Information card for entry 4064187

Structure parameters

• Common name: Compound X
• Formula: C40.5 H34 Cl2 N2 Pt2
• Calculated formula: C40 H33 Cl N2 Pt2
• SMILES: [Pt]23(c4ccccc4c4[n]2c(ccc4)c2ccccc2)[Cl][Pt]24(c5ccccc5c5[n]2c(ccc5)c2ccccc2)[C]3#[C]4C(C)(C)C
• Title of publication: Remarkable Influence of the Cyclometalating Ligand on the Nuclearity and Properties of Heterobridged (μ-X)(μ-C≡CR) Platinum(II) Complexes
• Authors of publication: Berenguer, Jesús R.; Díez, Álvaro; García, Ana; Lalinde, Elena; Moreno, M. Teresa; Sánchez, Sergio; Torroba, Javier
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1646
• a: 41.697 ± 0.0005 Å
• b: 41.697 ± 0.0005 Å
• c: 11.043 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 16627.5 ± 0.8 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No