Information card for entry 8106300

Structure parameters

• Formula: C12 H14 N7 O9 Sm
• Calculated formula: C12 H14 N7 O9 Sm
• SMILES: [Sm]1234([n]5ccncc5C(C)=[N]1N=C(c1cccnc1)O2)(ON(=[O]3)=O)(ON(=[O]4)=O)([OH2])[OH2]
• Title of publication: Crystal structure of diaqua-(N-(1-(pyrazin-2-yl)ethylidene)nicotinohydrazonato-κ3 N,N′,O)-bis(nitrato-κ2 O,O′)samarium(III), C12H14N7O9Sm
• Authors of publication: Mao, Xianjie; Li, Chuntong; Xu, Gaoyuan; Li, Huijun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 801 - 802
• a: 16.77 ± 0.003 Å
• b: 7.7185 ± 0.0016 Å
• c: 15.165 ± 0.003 Å
• α: 90°
• β: 108.409 ± 0.003°
• γ: 90°
• Cell volume: 1862.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No