Information card for entry 4114786

Structure parameters

• Formula: C12 H18 Br I N2 Pt
• Calculated formula: C12 H18 Br I N2 Pt
• SMILES: [Pt]12(Br)[N](Cc3c2c(cc(I)c3)C[N]1(C)C)(C)C
• Title of publication: Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials
• Authors of publication: Gema Rodríguez; Martin Albrecht; Jeroen Schoenmaker; Alan Ford; Martin Lutz; Anthony L. Spek; Gerard van Koten
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5127 - 5138
• a: 10.7151 ± 0.0013 Å
• b: 7.3901 ± 0.0005 Å
• c: 21.018 ± 0.003 Å
• α: 90°
• β: 114.673 ± 0.009°
• γ: 90°
• Cell volume: 1512.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No