Information card for entry 7038538

Structure parameters

• Formula: C14 H14 N2 O2 Pt
• Calculated formula: C14 H14 N2 O2 Pt
• SMILES: [C@@H]1(C(=O)O[Pt]2(c3c(c4cccc[n]24)cccc3)[NH2]1)C
• 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: 4.0937 ± 0.0004 Å
• b: 10.2147 ± 0.0009 Å
• c: 31.067 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1299.1 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0174
• Residual factor for significantly intense reflections: 0.0167
• Weighted residual factors for significantly intense reflections: 0.0347
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No