Information card for entry 2226877

Structure parameters

• Chemical name: Di-μ-chlorido-bis{chlorido[(<i>R</i>)/(<i>S</i>)-1,5-diphenyl-3-(2- pyridyl-κ<i>N</i>)-2-pyrazoline-κ<i>N</i>^2^]zinc(II)}
• Formula: C40 H34 Cl4 N6 Zn2
• Calculated formula: C40 H34 Cl4 N6 Zn2
• SMILES: C12C[C@@H](N([N]=1[Zn]1([Cl][Zn]3([N]4=C(C[C@H](N4c4ccccc4)c4ccccc4)c4cccc[n]34)(Cl)[Cl]1)([n]1c2cccc1)Cl)c1ccccc1)c1ccccc1
• Title of publication: Di-μ-chlorido-bis{chlorido[(<i>R</i>)/(<i>S</i>)-1,5-diphenyl-3-(2-pyridyl-κ<i>N</i>)-2-pyrazoline-κ<i>N</i>^2^]zinc(II)}
• Authors of publication: Barceló-Oliver, Miquel; Terrón, Angel; García-Raso, Angel; Turel, Iztok; Morell, Marta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m899 - m900
• a: 14.6 ± 0.003 Å
• b: 8.62 ± 0.0017 Å
• c: 19.524 ± 0.007 Å
• α: 90°
• β: 129.494 ± 0.018°
• γ: 90°
• Cell volume: 1896.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.1085
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes