Information card for entry 7704205

Structure parameters

• Formula: C43 H47 I Mg N3
• Calculated formula: C43 H47 I Mg N3
• SMILES: I[Mg]12[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)c1ccccc1)c1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 11.024 ± 0.002 Å
• b: 14.654 ± 0.003 Å
• c: 26.069 ± 0.005 Å
• α: 97.74 ± 0.03°
• β: 100.95 ± 0.03°
• γ: 109.95 ± 0.03°
• Cell volume: 3794.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No