Information card for entry 4328997

Structure parameters

• Formula: C4 H12 Cl2 Cu N20
• Calculated formula: C4 H12 Cl2 Cu N20
• SMILES: c1([nH]nn[n]1[Cu](Cl)(Cl)([n]1c([nH]nn1)N)([n]1c([nH]nn1)N)[n]1c([nH]nn1)N)N
• Title of publication: Two Acentric Mononuclear Molecular Complexes with Unusual Magnetic and Ferroelectric Properties
• Authors of publication: Fang-Hua Zhao; Yun-Xia Che; Ji-Min Zheng; Fernande Grandjean; Gary J. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4862 - 4868
• a: 9.5134 ± 0.001 Å
• b: 9.5134 ± 0.001 Å
• c: 8.8507 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 801 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 104
• Hermann-Mauguin space group symbol: P 4 n c
• Hall space group symbol: P 4 -2n
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No