Information card for entry 7702896

Structure parameters

• Chemical name: diaqua-iodo-(1,4,10,13-tetraoxa-7,16-dithiacyclooctadecane)-lanthanum(III) iodide hydrate
• Formula: C12 H30 I3 La O7 S2
• Calculated formula: C12 H24 I3 La O7 S2
• 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: 8.5208 ± 0.0016 Å
• b: 20.401 ± 0.004 Å
• c: 14.616 ± 0.003 Å
• α: 90°
• β: 106.278 ± 0.003°
• γ: 90°
• Cell volume: 2438.9 ± 0.8 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: 0.069
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No