Information card for entry 7019656

Structure parameters

• Formula: C26 H22 N3 Ni O P S
• Calculated formula: C26 H22 N3 Ni O P S
• SMILES: S1[Ni]2(Oc3ccccc3C=[N]2N=C1N)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: One pot synthesis of structurally different mono and dimeric Ni(ii) thiosemicarbazone complexes and N-arylation on a coordinated ligand: a comparative biological study.
• Authors of publication: Prabhakaran, R.; Kalaivani, P.; Poornima, P.; Dallemer, F.; Paramaguru, G.; Vijaya Padma, V.; Renganathan, R.; Huang, R.; Natarajan, K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9323 - 9336
• a: 7.5914 ± 0.0015 Å
• b: 10.2 ± 0.002 Å
• c: 16.693 ± 0.003 Å
• α: 76.83 ± 0.03°
• β: 81.44 ± 0.03°
• γ: 71.3 ± 0.03°
• Cell volume: 1188.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0327
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.705
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No