Information card for entry 4077725

Structure parameters

• Formula: C62 H64 Cl2 N2 O2 Pt2
• Calculated formula: C62 H64 Cl2 N2 O2 Pt2
• SMILES: [Pt]12(c3ccccc3c3[n]2c(cc(c3)c2ccc(OCCCCCCCC)cc2)c2ccccc2)[Cl][Pt]2(c3ccccc3c3[n]2c(cc(c3)c2ccc(OCCCCCCCC)cc2)c2ccccc2)[Cl]1
• Title of publication: C−H Activation Induced by Water. Monocyclometalated to Dicyclometalated: C∧N∧C Tridentate Platinum Complexes
• Authors of publication: Cave, Gareth W. V.; Fanizzi, Francesco P.; Deeth, Robert J.; Errington, William; Rourke, Jonathan P.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1355
• a: 20.8902 ± 0.0015 Å
• b: 34.532 ± 0.002 Å
• c: 7.5473 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5444.5 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1432
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No