Information card for entry 7710845

Structure parameters

• Chemical name: CdL'
• Formula: C9 H13 Cd Cl2 N5
• Calculated formula: C9 H13 Cd Cl2 N5
• SMILES: [Cd]12(Cl)(Cl)[n]3c(cccc3C(=[N]2N)C)C(=[N]1N)C
• Title of publication: Hydrolysis of a carbamate triggered by coordination of metal ions
• Authors of publication: Fernández-Fariña, Sandra; Martinez-Calvo, Miguel; Romero, María José; Seco, José Manuel; Zaragoza, Guillermo; Pedrido Castiñeiras, Rosa; González-Noya, Ana M.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.366 ± 0.002 Å
• b: 14.446 ± 0.003 Å
• c: 10.65 ± 0.002 Å
• α: 90°
• β: 91.774 ± 0.004°
• γ: 90°
• Cell volume: 1286.5 ± 0.5 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: 0.028
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No