Information card for entry 7706647

Structure parameters

• Formula: C3 H11 B8 Cl
• Calculated formula: C3 H11 B8 Cl
• Title of publication: Transformation of various multicenter bondings within bicapped-square antiprismatic motifs: <i>Z</i>-rearrangement.
• Authors of publication: Bakardjiev, Mario; Holub, Josef; R°užičková, Zdeňka; R°užička, Aleš; Fanfrlík, Jindřich; Štíbr, Bohumil; McKee, Michael L.; Hnyk, Drahomír
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 12098 - 12106
• a: 13.042 ± 0.0012 Å
• b: 9.8661 ± 0.001 Å
• c: 7.3139 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 941.11 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No