Information card for entry 4333437

Structure parameters

• Formula: C14 H18 Cd I2 N5 O
• Calculated formula: C14 H18 Cd I2 N5 O
• SMILES: c1cn(C)c2[n]1[Cd]([N](c1ccc(C)cc1)=N2)(I)(I)[O]=CN(C)C
• Title of publication: Cadmium(II) Complexes of (Arylazo)imidazoles: Synthesis, Structure, Photochromism, and Density Functional Theory Calculation
• Authors of publication: Sarker, K. K.; Sardar, D.; Suwa, K.; Otsuki, J.; Sinha, C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 8291 - 8301
• a: 8.244 ± 0.002 Å
• b: 10.408 ± 0.003 Å
• c: 13.512 ± 0.004 Å
• α: 83.63 ± 0.03°
• β: 86.59 ± 0.03°
• γ: 65.35 ± 0.03°
• Cell volume: 1047.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No