Information card for entry 7019113

Structure parameters

• Formula: C34 H25 N2 Ni O3 P
• Calculated formula: C34 H25 N2 Ni O3 P
• SMILES: [Ni]12(OC(=N[N]2=Cc2c(O1)ccc1ccccc21)c1occc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Variation in the biomolecular interactions of nickel(ii) hydrazone complexes upon tuning the hydrazide fragment.
• Authors of publication: Krishnamoorthy, Paramasivam; Sathyadevi, Palanisamy; Butorac, Rachel R.; Cowley, Alan H.; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 22
• Pages of publication: 6842 - 6854
• a: 10.379 ± 0.002 Å
• b: 14.886 ± 0.003 Å
• c: 19.785 ± 0.006 Å
• α: 90°
• β: 116.6 ± 0.02°
• γ: 90°
• Cell volume: 2733.3 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1854
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.503
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No