Information card for entry 7704200

Structure parameters

• Formula: C43 H47 Ca I2 N3
• Calculated formula: C43 H47 Ca I2 N3
• 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: 14.0702 ± 0.001 Å
• b: 19.231 ± 0.0013 Å
• c: 15.6894 ± 0.0012 Å
• α: 90°
• β: 105.232 ± 0.003°
• γ: 90°
• Cell volume: 4096.2 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.136
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1601
• 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: Yes
• Has Fobs: No