Information card for entry 7707224

Structure parameters

• Formula: C12 H36 Be3 N12 O3 S4
• Calculated formula: C12 H36 Be3 N12 O3 S4
• Title of publication: Ethylenediamine complexes of the beryllium halides and pseudo-halides.
• Authors of publication: Buchner, Magnus R.; Müller, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 21
• Pages of publication: 7246 - 7255
• a: 10.5372 ± 0.0003 Å
• b: 11.0027 ± 0.0003 Å
• c: 13.3669 ± 0.0003 Å
• α: 104.35 ± 0.002°
• β: 109.886 ± 0.002°
• γ: 97.482 ± 0.002°
• Cell volume: 1372.15 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No