Information card for entry 7038541

Structure parameters

• Formula: C15 H16 Cl2 N2 O2 Pt
• Calculated formula: C15 H16 Cl2 N2 O2 Pt
• SMILES: c12[Pt]3([n]4c(c2cccc1)cccc4)[NH](CC(=O)O3)C.C(Cl)Cl
• Title of publication: Mechanochromism in the luminescence of novel cyclometalated platinum(ii) complexes with α-aminocarboxylates.
• Authors of publication: Ohno, Keiji; Yamaguchi, Shohei; Nagasawa, Akira; Fujihara, Takashi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5492 - 5503
• a: 23.7936 ± 0.0019 Å
• b: 13.7569 ± 0.0011 Å
• c: 10.2752 ± 0.0008 Å
• α: 90°
• β: 93.916 ± 0.001°
• γ: 90°
• Cell volume: 3355.5 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No