Information card for entry 4341361

Structure parameters

• Formula: C40 H88 Ag4 Ba2 I8 O20
• Calculated formula: C40 H88 Ag4 Ba2 I8 O20
• SMILES: I[Ag]1[I][Ag]2([I]1)[I][Ag]1([I]2)[I][Ag]([I]1)I.[Ba]12345678([O](C)CC[O]1CC[O]2CC[O]3CC[O]4C)[O](C)CC[O]5CC[O]6CC[O]7CC[O]8C.[Ba]12345678([O](C)CC[O]1CC[O]2CC[O]3CC[O]4C)[O](C)CC[O]5CC[O]6CC[O]7CC[O]8C
• 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: 17.2402 ± 0.0008 Å
• b: 18.859 ± 0.001 Å
• c: 22.504 ± 0.001 Å
• α: 90°
• β: 93.897 ± 0.004°
• γ: 90°
• Cell volume: 7299.9 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0957
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections: 0.1312
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9432
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No