Information card for entry 8102160

Structure parameters

• Chemical name: catena-(tetraaqua-hexakis(N-p-tolylsulfonylglycinato)dineodymium) dihydrate methanol hemisolvate
• Formula: C54.5 H74 N6 Nd2 O30.5 S6
• Calculated formula: C54.5 H73 N6 Nd2 O30.5 S6
• Title of publication: Crystal structure of catena-(tetraaqua-hexakis(N-p-tolylsulfonylglycinato) dineodymium) dihydrate methanol hemisolvate, Nd~2~(H~2~O)~4~(C~9~H~10~NO~4~S) ~6~ · 2H~2~O · 0.5CH~3~OH
• Authors of publication: Chen, Man-Sheng; Kuang, Dai-Zhi; Zhang, Chun-Hua; Deng, Yi-Fang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 303 - 306
• a: 12.927 ± 0.001 Å
• b: 16.841 ± 0.002 Å
• c: 17.478 ± 0.002 Å
• α: 83.93 ± 0.008°
• β: 76.23 ± 0.01°
• γ: 74.52 ± 0.01°
• Cell volume: 3558 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No