Information card for entry 2007902

Structure parameters

• Formula: C32 H16 I N8 V
• Calculated formula: C32 H16 I N8 V
• SMILES: I[V]123[N]4=C5N=C6[N]3=C(N=C3[N]2=C(N=C2[N]1=C(N=C4c1c5cccc1)c1ccccc21)c1ccccc31)c1ccccc61
• Title of publication: Iodo(phthalocyaninato)vanadium(III)
• Authors of publication: Krzysztof Ejsmont; Ryszard Kubiak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1844 - 1846
• a: 13.135 ± 0.003 Å
• b: 10.309 ± 0.002 Å
• c: 19.363 ± 0.004 Å
• α: 90°
• β: 99.99 ± 0.03°
• γ: 90°
• Cell volume: 2582.2 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes