Information card for entry 4064189

Structure parameters

• Common name: ad215
• Formula: C77 H60 Cl2 N4 O3 Pt4
• Calculated formula: C77 H60 Cl2 N4 O3 Pt4
• SMILES: [Pt]123(c4cccc5ccc6ccc[n]1c6c45)[Cl][Pt]14(c5cccc6ccc7ccc[n]1c7c56)[C]([Pt]1(c5cccc6ccc7ccc[n]1c7c56)[Cl][Pt]1(c5cccc6ccc7ccc[n]1c7c56)[C]2#[C]3c1ccccc1)#[C]4c1ccccc1.O=C(C)C.O=C(C)C.O=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: 17.584 ± 0.0002 Å
• b: 17.938 ± 0.0002 Å
• c: 20.878 ± 0.0003 Å
• α: 90°
• β: 108.513 ± 0.001°
• γ: 90°
• Cell volume: 6244.59 ± 0.14 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No