Information card for entry 7058393

Structure parameters

• Formula: C20 H49 Cu5 N4 Na4 O31.5 P4
• Calculated formula: C20 H49 Cu5 N4 Na4 O31.5 P4
• SMILES: [Na+].O.[Na+].O.C(=O)(C)[O-].O.O.[Na+].O.[Na+].O.O.O(P1(=O)O[Cu]23[N]4[O]5[Cu]6(OP(=O)(OCC)CC7[O][Cu]89OP(=O)(OCC)CC%10O[Cu]%11%12OP(=O)(OCC)CC(O3)=[N]%11[O]2[Cu]5([O]9[N]6=7)(OC(=O)C)[O]%12[N]8=%10)OC=4C1)CC
• Title of publication: Complex formation of copper(ii), nickel(ii) and zinc(ii) with ethylophosphonoacetohydroxamic acid: solution speciation, synthesis and structural characterization
• Authors of publication: Ostrowska, Malgorzata; Golenya, Irina A.; Haukka, Matti; Fritsky, Igor O.; Gumienna-Kontecka, Elzbieta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 26
• Pages of publication: 10237
• a: 11.516 ± 0.0003 Å
• b: 13.994 ± 0.0003 Å
• c: 14.674 ± 0.0002 Å
• α: 91.47 ± 0.001°
• β: 99.155 ± 0.001°
• γ: 91.943 ± 0.001°
• Cell volume: 2332.17 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No