Information card for entry 7702893

Structure parameters

• Chemical name: acetonitrile-1,4,7,10,13,16-hexaoxacyclooctadecane-diiodolanthanum(III) iodide acetonitrile solvate
• Formula: C15 H28.5 I3 La N1.5 O6
• Calculated formula: C15 H28.5 I3 La N1.5 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: 8.1091 ± 0.0011 Å
• b: 21.599 ± 0.003 Å
• c: 29.15 ± 0.004 Å
• α: 90°
• β: 91.469 ± 0.003°
• γ: 90°
• Cell volume: 5103.9 ± 1.2 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: 0.0354
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No