Information card for entry 7012058

Structure parameters

• Chemical name: Di-tetraphenylphosphonium [bis(pyridyl-2,6-dihydroxamate(2-)) nickelate(II)] heptahydrate
• Formula: C62 H64 N6 Ni O15 P2
• Calculated formula: C62 H64 N6 Ni O15 P2
• SMILES: [Ni]1234(N(O)C(=O)c5[n]1c(ccc5)C(=O)N2O)N(O)C(=O)c1[n]3c(C(=O)N4O)ccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O.O.O
• Title of publication: Pyridine-2,6-dihydroxamic acid, a powerful dihydroxamate ligand for Ni2+ and Cu2+ ions
• Authors of publication: Jolanta Świątek-Kozłowska; Elzbieta Gumienna-Kontecka; Agnieszka Dobosz; Irina A. Golenya; Igor O. Fritsky
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4639 - 4643
• a: 14.2 ± 0.003 Å
• b: 14.412 ± 0.003 Å
• c: 15.629 ± 0.003 Å
• α: 108.05 ± 0.03°
• β: 98.06 ± 0.03°
• γ: 98.03 ± 0.03°
• Cell volume: 2953.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0491
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No