Information card for entry 2239057

Structure parameters

• Chemical name: Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate
• Formula: C24 H20 Cl4 N4 O Zn
• Calculated formula: C24 H20 Cl4 N4 O Zn
• SMILES: [nH+]1cccc2ccc3cccnc3c12.[nH+]1cccc2ccc3cccnc3c12.[Zn](Cl)(Cl)([Cl-])[Cl-].O
• Title of publication: Bis(1,10-phenanthrolin-1-ium) tetrachloridozincate monohydrate
• Authors of publication: Govindan, E.; Thirumurugan, Subramani; Ganeshraja, Ayyakannu Sundaram; Anbalagan, Krishnamoorthy; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: m53
• a: 14.6046 ± 0.0005 Å
• b: 10.8008 ± 0.0003 Å
• c: 16.3151 ± 0.0006 Å
• α: 90°
• β: 107.39 ± 0.004°
• γ: 90°
• Cell volume: 2455.93 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes