Information card for entry 4333931

Structure parameters

• Formula: C59 H47 Cl8 N3 O Pt
• Calculated formula: C59 H47 Cl8 N3 O Pt
• SMILES: c1c2c3=C(C4c5ccccc5[C@]56[N]=4[Pt](Cl)([N]4=C(C(=c([nH]3)c2ccc1)c1ccc(cc1)C)c1ccccc1[C@@]4(O5)C(=C6c1ccc(cc1)C)c1ccc(cc1)C)Cl)c1ccc(cc1)C.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Characterization of New Platinum(II) and Platinum(IV) Triphyrin Complexes
• Authors of publication: Zhaoli Xue; Daiki Kuzuhara; Shinya Ikeda; Tetsuo Okujima; Shigeki Mori; Hidemitsu Uno; Hiroko Yamada
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1688 - 1690
• a: 9.17 ± 0.01 Å
• b: 26.13 ± 0.03 Å
• c: 11.528 ± 0.013 Å
• α: 90°
• β: 96.222 ± 0.016°
• γ: 90°
• Cell volume: 2746 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0937
• Residual factor for significantly intense reflections: 0.0876
• Weighted residual factors for significantly intense reflections: 0.2268
• Weighted residual factors for all reflections included in the refinement: 0.2339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No