Information card for entry 7702747

Structure parameters

• Chemical name: hexaaquatris(chloranilato)dipraseodymium(III) hydrate
• Formula: C18 H36 Cl6 O30 Pr2
• Calculated formula: C18 Cl6 O30.34 Pr2
• Title of publication: Dihydroxybenzoquinone and chloranilic acid derivatives of rare earth metals
• Authors of publication: Abrahams, Brendan F.; Coleiro, Joseph; Ha, Karen; Hoskins, Bernard F.; Orchard, Simon D.; Robson, Richard
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1586
• a: 9.899 ± 0.003 Å
• b: 9.998 ± 0.002 Å
• c: 11.141 ± 0.004 Å
• α: 89.07 ± 0.02°
• β: 84.37 ± 0.03°
• γ: 67.93 ± 0.03°
• Cell volume: 1016.6 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1148
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2406
• Weighted residual factors for all reflections included in the refinement: 0.2677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No