Information card for entry 7026447

Structure parameters

• Formula: C20 H28 N4 O13 P2 Pd2
• Calculated formula: C20 H28 N4 O13 P2 Pd2
• SMILES: [Pd]12(OP(=O)(O3)OP(=O)(O1)O[Pd]13[n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.O.O.O.O.O.O
• Title of publication: A fluorescent sensor for pyrophosphate based on a Pd(II) complex.
• Authors of publication: Gao, Jie; Riis-Johannessen, Thomas; Scopelliti, Rosario; Qian, Xuhong; Severin, Kay
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 7114 - 7118
• a: 16.583 ± 0.003 Å
• b: 12.6047 ± 0.0015 Å
• c: 13.4967 ± 0.0006 Å
• α: 90°
• β: 105.85 ± 0.008°
• γ: 90°
• Cell volume: 2713.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0164
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No