Information card for entry 7113733

Structure parameters

• Formula: C38 H54 Br2 Mg2 N4
• Calculated formula: C38 H54 Br2 Mg2 N4
• SMILES: [Br]1[Mg]2(Br)[N](=C[c]34[cH]5[cH]6[cH]7[c]3(C=[N]2C2CCCCC2)[Mg]214567N(C=C1C=CC=C1C=[N]2C1CCCCC1)C1CCCCC1)C1CCCCC1
• Title of publication: 6-Aminofulvene-2-aldimine, a novel class of ambidentate cyclopentadienyl/diimine ligand: synthesis and characterisation of magnesium complexes
• Authors of publication: Bailey, Philip J.; Loroño-González, Daniel; Parsons, Simon
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1426 - 1427
• a: 11.354 ± 0.005 Å
• b: 26.306 ± 0.005 Å
• c: 12.779 ± 0.005 Å
• α: 90°
• β: 100.925 ± 0.005°
• γ: 90°
• Cell volume: 3748 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0746
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103716
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No