Information card for entry 2231829

Structure parameters

• Chemical name: [1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol- κ^2^<i>N</i>^7^,<i>N</i>^8^]diiodidomercury(II)
• Formula: C23 H14 Hg I2 N4 O
• Calculated formula: C23 H14 Hg I2 N4 O
• SMILES: c1c[n]2c3c(c1)c1c(c4ccc[n](c34)[Hg]2(I)I)[nH]c(c2c(ccc3c2cccc3)O)n1
• Title of publication: [1-(1<i>H</i>-Imidazo[4,5-<i>f</i>][1,10]phenanthrolin-2-yl)naphthalen-2-ol-κ^2^<i>N</i>^7^,<i>N</i>^8^]diiodidomercury(II)
• Authors of publication: Li, Tian-Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1396
• a: 14.4271 ± 0.001 Å
• b: 7.3026 ± 0.0005 Å
• c: 21.1337 ± 0.0015 Å
• α: 90°
• β: 94.472 ± 0.001°
• γ: 90°
• Cell volume: 2219.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes