Information card for entry 7704204

Structure parameters

• Formula: C51 H63 Mg N3 O2
• Calculated formula: C51 H63 Mg N3 O2
• SMILES: [Mg]12([O]3CCCC3)([n]3c(cccc3C(=[N]2c2c(cccc2C(C)C)C(C)C)c2ccccc2)C(=[N]1c1c(cccc1C(C)C)C(C)C)c1ccccc1)[O]1CCCC1
• Title of publication: 2,6-Diiminopyridine complexes of group 2 metals: synthesis, characterisation and redox behaviour.
• Authors of publication: Dawkins, Michael J. C.; Simonov, Alexandr N.; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 20
• Pages of publication: 6627 - 6634
• a: 9.662 ± 0.0019 Å
• b: 25.268 ± 0.005 Å
• c: 17.731 ± 0.004 Å
• α: 90°
• β: 92.75 ± 0.03°
• γ: 90°
• Cell volume: 4323.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0952
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No