Information card for entry 4341467

Structure parameters

• Formula: C18 H44 Ba Cu4 I6 O10
• Calculated formula: C18 H43.9998 Ba Cu4 I6 O10
• Title of publication: Novel barium-organic incorporated iodometalates: do they have template properties for constructing rare heterotrimetallic hybrids?
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Ledoux, Gilles; Daniele, Stéphane
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11721 - 11731
• a: 14.895 ± 0.0007 Å
• b: 14.895 ± 0.0007 Å
• c: 30.693 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5897.3 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9881
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No