Information card for entry 7012366

Structure parameters

• Chemical name: di(mu-hydroxo)bis(bis(O,O'-nitrato)diaquascandium(III)) (bis(1,4,7,10-tetraoxacyclododecane)sodium) nitrate trihydrate
• Formula: C16 H48 N5 Na O32 Sc2
• Calculated formula: C16 H46 N5 Na O32 Sc2
• Title of publication: Primary and secondary coordination of crown ethers to scandium(iii). Synthesis, properties and structures of the reaction products of ScCl3(thf)3, ScCl3·6H2O and Sc(NO3)3·5H2O with crown ethers
• Authors of publication: Brown, Michael D.; Levason, William; Murray, David C.; Popham, Michael C.; Reid, Gillian; Webster, Michael
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 857
• a: 8.7342 ± 0.001 Å
• b: 13.4735 ± 0.0015 Å
• c: 16.842 ± 0.003 Å
• α: 100.341 ± 0.004°
• β: 98.989 ± 0.004°
• γ: 93.665 ± 0.007°
• Cell volume: 1917.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No