Information card for entry 7103835

Structure parameters

• Formula: C39 H75 Br6 Cl2 In2 Mg2 N O6 Si
• Calculated formula: C39 H75 Br6 Cl2 In2 Mg2 N O6 Si
• SMILES: C12(C(=C([C]3(=[C]1(C)[In]3(N(C(C)(C)C)[Si]2(C)C)(Br)Br)C)C)C)[In](Br)(Br)Br.C1CCC[O]1[Mg]12([O]3CCCC3)([O]3CCCC3)[Br][Mg]([O]3CCCC3)([O]3CCCC3)([O]3CCCC3)([Cl]2)[Cl]1
• Title of publication: An unprecedented mode of ligation for a bridged amido-cyclopentadienide (constrained geometry) ligand; π-olefinic interactions with gallium and indium
• Authors of publication: Pietryga, Jeffrey M.; Jones, Jamie N.; Mullins, Lucille A.; Wiacek, Robert J.; Cowley, Alan H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2072 - 2073
• a: 20.235 ± 0.004 Å
• b: 19.009 ± 0.004 Å
• c: 15.175 ± 0.003 Å
• α: 90°
• β: 102.65 ± 0.03°
• γ: 90°
• Cell volume: 5695 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No