Information card for entry 7230033

Structure parameters

• Formula: C24 H18 Er N11 O15
• Calculated formula: C24 H16 Er N11 O15
• Title of publication: Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine
• Authors of publication: Zeng, Cheng-Hui; Wu, Haiming; Luo, Zhixun; Yao, Jiannian
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1123
• a: 10.564 ± 0.002 Å
• b: 12.125 ± 0.002 Å
• c: 12.807 ± 0.003 Å
• α: 111.07 ± 0.03°
• β: 91.16 ± 0.03°
• γ: 101.61 ± 0.03°
• Cell volume: 1491.7 ± 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: 0.0334
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0746
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No