Information card for entry 7019233

Structure parameters

• Formula: C27 H35 Br2 Mg N3
• Calculated formula: C27 H35 Br2 Mg N3
• Title of publication: Synthesis and computational studies of Mg complexes supported by 2,2':6,2''-terpyridine ligands.
• Authors of publication: Guard, Louise M.; Palma, Julio L.; Stratton, William P.; Allen, Laura J.; Brudvig, Gary W.; Crabtree, Robert H.; Batista, Victor S.; Hazari, Nilay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 8098 - 8110
• a: 12.5029 ± 0.002 Å
• b: 12.5029 ± 0.002 Å
• c: 15.991 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2164.8 ± 0.6 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No