Information card for entry 4342730

Structure parameters

• Formula: C73 H92 Bi6 Br24 Cl2 Fe6 O12
• Calculated formula: C73 H92 Bi6 Br24 Cl2 Fe6 O12
• Title of publication: Iron-bismuth halido compounds: molecules, clusters, and polymers.
• Authors of publication: Wójcik, Katarzyna; Preda, Ana Maria; Mertens, Lutz; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 3905 - 3912
• a: 28.3992 ± 0.001 Å
• b: 10.9024 ± 0.0003 Å
• c: 40.7714 ± 0.0006 Å
• α: 90°
• β: 106.75 ± 0.003°
• γ: 90°
• Cell volume: 12088 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No