Information card for entry 1512742

Structure parameters

• Formula: C36 H32 Cd N6 Ni2 O6
• Calculated formula: C36 H32 Cd N6 Ni2 O6
• SMILES: [Ni]123[O]4[Cd]5([O]3c3ccccc3C=[N]2CCC[N]1=Cc1c4cccc1)([O]1[Ni]23[N](=Cc4c1cccc4)CCC[N]2=Cc1ccccc1[O]53)(N=C=O)N=C=O
• 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: 9.985 ± 0.005 Å
• b: 11.982 ± 0.005 Å
• c: 13.895 ± 0.005 Å
• α: 90.774 ± 0.005°
• β: 100.15 ± 0.005°
• γ: 90.465 ± 0.005°
• Cell volume: 1636.1 ± 1.2 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: 0.0531
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No