Information card for entry 2223572

Structure parameters

• Chemical name: Bis(μ-cyclohexane-1,3-dicarboxylato)-κ^3^<i>O</i>^1^: <i>O</i>^4^,<i>O</i>^4'^;κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^- bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]
• Formula: C40 H40 N4 O10 Zn2
• Calculated formula: C40 H40 N4 O10 Zn2
• SMILES: C1[C@H]2C(=O)O[Zn]34([n]5cccc6c5c5[n]3cccc5cc6)([OH2])[O]=C([C@@H]3CCC[C@@H](C3)C(=O)O[Zn]35([n]6cccc7ccc8ccc[n]3c8c67)([O]=C([C@@H](CC1)C2)O5)[OH2])O4
• Title of publication: Bis(μ-cyclohexane-1,3-dicarboxylato)-κ^3^<i>O</i>^1^:<i>O</i>^4^,<i>O</i>^4'^;κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^-bis[aqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II)]
• Authors of publication: Rizal, Mohd. Razali; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: m1178
• a: 9.6172 ± 0.0002 Å
• b: 17.4722 ± 0.0005 Å
• c: 11.4822 ± 0.0003 Å
• α: 90°
• β: 104.393 ± 0.002°
• γ: 90°
• Cell volume: 1868.84 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes