Information card for entry 7005638

Structure parameters

• Formula: C27 H21 Cd2 N19 O3
• Calculated formula: C27 H21 Cd2 N19 O3
• SMILES: [Cd]12345[n]6cccnc6N1C=[N]1[Cd]67([n]8c1nccc8)(N(C=[N]3c1nccc[n]21)c1nccc[n]61)N(C=[N]5c1nccc[n]41)c1nccc[n]71.N(=O)(=O)[O-]
• Title of publication: Crystal structures and solution behaviors of dinuclear d(10)-metal complexes containing anions of N,N'-bis(pyrimidine-2-yl)formamidine.
• Authors of publication: Chan, Zhi-Kai; Chen, Tsun-Ren; Chen, Jhy-Der; Wang, Ju-Chun; Liu, C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 31
• Pages of publication: 3450 - 3458
• a: 11.3194 ± 0.0012 Å
• b: 29.1565 ± 0.0019 Å
• c: 12.6256 ± 0.001 Å
• α: 90°
• β: 94.187 ± 0.009°
• γ: 90°
• Cell volume: 4155.8 ± 0.6 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: 0.0647
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No