Information card for entry 7133257

Structure parameters

• Formula: C48 H36 N2 O6 Zn
• Calculated formula: C48 H36 N2 O6 Zn
• Title of publication: Polymorph driven diversification of photosalient responses in a zinc(II) coordination complex.
• Authors of publication: Pham-Tran, Victoria N P; Moffat, James G. D.; Marczenko, Katherine M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 61
• Pages of publication: 7890 - 7893
• a: 7.9164 ± 0.0002 Å
• b: 23.6249 ± 0.0008 Å
• c: 20.5918 ± 0.0006 Å
• α: 90°
• β: 91.802 ± 0.003°
• γ: 90°
• Cell volume: 3849.3 ± 0.2 ų
• Cell temperature: 292.7 ± 0.3 K
• Ambient diffraction temperature: 292.7 ± 0.3 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: 0.0982
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No