Information card for entry 2218983

Structure parameters

• Chemical name: Bis(triphenylguanidinium) tetrachloridocuprate
• Formula: C38 H36 Cl4 Cu N6
• Calculated formula: C38 H36 Cl4 Cu N6
• SMILES: C(=[NH+]c1ccccc1)(Nc1ccccc1)Nc1ccccc1.[Cu](Cl)(Cl)([Cl-])[Cl-].C(=[NH+]c1ccccc1)(Nc1ccccc1)Nc1ccccc1
• Title of publication: Bis(triphenylguanidinium) tetrachloridocuprate(II)
• Authors of publication: Pereira Silva, P. S.; Martins, N. D.; Ramos Silva, M.; Matos Beja, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: m1083
• a: 11.5893 ± 0.0013 Å
• b: 8.2404 ± 0.0009 Å
• c: 22.364 ± 0.002 Å
• α: 90°
• β: 119.423 ± 0.007°
• γ: 90°
• Cell volume: 1860.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2188
• Residual factor for significantly intense reflections: 0.0967
• Weighted residual factors for significantly intense reflections: 0.2629
• Weighted residual factors for all reflections included in the refinement: 0.3194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes