Information card for entry 4082368

Structure parameters

• Formula: C32.5 H22 Cl2 N4 Pt
• Calculated formula: C32.5 H22 Cl2 N4 Pt
• SMILES: [Pt]12(c3c(cccc3c3[n]2c2c(n3c3ccccc3)cccc2)c2[n]1c1ccccc1n2c1ccccc1)Cl.C(Cl)Cl
• Title of publication: Chemosensing of Chloride Based on a Luminescent Platinum(II) NCN Pincer Complex in Aqueous Media
• Authors of publication: Dorazco-Gonzalez, Alejandro
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 4
• Pages of publication: 868
• a: 13.7429 ± 0.0016 Å
• b: 14.395 ± 0.003 Å
• c: 15.495 ± 0.002 Å
• α: 113.67 ± 0.014°
• β: 92.1 ± 0.012°
• γ: 107.252 ± 0.01°
• Cell volume: 2638.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No