Information card for entry 7702903

Structure parameters

• Chemical name: bis(trans-dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)yttrium(III))- (cis-dichloro(1,4,7,10,13,16-hexaoxacyclooctadecane)yttrium(III)) hexachloro-tri(mu-2-chloro)diyttrium(III) acetonitrile solvate
• Formula: C39.3 H76.95 Cl15 N1.65 O18 Y5
• Calculated formula: C39.3 H72 Cl15 N1.65 O18 Y5
• 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: 13.174 ± 0.002 Å
• b: 17.299 ± 0.003 Å
• c: 18.224 ± 0.004 Å
• α: 115.694 ± 0.003°
• β: 95.928 ± 0.005°
• γ: 91.622 ± 0.001°
• Cell volume: 3710.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No