Information card for entry 7224813

Structure parameters

• Formula: C40 H36 N8 Ni2 O4 S2
• Calculated formula: C40 H36 N8 Ni2 O4 S2
• SMILES: N(=C=S)[Ni]123([O]=CN(C)C)[n]4cccc5cccc(c45)[N]1=Cc1ccccc1[O]2[Ni]12([n]4cccc5cccc(c45)[N]1=Cc1ccccc1[O]32)(N=C=S)[O]=CN(C)C
• Title of publication: Mono- and di-nuclear nickel(II) complexes derived from NNO donor ligands: Syntheses, crystal structures and magnetic studies of dinuclear analogues
• Authors of publication: Ghorai, Pravat; Chakraborty, Anindita; Panja, Anangamohan; Mondal, Tapan K.; Saha, Amrita
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.488 ± 0.003 Å
• b: 10.734 ± 0.004 Å
• c: 11.133 ± 0.004 Å
• α: 73.787 ± 0.007°
• β: 68.999 ± 0.007°
• γ: 84.003 ± 0.007°
• Cell volume: 1016.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1338
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2514
• Weighted residual factors for all reflections included in the refinement: 0.2849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No