Information card for entry 4063344

Structure parameters

• Formula: C19 H25 Cl2 N5 Pt
• Calculated formula: C19 H25 Cl2 N5 Pt
• SMILES: [Pt]12(=C3N(C=CN3c3[n]1c(N1C=2N(C=C1)CCCC)ccc3)CCCC)Cl.[Cl-]
• Title of publication: Water-Induced Changes of Photoluminescence of a Pincer-Type N-Heterocyclic Carbene Platinum(II) Complex
• Authors of publication: Lee, Chen-Shiang; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 286
• a: 10.3263 ± 0.0008 Å
• b: 11.8733 ± 0.0009 Å
• c: 12.352 ± 0.001 Å
• α: 62.968 ± 0.002°
• β: 67.171 ± 0.002°
• γ: 72.603 ± 0.002°
• Cell volume: 1229.37 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No