Information card for entry 4064668

Structure parameters

• Formula: C30.5 H30 Cl F12 N5 O P2 Pt
• Calculated formula: C30.5 H30 Cl F12 N5 O P2 Pt
• SMILES: [Pt]12(=C3N(C=CN3c3c(C)cc(cc3C)C)c3cccc(N4C=1N(C=C4)c1c(cc(cc1C)C)C)[n]23)C#[O].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Size-Selective Vapochromic Platinum(II) Complex with a Sterically Demanding Pincer-Type N-Heterocyclic Carbene Ligand
• Authors of publication: Lee, Chen-Shiang; Zhuang, Rui Rui; Sabiah, Shahulhameed; Wang, Ju-Chun; Hwang, Wen-Shu; Lin, Ivan J. B.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 14
• Pages of publication: 3897
• a: 42.657 ± 0.006 Å
• b: 21.943 ± 0.002 Å
• c: 16.483 ± 0.0018 Å
• α: 90°
• β: 94.191 ± 0.004°
• γ: 90°
• Cell volume: 15387 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No