Information card for entry 7019658

Structure parameters

• Formula: C32 H26 N3 Ni O P S
• Calculated formula: C32 H26 N3 Ni O P S
• SMILES: c12ccccc1C=[N]1N=C(Nc3ccccc3)S[Ni]1(O2)[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: 9.4975 ± 0.0002 Å
• b: 10.571 ± 0.0002 Å
• c: 13.8196 ± 0.0004 Å
• α: 90°
• β: 92.473 ± 0.001°
• γ: 90°
• Cell volume: 1386.17 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No