Information card for entry 4507536

Structure parameters

• Formula: C34 H22 Cd Cl2 N6 O4
• Calculated formula: C34 H22 Cd Cl2 N6 O4
• SMILES: c1c[n]2[Cd]3([n]4cccc(C(=O)c5nc(C(=O)c(c2)c1)ccc5)c4)([n]1cc(ccc1)C(=O)c1cccc(n1)C(=O)c1ccc[n]3c1)(Cl)Cl
• Title of publication: Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation
• Authors of publication: Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 1926
• a: 14.9938 ± 0.0019 Å
• b: 12.6823 ± 0.0016 Å
• c: 8.2101 ± 0.001 Å
• α: 90°
• β: 91.66 ± 0.002°
• γ: 90°
• Cell volume: 1560.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No