Information card for entry 4328478

Structure parameters

• Formula: C175 H186 Cl14 O32 P12 V6
• Calculated formula: C175 H185.984 Cl14 O31.992 P12 V6
• Title of publication: Syntheses, X-ray Structural Characterizations, and Thermal Stabilities of Two Nonclassical Trinuclear Vanadium(IV) Complexes, (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(H2O) and (V3(μ3-O)O2)(μ2-O2P(CH2C6H5)2)6(py), and Polymeric Complexes of Stoichiometry (VO(O2PR2)2)\ιnfty, R2 = Ph2 and o-(CH2)2(C6H4)
• Authors of publication: John S. Maass; Zhichao Chen; Matthias Zeller; Floriana Tuna; Richard E. P. Winpenny; Rudy L. Luck
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2766 - 2776
• a: 26.63 ± 0.01 Å
• b: 20.903 ± 0.008 Å
• c: 16.779 ± 0.007 Å
• α: 90°
• β: 90.804 ± 0.009°
• γ: 90°
• Cell volume: 9339 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.1822
• Weighted residual factors for all reflections included in the refinement: 0.2125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No