Information card for entry 1512736

Structure parameters

• Formula: C60 H268 Cl11 Fe15 N24 O175 P24
• Calculated formula: C60 H60 Cl11 Fe15 N24 O175 P24
• Title of publication: Crystal structure and magnetic properties of two new zoledronate complexes: A Mn dimer [Mn(II)(H3Zol)2(H2O)2] and a Fe15 molecular cluster [Fe(III)15(HZol)10(H2Zol)2 (H2O)12(Cl4:(H2O)2)Cl7(H2O)65] (where H4Zol: C5H10N2O7P2 is zoledronic acid)
• Authors of publication: Eleonora Freire; Mariano Quintero; Daniel Vega; Ricardo Baggio
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 393
• Pages of publication: 229 - 236
• a: 15.212 ± 0.002 Å
• b: 19.277 ± 0.003 Å
• c: 22.876 ± 0.003 Å
• α: 65.252 ± 0.002°
• β: 70.935 ± 0.002°
• γ: 81.401 ± 0.002°
• Cell volume: 5757.3 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.1307
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1793
• Weighted residual factors for all reflections included in the refinement: 0.2026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No