Information card for entry 7120209

Structure parameters

• Formula: C42 H34 Cl3 N5 Pt
• Calculated formula: C42 H34 Cl3 N5 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)cccc2)([n]1[nH]c(cc1c1ccccc1)c1ccccc1)[n]1[nH]c(cc1c1ccccc1)c1ccccc1.[Cl-].C(Cl)Cl
• Title of publication: Reversible formation and cleavage of Pt→Ag dative bonds in a pre-organized cavity of a luminescent heteropolynuclear platinum(ii) complex
• Authors of publication: Ueda, Misa; Horiuchi, Shinnosuke; Sakuda, Eri; Nakao, Yoshihide; Arikawa, Yasuhiro; Umakoshi, Keisuke
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.354 ± 0.002 Å
• b: 20.314 ± 0.003 Å
• c: 23.041 ± 0.004 Å
• α: 90°
• β: 93.005 ± 0.002°
• γ: 90°
• Cell volume: 7176.6 ± 1.9 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No