Information card for entry 7705335

Structure parameters

• Formula: C9 H13 I N4
• Calculated formula: C9 H13 I N4
• SMILES: c1n(cc[n+]1C)CCn1cncc1.[I-]
• Title of publication: Synthesis, conformational analysis and antibacterial activity of Au(I)-Ag(I) and Au(I)-Hg(II) heterobimetallic N-heterocyclic carbene complexes.
• Authors of publication: Li, Zili; Mackie, Emily R. R.; Ramkissoon, Pria; Mather, Joel C.; Wiratpruk, Nuchareenat; Soares da Costa, Tatiana P.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12820 - 12834
• a: 6.8428 ± 0.0006 Å
• b: 11.523 ± 0.0005 Å
• c: 17.2878 ± 0.0015 Å
• α: 90°
• β: 124.136 ± 0.012°
• γ: 90°
• Cell volume: 1128.3 ± 0.2 ų
• Cell temperature: 133 ± 0.4 K
• Ambient diffraction temperature: 133 ± 0.4 K
• Number of distinct elements: 4
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No