Information card for entry 7231246

Structure parameters

• Formula: C38 H32 Cl4 Cu2 N6 O2
• Calculated formula: C38 H32 Cl4 Cu2 N6 O2
• Title of publication: Coordination preference of hexa(2-pyridyl)benzene with copper(ii) directed by hydrogen bonding
• Authors of publication: Kwon, Hyunchul; Lee, Eunsung
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 5233
• a: 9.263 ± 0.003 Å
• b: 11.838 ± 0.004 Å
• c: 17.404 ± 0.006 Å
• α: 85.27 ± 0.012°
• β: 89.651 ± 0.012°
• γ: 86.12 ± 0.012°
• Cell volume: 1897.6 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No