Information card for entry 2202420

Structure parameters

• Chemical name: Aqua(5,17-dihydroxy-11,23-dimethylbicyclo[18.3.1.1^9,13^]hexacosa- 1(25),2,7,9,11,13(26),21,23-octaene-25,26-diolato)dinitrato-κ^2^O,O';κO- gadolinium nitrate‒methanol‒water (1/0.5/1.75)
• Formula: C24.5 H35.5 Gd N7 O16.25
• Calculated formula: C24.5 H35.5 Gd N7 O16.25
• Title of publication: Aqua[5,17-dihydroxy-11,23-dimethylbicyclo[18.3.1.1^9,13^]hexacosa-1(25),2,7,9,11,13(26),21,23-octaene-25,26-diolato]dinitrato-κ^2^<i>O,O</i>';κ<i>O</i>-gadolinium nitrate‒methanol‒water (1/0.5/1.75)
• Authors of publication: Hu, Xue-Lei; Li, Yi-Zhi; Luo, Qin-Hui; Mei, Guang-Quan; Wang, Zhi-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m491 - m493
• a: 24.281 ± 0.003 Å
• b: 17.339 ± 0.002 Å
• c: 17.715 ± 0.002 Å
• α: 90°
• β: 103.63 ± 0.01°
• γ: 90°
• Cell volume: 7248.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0582
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes