Information card for entry 2235814

Structure parameters

• Chemical name: Diaqua[μ-11,23-di-<i>tert</i>-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^<i>N</i>^3^<i>,N</i>^7^,<i>O</i>^25^,<i>O</i>^26^:κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>^25^,<i>O</i>^26^]dicopper(II) bis(perchlorate)
• Formula: C30 H42 Cl2 Cu2 N4 O12
• Calculated formula: C30 H42 Cl2 Cu2 N4 O12
• Title of publication: Diaqua[μ-11,23-di-<i>tert</i>-butyl-3,7,15,19-tetraazatricyclo[19.3.1.1^9,13^]tetracosa-1(25),2,6,9,11,13(26),14,19,21,23-dodecaene-25,26-diolato-κ^4^<i>N</i>^3^,<i>N</i>^7^,<i>O</i>^25^,<i>O</i>^26^:κ^4^<i>N</i>^15^,<i>N</i>^19^,<i>O</i>^25^,<i>O</i>^26^]dicopper(II) bis(perchlorate)
• Authors of publication: Xu, Qiang; Wang, Zhaodong; He, Jiahong; Song, Zhongrong; Chen, Fengming; Meng, Jiangping; Hu, Chengbo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1060 - m1061
• a: 18.9013 ± 0.0004 Å
• b: 18.9013 ± 0.0004 Å
• c: 9.9174 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3543.08 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes