Information card for entry 7025017

Structure parameters

• Formula: C24 H26 Cu Hg3 N6 O16
• Calculated formula: C24 H26 Cu Hg3 N6 O16
• SMILES: [Hg]123([O](CC)c4c5[O]1[Cu]16[N](=Cc5cc([Hg]ON(=O)=O)c4)[C@@H]4CCCC[C@H]4[N]1=Cc1c(c([O]3CC)cc([Hg]ON(=O)=O)c1)[O]26)(ON(=O)=O)ON(=O)=O
• Title of publication: Amalgamating metalloligands with coordination networks.
• Authors of publication: Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 1941 - 1947
• a: 17.07 ± 0.003 Å
• b: 9.5066 ± 0.0019 Å
• c: 20.658 ± 0.004 Å
• α: 90°
• β: 110.81 ± 0.03°
• γ: 90°
• Cell volume: 3133.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No