Information card for entry 7113545

Structure parameters

• Formula: C36 H78 Cl2 Mn N6 O24 V6
• Calculated formula: C36 H68 Cl2 Mn N6 O24 V6
• Title of publication: A novel cationic heteropolyoxovanadium(IV) cluster functionalized with organic ligands: synthesis and characterization of the fully reduced species [MnIIVIV6O6{(OCH2CH2)2N(CH2CH2OH)}6]Cl2
• Authors of publication: Khan, M. Ishaque; Tabussum, Saadia; Doedens, Robert J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 4
• Pages of publication: 532 - 533
• a: 11.2208 ± 0.0005 Å
• b: 21.5041 ± 0.0009 Å
• c: 11.8126 ± 0.0005 Å
• α: 90°
• β: 111.268 ± 0.001°
• γ: 90°
• Cell volume: 2656.2 ± 0.2 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103979
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No