Information card for entry 7016551

Structure parameters

• Formula: C30 H28 I2 N2 Pt2
• Calculated formula: C30 H28 I2 N2 Pt2
• SMILES: c1ccc2ccc3cccc4c3c2[n]1[Pt]14([I][Pt]2([I]1)([n]1cccc3ccc4cccc2c4c13)(C)C)(C)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: 6.8451 ± 0.0005 Å
• b: 19.914 ± 0.002 Å
• c: 20.9767 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2859.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No