Information card for entry 7042890

Structure parameters

• Formula: C6 H11 I4 N3 O2 Zn
• Calculated formula: C6 H11 I4 N3 O2 Zn
• SMILES: c1c(ccc[nH+]1)C(=O)N[NH3+].O.[Zn](I)(I)([I-])[I-]
• Title of publication: Halogen-dependent photoinduced electron transfer and chromism of three protonated nicotinohydrazide halozincates.
• Authors of publication: Shen, Jun-Ju; Wang, Feng; Yu, Tan-Lai; Zhang, Fu-Qiang; Tian, Lu; Fu, Yun-Long
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 5414 - 5419
• a: 7.5665 ± 0.0005 Å
• b: 26.29 ± 0.002 Å
• c: 8.3233 ± 0.0006 Å
• α: 90°
• β: 96.386 ± 0.006°
• γ: 90°
• Cell volume: 1645.4 ± 0.2 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: 0.0635
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No