Information card for entry 7016549

Structure parameters

• Formula: C49 H43 N2 P2 Pt2
• Calculated formula: C49 H43 N2 P2 Pt2
• SMILES: [Pt]1(P(=C[P]([Pt]2([n]3ccccc3c3c2cccc3)C)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)([n]2ccccc2c2c1cccc2)C
• Title of publication: Synthesis, structure and photophysical properties of binuclear methylplatinum complexes containing cyclometalating 2-phenylpyridine or benzo{h}quinoline ligands: a comparison of intramolecular Pt-Pt and π-π interactions.
• Authors of publication: Jamali, Sirous; Czerwieniec, Rafal; Kia, Reza; Jamshidi, Zahra; Zabel, Manfred
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9123 - 9130
• a: 9.5031 ± 0.0019 Å
• b: 11.975 ± 0.002 Å
• c: 18.978 ± 0.004 Å
• α: 101.34 ± 0.03°
• β: 90.1 ± 0.03°
• γ: 109.02 ± 0.03°
• Cell volume: 1996.9 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0478
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No