Information card for entry 7115131

Structure parameters

• Formula: C32 H69 Ba I Li4 O9
• Calculated formula: C16 Ba0.5 I0.5 Li2 O4.5
• Title of publication: Synthesis and crystal structure of [IBa(OBut)4{Li(thf)}4(OH)]: a mixed ligand heterometallic cluster with an unusual low coordination number for barium
• Authors of publication: Fromm, Katharina M.; Gueneau, Estelle D.; Goesmann, H.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 2187
• a: 15.574 ± 0.002 Å
• b: 15.574 ± 0.002 Å
• c: 10.395 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2521.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No