Information card for entry 7120207

Structure parameters

• Formula: C82 H56 Ag2 F4 N10 Pt2
• Calculated formula: C82 H56 Ag2 F4 N10 Pt2
• SMILES: [Ag]([n]1n(c(cc1c1ccccc1)c1ccccc1)[Pt]1(c2c(c3[n]1cccc3)c(cc(c2)F)F)n1[n](c(cc1c1ccccc1)c1ccccc1)[Ag]1)[n]2n([Pt]3(c4c(c5[n]3cccc5)c(cc(c4)F)F)n3[n]1c(cc3c1ccccc1)c1ccccc1)c(cc2c1ccccc1)c1ccccc1
• 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: 23.523 ± 0.005 Å
• b: 14.927 ± 0.003 Å
• c: 19.897 ± 0.005 Å
• α: 90°
• β: 109.989 ± 0.003°
• γ: 90°
• Cell volume: 6566 ± 3 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 6
• 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: 0.1125
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No