Information card for entry 2207745

Structure parameters

• Chemical name: {Bis[aqua(1,10-phenanthroline)]zinc(II)}^.^pamoato^.^ monohydrate
• Formula: C47 H36 N4 O9 Zn
• Calculated formula: C47 H36 N4 O9 Zn
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Zn]14([OH2])([n]2cccc3ccc4ccc[n]1c4c23)[OH2].[O-]C(=O)c1c(O)c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c2c(c1)cccc2.O
• Title of publication: Diaquabis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')zinc(II) pamoate monohydrate
• Authors of publication: Ai-Qing Ma; Zhen-Bin Jia; Guo-Ping Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: m21 - m23
• a: 15.6006 ± 0.0011 Å
• b: 22.8892 ± 0.0017 Å
• c: 11.5193 ± 0.0008 Å
• α: 90°
• β: 115.704 ± 0.002°
• γ: 90°
• Cell volume: 3706.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1009
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes