Information card for entry 8105515

Structure parameters

• Formula: C26 H36 N6 O2 S2 Zn
• Calculated formula: C26 H36 N6 O2 S2 Zn
• SMILES: [Zn]12(SC(=N[N]1=C(C)CCc1ccc(OC)cc1)NC)SC(=N[N]2=C(C)CCc1ccc(OC)cc1)NC
• Title of publication: Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn
• Authors of publication: Tan, Ming Yueh; Kwong, Huey Chong; Crouse, Karen A.; Ravoof, Thahira B.S.A.; Tiekink, Edward R.T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1539 - 1541
• a: 9.1777 ± 0.0005 Å
• b: 12.3828 ± 0.0007 Å
• c: 13.3137 ± 0.0007 Å
• α: 102.157 ± 0.005°
• β: 101.395 ± 0.004°
• γ: 100.771 ± 0.004°
• Cell volume: 1408.14 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No