Information card for entry 8103369

Structure parameters

• Formula: C64 H52 N16 Na4 O20
• Calculated formula: C64 H52 N16 Na4 O20
• Title of publication: Crystal structure of methanol[m-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-nitrobenzamide-k2N1,O1:kN2]sodium, Na(CH4O)(C15H9N4O4)
• Authors of publication: Hui Gao; Chen Xu; Lu-Meng Duan; Zhi-Qiang Wang; Yao-Ting Fan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 189
• a: 15.6635 ± 0.0002 Å
• b: 15.6635 ± 0.0002 Å
• c: 27.1833 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6669.29 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No