Information card for entry 2230659

Structure parameters

• Chemical name: Pyridinium [2,6-bis(5-phenyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine- κ<i>N</i>]tetranitrato-κ^6^<i>O</i>,<i>O</i>';κ<i>O</i>-samarium(III) pyridine monosolvate
• Formula: C33 H28 N11 O12 Sm
• Calculated formula: C33 H28 N11 O12 Sm
• SMILES: [Sm]12345([n]6[nH]c(c7ccccc7)cc6c6[n]1c(ccc6)c1[n]2[nH]c(c1)c1ccccc1)(ON(=[O]3)=O)([O]=N(=O)O4)(ON(=[O]5)=O)ON(=O)=O.[nH+]1ccccc1.n1ccccc1
• Title of publication: Pyridinium [2,6-bis(5-phenyl-1<i>H</i>-pyrazol-3-yl-κ<i>N</i>^2^)pyridine-κ<i>N</i>]tetranitrato-κ^6^<i>O</i>,<i>O</i>';κ<i>O</i>-samarium(III) pyridine monosolvate
• Authors of publication: Hu, Shui; Zhao, Yongfeng; Hu, Huai-Ming; Liu, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m945 - m946
• a: 10.5234 ± 0.0019 Å
• b: 12.826 ± 0.002 Å
• c: 14.19 ± 0.003 Å
• α: 75.97 ± 0.002°
• β: 86.453 ± 0.002°
• γ: 84.108 ± 0.002°
• Cell volume: 1847 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes