Information card for entry 7025018

Structure parameters

• Formula: C24 H28 Br2 Hg N2 Ni O4
• Calculated formula: C24 H28 Br2 Hg N2 Ni O4
• SMILES: [Hg]1(Br)(Br)[O]2[Ni]34[N](=Cc5c2c(OCC)ccc5)[C@@H]2CCCC[C@H]2[N]3=Cc2c(c(OCC)ccc2)[O]14
• 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: 11.0776 ± 0.0012 Å
• b: 17.2924 ± 0.0013 Å
• c: 14.1961 ± 0.0014 Å
• α: 90°
• β: 107.22 ± 0.008°
• γ: 90°
• Cell volume: 2597.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No