Information card for entry 4330620

Structure parameters

• Common name: Bis(p-methoxyphenylisocyanide) platinum dichloride CH2Cl2 hemisolvate
• Chemical name: cis-Dichlorobis(4-methoxyphenylisocyanide)platinum(II) dichloromethane hemisolvate
• Formula: C16.5 H15 Cl3 N2 O2 Pt
• Calculated formula: C16.5 H15 Cl3 N2 O2 Pt
• SMILES: [Pt](Cl)(Cl)(C#[N]c1ccc(cc1)OC)C#[N]c1ccc(cc1)OC.C(Cl)Cl
• Title of publication: Interplay of Metallophilic Interactions, π-π Stacking, and Ligand Substituent Effects in the Structures and Luminescence Properties of Neutral PtII and PdII Aryl Isocyanide Complexes
• Authors of publication: Ilya M. Sluch; Anthea J. Miranda; Oussama Elbjeirami; Mohammad A. Omary; LeGrande M. Slaughter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 10728 - 10746
• a: 8.9518 ± 0.0001 Å
• b: 15.3609 ± 0.0002 Å
• c: 15.4429 ± 0.0003 Å
• α: 113.331 ± 0.001°
• β: 97.016 ± 0.001°
• γ: 100.525 ± 0.001°
• Cell volume: 1872.06 ± 0.05 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No