
• Calculated formula: C14 H19 Cu N3 O3 S
• SMILES: [Cu]12([N](=Cc3c(O1)cccc3)C(C(=O)O2)(C)C)[S]=C(N)NCC
• Title of publication: Crystal structure of (N-ethylthiourea-S)(2,2-dimethyl-N-salicylideneglycinato- O,N,O')copper(II), C~14~H~19~CuN~3~O~3~S
• Authors of publication: Warda, Salam A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 1
• Pages of publication: 74 - 76
• a: 10.1828 ± 0.001 Å
• b: 40.6683 ± 0.001 Å
• c: 13.2016 ± 0.001 Å
• α: 90°
• β: 109.817 ± 0.01°
• γ: 90°
• Cell volume: 5143.3 ± 0.7 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0494
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No