Information card for entry 1512743

Structure parameters

• Formula: C34 H32 Cd N10 Ni2 O4
• Calculated formula: C34 H32 Cd N10 Ni2 O4
• SMILES: N#N=N[Cd]12(N=N#N)([O]3[Ni]45[O]1c1ccccc1C=[N]4CCC[N]5=Cc1c3cccc1)[O]1[Ni]34[O]2c2ccccc2C=[N]3CCC[N]4=Cc2c1cccc2
• Title of publication: Hetero-metallic trinuclear nickel(II)-cadmium(II) complexes of a salicylaldimine ligand with thiocyanate, cyanate and azide ions: Isolation of a pair of polymorphs with thiocyanate ion
• Authors of publication: Lakshmi Kanta Das; Michael G.B. Drew; Ashutosh Ghosh
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 247 - 254
• a: 9.8995 ± 0.0004 Å
• b: 12.0305 ± 0.0006 Å
• c: 14.0228 ± 0.0006 Å
• α: 89.238 ± 0.002°
• β: 79.42 ± 0.002°
• γ: 89.455 ± 0.002°
• Cell volume: 1641.48 ± 0.13 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: 0.0838
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No