Information card for entry 7227691

Structure parameters

• Formula: C30.5 H32.5 Cl Cu N4 O10
• Calculated formula: C30.5 H32.5 Cl Cu N4 O10
• Title of publication: Synthetic control of coincidental formation of an N-heterocyclic carbene‒copper(i) complex and imidazolium cations within metal‒organic frameworks
• Authors of publication: Lee, Hyun-Jung; Kwon, Hyunchul; Sim, Jaeung; Song, Dalnim; Kim, Yonghwi; Kim, Jaheon; Kim, Kimoon; Lee, Eunsung
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 11
• Pages of publication: 1528
• a: 9.2442 ± 0.0004 Å
• b: 26.9115 ± 0.0013 Å
• c: 13.167 ± 0.0007 Å
• α: 90°
• β: 90.408 ± 0.002°
• γ: 90°
• Cell volume: 3275.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1057
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No