Information card for entry 7707225

Structure parameters

• Formula: C3 H12 Be0.5 I N3
• Calculated formula: C3 H12 Be0.5 I N3
• 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: 11.5044 ± 0.0003 Å
• b: 8.3921 ± 0.0001 Å
• c: 15.9669 ± 0.0004 Å
• α: 90°
• β: 100.712 ± 0.002°
• γ: 90°
• Cell volume: 1514.68 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No