Information card for entry 2218325

Structure parameters

• Chemical name: Bis[1,5-bis(1<i>H</i>-indol-3-ylmethylene)thiocarbazonato- κ^2^<i>N</i>,<i>S</i>]nickel(II) dimethyl sulfoxide disolvate
• Formula: C42 H42 N12 Ni O2 S4
• Calculated formula: C42 H42 N12 Ni O2 S4
• SMILES: c1c(c2c(cccc2)[nH]1)C=NNC1=N[N](=Cc2c[nH]c3ccccc23)[Ni]2(S1)[N](N=C(NN=Cc1c[nH]c3ccccc13)S2)=Cc1c[nH]c2ccccc12.O=S(C)C.O=S(C)C
• Title of publication: Bis[1,5-bis(1<i>H</i>-indol-3-ylmethylene)thiocarbazonato-κ^2^<i>N</i>,<i>S</i>]nickel(II) dimethyl sulfoxide disolvate
• Authors of publication: Rizal, Mohd. Razali; Ali, Hapipah M.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m755
• a: 19.034 ± 0.0005 Å
• b: 9.1982 ± 0.0003 Å
• c: 25.1374 ± 0.0007 Å
• α: 90°
• β: 95.672 ± 0.002°
• γ: 90°
• Cell volume: 4379.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0969
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1088
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes