Information card for entry 7015225

Structure parameters

• Formula: C11 H18 Br2 N4 O3 Pt S
• Calculated formula: C11 H18 Br2 N4 O3 Pt S
• Title of publication: N-heterocyclic carbene Pt(II) complexes from caffeine: synthesis, structures and photoluminescent properties.
• Authors of publication: Hu, Jian Jin; Bai, Shi-Qiang; Yeh, Hsiu Hsuan; Young, David J.; Chi, Yun; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4402 - 4406
• a: 8.0003 ± 0.0019 Å
• b: 8.957 ± 0.002 Å
• c: 12.129 ± 0.003 Å
• α: 90°
• β: 102.276 ± 0.005°
• γ: 90°
• Cell volume: 849.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1499
• 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: Yes
• Has Fobs: No