Information card for entry 7045345

Structure parameters

• Formula: C10 H10 Bi Br7 Cl2 N2
• Calculated formula: C10 H10 Bi Br7 Cl2 N2
• Title of publication: Bromine-rich complexes of bismuth: experimental and theoretical studies.
• Authors of publication: Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2683 - 2689
• a: 20.2722 ± 0.0007 Å
• b: 7.6512 ± 0.0003 Å
• c: 28.2787 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4386.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No