Information card for entry 4309965

Structure parameters

• Common name: Porphyrazinegalliumchloride
• Formula: C16 Cl Ga N16 S4
• Calculated formula: C16 Cl Ga N16 S4
• SMILES: [Ga]123(Cl)[n]4c5=Nc6n2c(N=c2[n]3c(c3c2nsn3)N=c2c3c(nsn3)c(=Nc4c3c5nsn3)n12)c1nsnc61
• Title of publication: Tetrakis(thiadiazole)porphyrazines. 4. Direct Template Synthesis, Structure, General Physicochemical Behavior, and Redox Properties of AlIII, GaIII, and InIII Complexes
• Authors of publication: Maria Pia Donzello; Rita Agostinetto; Svetlana S. Ivanova; Masato Fujimori; Yosuke Suzuki; Hirofumi Yoshikawa; Jing Shen; Kunio Awaga; Claudio Ercolani; Karl M. Kadish; Pavel A. Stuzhin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8539 - 8551
• a: 12.429 ± 0.003 Å
• b: 12.43 ± 0.003 Å
• c: 13.851 ± 0.003 Å
• α: 70.663 ± 0.006°
• β: 79.788 ± 0.008°
• γ: 89.991 ± 0.009°
• Cell volume: 1983.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No