Information card for entry 7233306

Structure parameters

• Formula: C22 H16 Cl2 N4 Zn
• Calculated formula: C22 H16 Cl2 N4 Zn
• Title of publication: Synthesis, coordination chemistry and photophysical properties of naphtho-fused pyrazole ligands
• Authors of publication: Weekes, Rohan J.; Hawes, Chris S.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 34
• Pages of publication: 5152
• a: 27.835 ± 0.004 Å
• b: 5.1802 ± 0.0007 Å
• c: 6.7211 ± 0.0009 Å
• α: 90°
• β: 95.439 ± 0.003°
• γ: 90°
• Cell volume: 964.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No