Information card for entry 7054816

Structure parameters

• Formula: C30 H26 N3 Ni O P S3
• Calculated formula: C30 H26 N3 Ni O P S3
• SMILES: C(=N[Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[S]=C(N(Cc2occc2)Cc2ccc[nH]2)S1)=S
• Title of publication: Nickel(ii) dithiocarbamate complexes containing the pyrrole moiety for sensing anions and synthesis of nickel sulfide and nickel oxide nanoparticles
• Authors of publication: Sathiyaraj, Ethiraj; Gurumoorthy, Govindasamy; Thirumaran, Subbiah
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5336
• a: 9.9973 ± 0.0002 Å
• b: 12.1216 ± 0.0002 Å
• c: 13.5814 ± 0.0003 Å
• α: 96.247 ± 0.001°
• β: 105.047 ± 0.001°
• γ: 108.529 ± 0.001°
• Cell volume: 1473.76 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No