Information card for entry 7702897

Structure parameters

• Chemical name: bis(acetonitrile)aqua(1,4,7,10,13-pentaoxacyclopentadecane)lutetium(III) triiodide
• Formula: C14 H28 I3 Lu N2 O6
• Calculated formula: C14 H26 I3 Lu N2 O6
• Title of publication: Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.
• Authors of publication: Champion, Martin J. D.; Farina, Paolo; Levason, William; Reid, Gillian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13179 - 13189
• a: 18.946 ± 0.007 Å
• b: 11.146 ± 0.004 Å
• c: 11.901 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2513.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No