Information card for entry 2213818

Structure parameters

• Chemical name: [13,27-Dimethyl-3,6,9,17,20,23-hexaazatricyclo[23.3.1.1^11,15^]triaconta- 1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol- κ^5^N^3^,N^6^,N^9^,O^29^,O^30^]bis(nitrato-κ^2^O,O')lutetium(III)– nitrate–water–ethyl acetate (1/1/0.5/0.25)
• Formula: C27 H37 Lu N9 O12
• Calculated formula: C27 H37 Lu N9 O12
• Title of publication: [13,27-Dimethyl-3,6,9,17,20,23-hexaazatricyclo[23.3.1.1^11,15^]triaconta-1(29),2,9,11,13,15(30),16,23,25,27-decaene-29,30-diol-κ^5^<i>N</i>^3^,<i>N</i>^6^,<i>N</i>^9^,<i>O</i>^29^,<i>O</i>^30^]bis(nitrato-κ^2^<i>O</i>,<i>O</i>')lutetium(III)–nitrate–water–ethyl acetate (1/1/0.5/0.25)
• Authors of publication: Hu, Xue-Lei; Chen, Zhong; Qiu, Li; Pan, Zhi-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1668 - m1669
• a: 24.649 ± 0.003 Å
• b: 14.0182 ± 0.0011 Å
• c: 21.4453 ± 0.0017 Å
• α: 90°
• β: 102.307 ± 0.002°
• γ: 90°
• Cell volume: 7239.8 ± 1.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes