Information card for entry 2213148

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- N^3^,N^6^,N^9^,O^29^,O^30^)bis(nitrato-κ^2^O,O')gadolinium(III) nitrate hydrate
• Formula: C26 H36 Gd N9 O12
• Calculated formula: C26 H36 Gd 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>')gadolinium(III) nitrate monohydrate
• Authors of publication: Hu, Xue-Lei; Qiu, Li; Yuan, Jun; Pan, Zhi-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: m1438 - m1438
• a: 23.764 ± 0.003 Å
• b: 14.298 ± 0.003 Å
• c: 19.804 ± 0.002 Å
• α: 90°
• β: 91.769 ± 0.002°
• γ: 90°
• Cell volume: 6725.8 ± 1.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No