Information card for entry 4322892

Structure parameters

• Formula: C4 H16 Cl4 Cu N2 O2
• Calculated formula: C4 H16 Cl4 Cu N2 O2
• SMILES: C1[NH2+]CC[NH2+]C1.O.Cl[Cu](Cl)([Cl-])[Cl-].O
• Title of publication: Thermochromism and Structure of Piperazinium Tetrachlorocuprate(II) Complexes
• Authors of publication: Mark J. Riley; Debora Neill; Paul V. Bernhardt; Karl A. Byriel; Colin H. L. Kennard
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3635 - 3639
• a: 10.538 ± 0.003 Å
• b: 7.4312 ± 0.0005 Å
• c: 17.281 ± 0.004 Å
• α: 90°
• β: 111.9 ± 0.01°
• γ: 90°
• Cell volume: 1255.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.026
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.0627
• Goodness-of-fit parameter for all reflections: 1.138
• Goodness-of-fit parameter for significantly intense reflections: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No