Information card for entry 7707056

Structure parameters

• Chemical name: Complex-1
• Formula: C172 H167 N6 Nd14 O80
• Calculated formula: C172 H167 N6 Nd14 O80
• Title of publication: Construction of a high-nuclearity Nd(III) nanoring for the NIR luminescent detection of antibiotics.
• Authors of publication: Hao, Wenxin; Yang, Xiaoping; Ma, Yanan; Niu, Mengyu; Shi, Dongliang; Schipper, Desmond
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 17
• Pages of publication: 5865 - 5870
• a: 31.92 ± 0.004 Å
• b: 21.654 ± 0.003 Å
• c: 39.071 ± 0.005 Å
• α: 90°
• β: 90.011 ± 0.002°
• γ: 90°
• Cell volume: 27006 ± 6 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No