Information card for entry 7225794

Structure parameters

• Formula: C28 H27 N6 O5.5 Zn
• Calculated formula: C28 H24 N6 O4 Zn
• Title of publication: Centric and acentric networks using low-symmetry heterotopic carboxylate/pyridyl ligands
• Authors of publication: Hall, Gregory S.; Angeles, Melissa J.; Hicks, Jamie; Turner, David R.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 35
• Pages of publication: 6614
• a: 12.344 ± 0.0017 Å
• b: 12.344 ± 0.0017 Å
• c: 17.575 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2678 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No