Information card for entry 4326870

Structure parameters

• Formula: C24 H36 N6 Ni O10
• Calculated formula: C24 H36 N6 Ni O10
• SMILES: [Ni]12([n]3c[nH]cc3)([NH2][C@H](C(=O)O1)Cc1ccc(cc1)O)([NH2][C@H](C(=O)O2)Cc1ccc(cc1)O)[n]1c[nH]cc1.O.O.O.O
• Title of publication: Synthesis, Crystal Structure, Spectroscopic, Magnetic, Theoretical, and Microbiological Studies of a Nickel(II) Complex ofl-Tyrosine and Imidazole, [Ni(Im)2(l-tyr)2].4H2O
• Authors of publication: Agnieszka Wojciechowska; Marek Daszkiewicz; Zbigniew Staszak; Agnieszka Trusz-Zdybek; Alina Bieńko; Andrzej Ozarowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11532 - 11542
• a: 9.3901 ± 0.0001 Å
• b: 9.3901 ± 0.0001 Å
• c: 32.1248 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2832.57 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No