Information card for entry 7210310

Structure parameters

• Formula: C4 H12 Cl4 Cu N2
• Calculated formula: C4 H12 Cl4 Cu N2
• SMILES: C1[NH2+]CC[NH2+]C1.Cl[Cu](Cl)([Cl-])[Cl-]
• Title of publication: A new copper chloride chain by supported hydrogen bonding
• Authors of publication: Tuikka, Matti; Kersen, Ülo; Haukka, Matti
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 31
• Pages of publication: 6177
• a: 7.6443 ± 0.0004 Å
• b: 7.6443 ± 0.0004 Å
• c: 19.1597 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1119.6 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0154
• Weighted residual factors for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.0368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No