Information card for entry 4305454

Structure parameters

• Formula: C37 H38 Cl4 N4 O Pd2 Si2
• Calculated formula: C37 H38 Cl4 N4 O Pd2 Si2
• SMILES: [Pd]1(Cl)(Cl)[n]2cc([Si](C)(c3ccccc3)c3c[n]([Pd](Cl)(Cl)[n]4cc([Si](C)(c5ccccc5)c5c[n]1ccc5)ccc4)ccc3)ccc2.O=C(C)C
• Title of publication: Cyclodimers versus Cyclotrimers via Solvent or Temperature Effects on Metallacyclization
• Authors of publication: Hyun Ji Kang; Tae Hwan Noh; Jong Sung Jin; Ok-Sang Jung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5528 - 5530
• a: 13.9305 ± 0.001 Å
• b: 13.351 ± 0.0009 Å
• c: 22.3537 ± 0.0015 Å
• α: 90°
• β: 106.618 ± 0.002°
• γ: 90°
• Cell volume: 3983.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.1314
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.167
• Weighted residual factors for all reflections included in the refinement: 0.2696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No