Information card for entry 7231245

Structure parameters

• Formula: C36 H37.5 Cl4 Cu2 N6 O6.75
• Calculated formula: C36 H37.5 Cl4 Cu2 N6 O6.75
• 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: 12.509 ± 0.003 Å
• b: 13.689 ± 0.003 Å
• c: 14.613 ± 0.003 Å
• α: 94.72 ± 0.03°
• β: 115.28 ± 0.03°
• γ: 114.86 ± 0.03°
• Cell volume: 1945.6 ± 1.3 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: 0.1008
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No