Information card for entry 7704202

Structure parameters

• Formula: C100 H110 Ba2 N6
• Calculated formula: C100 H110 Ba2 N6
• 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: 10.538 ± 0.002 Å
• b: 14.14 ± 0.003 Å
• c: 14.454 ± 0.003 Å
• α: 87.98 ± 0.03°
• β: 75.31 ± 0.03°
• γ: 85.85 ± 0.03°
• Cell volume: 2077.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No