Information card for entry 7019232

Structure parameters

• Formula: C25 H23 Br2 Cl2 Mg N3
• Calculated formula: C25 H23 Br2 Cl2 Mg N3
• SMILES: Br[Mg]12([n]3c(c4[n]2c(c2[n]1cccc2)cc(c4)c1c(cc(cc1C)C)C)cccc3)Br.ClCCl
• 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: 20.815 ± 0.003 Å
• b: 15.326 ± 0.003 Å
• c: 16.421 ± 0.003 Å
• α: 90°
• β: 100.713 ± 0.007°
• γ: 90°
• Cell volume: 5147.2 ± 1.6 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No