Information card for entry 7231595

Structure parameters

• Formula: C12 H20 Cl4 Cu N2
• Calculated formula: C12 H20 Cl4 Cu N2
• Title of publication: Dynamic behaviour in nonporous hybrid metal‒organic materials via mechanochemical and gas‒solid reactions
• Authors of publication: Guo, Fang; Wang, Hao-Cheng; Famulari, Antonino; Lu, Hai-Dong; Martí-Rujas, Javier
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 42
• Pages of publication: 6721
• a: 6.9225 ± 0.0006 Å
• b: 7.7077 ± 0.0006 Å
• c: 31.93 ± 0.003 Å
• α: 90°
• β: 91.279 ± 0.002°
• γ: 90°
• Cell volume: 1703.3 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.1004
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1818
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No