Information card for entry 2235067

Structure parameters

• Chemical name: Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-\ κ^2^<i>N</i>^2^,<i>S</i>}nickel(II)
• Formula: C38 H42 N4 Ni O2 S4
• Calculated formula: C38 H42 N4 Ni O2 S4
• SMILES: C1(=N[N](=C(C)CCc2ccc(OC)cc2)[Ni]2(S1)[N](=C(C)CCc1ccc(OC)cc1)N=C(S2)SCc1ccccc1)SCc1ccccc1
• Title of publication: Bis{benzyl 2-[4-(4-methoxyphenyl)butan-2-ylidene]hydrazinecarbodithioato-κ^2^<i>N</i>^2^,<i>S</i>}nickel(II)
• Authors of publication: Tan, Ming-Yueh; Ravoof, Thahira Begum S. A.; Tahir, Mohamed Ibrahim Mohamed; Crouse, Karen A.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: m725 - m726
• a: 24.0691 ± 0.0006 Å
• b: 12.5847 ± 0.0002 Å
• c: 12.4179 ± 0.0003 Å
• α: 90°
• β: 101.857 ± 0.002°
• γ: 90°
• Cell volume: 3681.16 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes