Information card for entry 7025016

Structure parameters

• Formula: C26 H28 Hg N4 Ni O4
• Calculated formula: C26 H28 Hg N4 Ni O4
• SMILES: [Hg]1(C#N)([O]2[Ni]34[N](=Cc5c2c(OCC)ccc5)[C@@H]2CCCC[C@H]2[N]3=Cc2c(c(OCC)ccc2)[O]14)C#N
• 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: 13.623 ± 0.003 Å
• b: 14.347 ± 0.003 Å
• c: 26.022 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5086 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No