Information card for entry 2018994

Structure parameters

• Chemical name: <i>catena</i>-Poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]
• Formula: C10 H16 Cd Cl3 N
• Calculated formula: C10 H16 Cd Cl3 N
• SMILES: [Cd]12(Cl)(Cl)(Cl)[Cl][Cd]([Cl]1)[Cl]2.C[N+](C)(C)Cc1ccccc1.C[N+](C)(C)Cc1ccccc1
• Title of publication: A one-dimensional <i>ABX</i>~3~-type coordination polymer: <i>catena</i>-poly[benzyltrimethylammonium [tri-μ-chlorido-cadmium(II)]]
• Authors of publication: Wu, De-Hong; Jin, Lei
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: 491 - 493
• a: 6.7538 ± 0.0014 Å
• b: 22.852 ± 0.005 Å
• c: 8.959 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1382.7 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes