Information card for entry 7005637

Structure parameters

• Formula: C27 H21 Cl N18 O4 Zn2
• Calculated formula: C27 H21 Cl N18 O4 Zn2
• SMILES: [Zn]1234[N](=CN5[Zn]6([n]7cccnc57)([n]5cccnc5[N]6=CN2c2ncccn2)[N](c2ncccn2)=CN3c2nccc[n]42)c2nccc[n]12.Cl(=O)(=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: 11.287 ± 0.002 Å
• b: 12.424 ± 0.003 Å
• c: 31.198 ± 0.006 Å
• α: 90°
• β: 96.391 ± 0.005°
• γ: 90°
• Cell volume: 4347.7 ± 1.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1208
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No