Information card for entry 1501623

Structure parameters

• Formula: C4 H14 Cl4 Cu N2
• Calculated formula: C4 H14 Cl4 Cu N2
• SMILES: C(C[NH3+])CC[NH3+].[Cu](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Structures and thermal behavior in the series of two-dimensional molecular composites NH~3~-(CH~2~)~4~-NH~3~ MCl~4~ related to the nature of the metal M. Part 1 : Crystal structure and phase transition in the case M=Cu and Pd.
• Authors of publication: Thierry Maris; Georges Bravic; Nguyen Ba Chan; Jean-Michel Leger; Jean-Claude Bissey; Antoine Villesuzanne; Ridha Zouari; Abdelaziz Daoud
• Journal of publication: J. Phys. Chem. Solids
• Year of publication: 1996
• Journal volume: 57
• Pages of publication: 1963 - 1975
• a: 10.419 ± 0.003 Å
• b: 7.442 ± 0.001 Å
• c: 7.225 ± 0.005 Å
• α: 90°
• β: 93.46 ± 0.04°
• γ: 90°
• Cell volume: 559.2 ± 0.4 ų
• 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 significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0812
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No