Information card for entry 2009077

Structure parameters

• Chemical name: Diiodobis(4-methoxybenzaldehyde thiosemicarbazone)cadmium(II)
• Formula: C18 H22 Cd I2 N6 O2 S2
• Calculated formula: C18 H22 Cd I2 N6 O2 S2
• SMILES: [Cd](I)(I)([S]=C(N)N/N=C/c1ccc(OC)cc1)[S]=C(N)N/N=C/c1ccc(OC)cc1
• Title of publication: Diiodobis(4-methoxybenzaldehyde thiosemicarbazone-<i>S</i>)cadmium(II)
• Authors of publication: Yu-Peng Tian; Wen-Tao Yu; Min-Hua Jiang; S. Shanmuga Sundara Raj; Ping Yang; Hoong-Kun Fun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 10
• Pages of publication: 1639 - 1641
• a: 14.0268 ± 0.0001 Å
• b: 15.0988 ± 0.0002 Å
• c: 13.3565 ± 0.0002 Å
• α: 90°
• β: 111.16 ± 0.01°
• γ: 90°
• Cell volume: 2638.02 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.042
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No