Information card for entry 7115894

Structure parameters

• Formula: C21 H26 Cl N3 O11 Pt S
• Calculated formula: C21 H22 Cl N3 O11 Pt S
• SMILES: [Pt]12(S[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)[n]3ccccc3c3[n]1c(c1[n]2cccc1)ccc3.Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Counteranion-dependent mechanochromism of a photoluminescent platinum(II) complex with mixed terpyridine and thioglucose
• Authors of publication: Naoki Kitani; Naoto Kuwamura; Toshiaki Tsukuda; Nobuto Yoshinari; Takumi Konno
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13529
• a: 4.9262 ± 0.0011 Å
• b: 38.578 ± 0.009 Å
• c: 13.082 ± 0.004 Å
• α: 90°
• β: 94.038 ± 0.008°
• γ: 90°
• Cell volume: 2480 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2182
• Residual factor for significantly intense reflections: 0.1332
• Weighted residual factors for significantly intense reflections: 0.2876
• Weighted residual factors for all reflections included in the refinement: 0.3226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No