Information card for entry 7015506

Structure parameters

• Formula: C30 H42 Cl2 N6 O2 Pt
• Calculated formula: C30 H42 Cl2 N6 O2 Pt
• SMILES: [Pt](Cl)(Cl)([N]1[C@@H](N(OC=1N1CCCCC1)C)c1ccc(cc1)C)[N]1[C@@H](N(OC=1N1CCCCC1)C)c1ccc(cc1)C.[Pt](Cl)(Cl)([N]1[C@H](N(OC=1N1CCCCC1)C)c1ccc(cc1)C)[N]1[C@H](N(OC=1N1CCCCC1)C)c1ccc(cc1)C
• Title of publication: Unexpectedly efficient activation of push-pull nitriles by a Pt(II) center toward dipolar cycloaddition of Z-nitrones.
• Authors of publication: Kritchenkov, Andreii S.; Bokach, Nadezhda A.; Haukka, Matti; Kukushkin, Vadim Yu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 16
• Pages of publication: 4175 - 4182
• a: 9.6768 ± 0.0002 Å
• b: 12.1702 ± 0.0002 Å
• c: 26.9509 ± 0.0003 Å
• α: 90°
• β: 96.154 ± 0.0011°
• γ: 90°
• Cell volume: 3155.68 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No