Information card for entry 2004904

Structure parameters

• Chemical name: Bis(S-methyl-β-N-(4-methoxyphenyl)methylendithiocarbazide) nickel(II).
• Formula: C20 H22 N4 Ni O2 S4
• Calculated formula: C20 H22 N4 Ni O2 S4
• SMILES: [Ni]12([N](N=C(S1)SC)=Cc1ccc(OC)cc1)[N](N=C(S2)SC)=Cc1ccc(OC)cc1
• Title of publication: Bis[methyl <i>N</i>^{β^}-(4-methoxyphenylmethylene)dithiocarbazato]nickel(II)
• Authors of publication: Fun, H.-K.; Sivakumar, K.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1143 - 1145
• a: 8.601 ± 0.001 Å
• b: 8.768 ± 0.001 Å
• c: 15.008 ± 0.002 Å
• α: 89.32 ± 0.01°
• β: 83.97 ± 0.01°
• γ: 81.22 ± 0.01°
• Cell volume: 1112.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0367
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.0914
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No