Information card for entry 2017508

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(trimethylphenylammonium) [hexa-μ-chlorido-dichloridotricuprate(II)]]
• Formula: C18 H28 Cl8 Cu3 N2
• Calculated formula: C18 H28 Cl8 Cu3 N2
• SMILES: [Cu]12([Cl][Cu]3([Cl][Cu](Cl)([Cl]3)(Cl)Cl)[Cl]1)(Cl)[Cl][Cu]1([Cl][Cu]3([Cl][Cu](Cl)[Cl]3)[Cl]1)(Cl)[Cl]2.[N+](c1ccccc1)(C)(C)C.[N+](c1ccccc1)(C)(C)C.[N+](c1ccccc1)(C)(C)C.[N+](c1ccccc1)(C)(C)C
• Title of publication: <i>catena</i>-Poly[bis(trimethylphenylammonium) [hexa-μ-chlorido-dichloridotricuprate(II)]]: an alternating zigzag chain of CuCl~4~ and Cu~2~Cl~6~ complexes
• Authors of publication: Bond, Marcus R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m17 - m21
• a: 7.4496 ± 0.0001 Å
• b: 10.0211 ± 0.0002 Å
• c: 18.4713 ± 0.0004 Å
• α: 90°
• β: 99.42 ± 0.001°
• γ: 90°
• Cell volume: 1360.35 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0775
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes