Information card for entry 7040764

Structure parameters

• Formula: C29.5 H26.5 Cl6.5 N4 P2 Pt
• Calculated formula: C28 H24 Cl2 N4 P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P](c2ncccc2)(c2ncccc2)Cc2c(cccc2)C[P]1(c1ccccn1)c1ncccc1
• Title of publication: Transition metal complexes of the pyridylphosphine ligand o-C6H4(CH2PPy2)2.
• Authors of publication: Vaughan, Teresa F.; Spencer, John L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16826 - 16837
• a: 14.5058 ± 0.0005 Å
• b: 10.2019 ± 0.0005 Å
• c: 22.9424 ± 0.0008 Å
• α: 90°
• β: 91.017 ± 0.003°
• γ: 90°
• Cell volume: 3394.6 ± 0.2 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 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: 0.0305
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No