Information card for entry 7704049

Structure parameters

• Formula: C22 H18.5 Br2 Cl2 N3.5 Zn
• Calculated formula: C22 H18.5 Br2 Cl2 N3.5 Zn
• Title of publication: Zn-Templated synthesis of substituted (2,6-diimine)pyridine proligands and evaluation of their iron complexes as anolytes for flow battery applications.
• Authors of publication: Braun, Jason D.; Gray, Paul A.; Sidhu, Baldeep K.; Nemez, Dion B.; Herbert, David E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16175 - 16183
• a: 12.9613 ± 0.0007 Å
• b: 14.5938 ± 0.0006 Å
• c: 15.1144 ± 0.0007 Å
• α: 92.855 ± 0.002°
• β: 110.335 ± 0.002°
• γ: 102.818 ± 0.002°
• Cell volume: 2588.7 ± 0.2 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0708
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No