Information card for entry 7113905

Structure parameters

• Formula: C36 H77 Cl4 N24 Ni O34 P Se4 W3
• Calculated formula: C36 Cl4 N24 Ni O34 P Se4 W3
• Title of publication: Stabilization of the previously unknown tautomer HP(OH)2 of hypophosphorous acid as ligand; preparation of [W3(Ni(HP(OH)2))Q4(H2O)9]4+(Q = S, Se) complexes
• Authors of publication: Sokolov, Maxim N.; Hernández-Molina, Rita; Clegg, William; Fedin, Vladimir P.; Mederos, Alfredo
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 1
• Pages of publication: 140 - 141
• a: 16.5728 ± 0.0005 Å
• b: 18.5868 ± 0.0006 Å
• c: 48.7091 ± 0.0016 Å
• α: 90°
• β: 99.391 ± 0.002°
• γ: 90°
• Cell volume: 14803 ± 0.8 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 9
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No