Information card for entry 7053878

Structure parameters

• Formula: C26 H23 F6 Gd N9 O6 P
• Calculated formula: C26 H23 F6 Gd N9 O6 P
• SMILES: c1cccc2c3cccc4C=[N]5CC[N]6=Cc7cccc8c9cccc[n]9[Gd]9%1056([n]12)([n]34)([n]78)(ON(=[O]9)=O)ON(=[O]%10)=O.C(#N)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Luminescence behaviour in acetonitrile and in the solid state of a series of lanthanide complexes with a single helical ligand
• Authors of publication: Hasegawa, Miki; Ohtsu, Hideki; Kodama, Daisuke; Kasai, Takeshi; Sakurai, Shoya; Ishii, Ayumi; Suzuki, Kengo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 3
• Pages of publication: 1225
• a: 9.0151 ± 0.0007 Å
• b: 12.214 ± 0.0009 Å
• c: 16.1835 ± 0.0012 Å
• α: 112.036 ± 0.001°
• β: 104.297 ± 0.001°
• γ: 91.826 ± 0.001°
• Cell volume: 1585.2 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No