Information card for entry 2011984

Structure parameters

• Chemical name: 3,3'-[2,2'-(ethylenedioxy)dibenzylidene]bis(S-methyl dithiocarbazate) nickel(II)
• Formula: C20 H20 N4 Ni O2 S4
• Calculated formula: C20 H20 N4 Ni O2 S4
• SMILES: [Ni]123SC(SC)=N[N]2=Cc2ccccc2OCCOc2ccccc2C=[N]3N=C(S1)SC
• Title of publication: {3,3'-[2,2'-(Ethylenedioxy)dibenzylidene]bis(<i>S</i>-methyl dithiocarbazate)}nickel(II)
• Authors of publication: Wu, Jie-Ying; Chantrapromma, Suchada; Chen, Dong-Wen; Tian, Yu-Peng; Yang, Ping; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 523 - 525
• a: 11.1188 ± 0.0001 Å
• b: 7.6413 ± 0.0001 Å
• c: 27.4773 ± 0.0001 Å
• α: 90°
• β: 99.065 ± 0.001°
• γ: 90°
• Cell volume: 2305.37 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes