Information card for entry 2222860

Structure parameters

• Chemical name: Aquachloridobis[5-(2-pyridyl)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]iron(III)
• Formula: C12 H10 Cl Fe N10 O
• Calculated formula: C12 H10 Cl Fe N10 O
• SMILES: [Fe]12(Cl)([OH2])([n]3c(c4nnnn24)cccc3)n2nnnc2c2[n]1cccc2
• Title of publication: Aquachloridobis[5-(2-pyridyl)-1<i>H</i>-tetrazolato-κ<i>N</i>^1^]iron(III)
• Authors of publication: Wang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m861
• a: 17.072 ± 0.003 Å
• b: 7.1905 ± 0.0014 Å
• c: 14.292 ± 0.003 Å
• α: 90°
• β: 113.85 ± 0.03°
• γ: 90°
• Cell volume: 1604.6 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0416
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes