Information card for entry 2215554

Structure parameters

• Chemical name: Dichlorido{2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl] pyridine-κ3N,N',N''}cadmium(II) acetonitrile solvate
• Formula: C29 H34 Cd Cl2 N4
• Calculated formula: C29 H34 Cd Cl2 N4
• SMILES: [Cd]12(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C.N#CC
• Title of publication: Dichlorido{2,6-bis[1-(2,4,6-trimethylphenylimino)ethyl]pyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>''}cadmium(II) acetonitrile solvate
• Authors of publication: Fan, Rui-Qing; Wang, Ping; Yang, Yu-Lin; Lv, Zhi-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2501 - m2502
• a: 14.545 ± 0.003 Å
• b: 15.074 ± 0.003 Å
• c: 14.758 ± 0.003 Å
• α: 90°
• β: 111.516 ± 0.002°
• γ: 90°
• Cell volume: 3010.2 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0827
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes