Information card for entry 7008916

Structure parameters

• Formula: C31 H44 N Ni P S
• Calculated formula: C31 H44 N Ni P S
• SMILES: [Ni]1234(Sc5ccc(/N=C/c6ccc(cc6)C)cc5)([P](CCCC)(CCCC)CCCC)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Synthesis and characterisation of thiolato Schiff base nickel(II) complexes. X-Ray structures of Ni(η5-C5H5)(PPh3)(SC6H4NCHC6H4Br-4') and Ni(η5-C5H5)(PBu3)(SC6H4NCHC6H4CH3-4') ‡
• Authors of publication: Nevondo, Funzani A.; Crouch, Andrew M.; Darkwa, James
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 1
• Pages of publication: 43
• a: 10.809 ± 0.0003 Å
• b: 10.916 ± 0.0004 Å
• c: 14.43 ± 0.0006 Å
• α: 80.813 ± 0.002°
• β: 73.796 ± 0.002°
• γ: 68.446 ± 0.002°
• Cell volume: 1517.53 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 207 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: 0.0765
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1727
• Weighted residual factors for all reflections included in the refinement: 0.1852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No