Information card for entry 2228642

Structure parameters

• Chemical name: Chloridobis(1,10-phenanthroline)zinc(II) tetrachlorido(1,10-phenanthroline)bismuthate(III) monohydrate
• Formula: C36 H26 Bi Cl5 N6 O Zn
• Calculated formula: C36 H24 Bi Cl5 N6 O Zn
• SMILES: [Bi]1(Cl)(Cl)(Cl)(Cl)[n]2cccc3c2c2[n]1cccc2cc3.[Zn]12(Cl)([n]3cccc4c3c3[n]1cccc3cc4)[n]1cccc3c1c1[n]2cccc1cc3.O
• Title of publication: Chloridobis(1,10-phenanthroline)zinc(II) tetrachlorido(1,10-phenanthroline)bismuthate(III) monohydrate
• Authors of publication: Song, Chunlei; Chai, Wenxiang; Song, Li; Yang, Yunyun; Lin, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: m109 - m110
• a: 9.748 ± 0.002 Å
• b: 13.694 ± 0.004 Å
• c: 14.249 ± 0.004 Å
• α: 86.848 ± 0.007°
• β: 74.66 ± 0.005°
• γ: 80.692 ± 0.007°
• Cell volume: 1810 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes