Information card for entry 4064669

Structure parameters

• Formula: C30 H30 F6 N5 O2 P Pt
• Calculated formula: C30 H30 F6 N5 O2 P Pt
• SMILES: [Pt]12([n]3c(N4C=2N(C=C4)c2c(C)cc(cc2C)C)cccc3N2C=1N(C=C2)c1c(cc(cc1C)C)C)C(=O)O.[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: 28.281 ± 0.017 Å
• b: 14.886 ± 0.011 Å
• c: 30.24 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12731 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1648
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No