Information card for entry 4329571

Structure parameters

• Formula: C30 H24 F6 N8 O8 S2 Zn
• Calculated formula: C30 H24 F6 N8 O8 S2 Zn
• SMILES: c12Nc3[n]4[Zn]56([n]2c(=Nc2[n]5c(Nc5c7c(c([n]65)=Nc4ccc3)cccc7)ccc2)c2c1cccc2)([OH]C)[OH]C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-]
• Title of publication: Excitonic Luminescence of Hemiporphyrazines
• Authors of publication: Sabrina M. Huber; Martin S. Seyfried; Anthony Linden; Nathan W. Luedtke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 7032 - 7038
• a: 8.252 ± 0.0002 Å
• b: 10.8769 ± 0.0004 Å
• c: 11.4996 ± 0.0005 Å
• α: 117.121 ± 0.003°
• β: 95.376 ± 0.002°
• γ: 106.102 ± 0.005°
• Cell volume: 852.89 ± 0.07 ų
• Cell temperature: 160 ± 1 K
• Ambient diffraction temperature: 160 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No