Information card for entry 7031513

Structure parameters

• Formula: C19 H23 Cl2 N3 Pt
• Calculated formula: C19 H23 Cl2 N3 Pt
• SMILES: [Pt]12(Cl)[N](Cc3c2c(cc(c3)/C=N/c2ccc(Cl)cc2)C[N]1(C)C)(C)C
• Title of publication: Organometallic benzylidene anilines: donor-acceptor features in NCN-pincer Pt(ii) complexes with a 4-(E)-[(4-R-phenyl)imino]methyl substituent.
• Authors of publication: Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; van Klink, Gerard P. M.; van Koten, Gerard
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12200 - 12209
• a: 18.176 ± 0.0004 Å
• b: 8.9325 ± 0.0003 Å
• c: 11.8834 ± 0.0003 Å
• α: 90°
• β: 94.713 ± 0.003°
• γ: 90°
• Cell volume: 1922.83 ± 0.09 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: 0.0219
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections included in the refinement: 0.0343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No