Information card for entry 4316731

Structure parameters

• Formula: C15 H15 Br2 N3 O2 Pt
• Calculated formula: C15 H15 Br2 N3 O2 Pt
• SMILES: [Pt]12(Br)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.[Br-].O.O
• Title of publication: Electronic Influences on Metallophilic Interactions in [Pt(tpy)X][Au(C6F5)2] Double Salts
• Authors of publication: Val Phillips; Kathryn J. Willard; James A. Golen; Curtis J. Moore; Arnold L. Rheingold; Linda H. Doerrer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9265 - 9274
• a: 6.9548 ± 0.0007 Å
• b: 17.424 ± 0.0018 Å
• c: 13.9923 ± 0.0014 Å
• α: 90°
• β: 97.26 ± 0.001°
• γ: 90°
• Cell volume: 1682 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0381
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No