Information card for entry 7710387

Structure parameters

• Common name: 3
• Chemical name: [Co(AEž5-C5H5)2][Ni(L2)]
• Formula: C42 H44 Co N3 Ni O2
• Calculated formula: C42 H44 Co N3 Ni O2
• SMILES: [Ni]123N(C(=O)c4[n]2cccc4)c2c(N3c3cc(C(C)(C)C)cc(C(C)(C)C)c3O1)cccc2.[Co]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]7[cH]8[cH]61.c1ccccc1
• Title of publication: Ni(ii) complexes of a new tetradentate NN′N′′O picolinoyl-1,2-phenylenediamide-phenolate redox-active ligand at different redox levels
• Authors of publication: Mukhopadhyay, Narottam; Sengupta, Arunava; Vijay, Aswin Kottapurath; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.6611 ± 0.0009 Å
• b: 17.4758 ± 0.0015 Å
• c: 19.0544 ± 0.0017 Å
• α: 85.954 ± 0.002°
• β: 81.575 ± 0.003°
• γ: 89.811 ± 0.003°
• Cell volume: 3502.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.0438
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No