Information card for entry 7239851

Structure parameters

• Formula: C12 H12 Co N10 Na O
• Calculated formula: C12 H12 Co N10 Na O
• Title of publication: Role of the B′-site metal ion in the framework structures and dielectric transitions in host‒guest type cyanometalates (HIm)2[B′Co(CN)6] (HIm = imidazolium cation)
• Authors of publication: Shi, Chao; Gong, Zhi-Xin; Wang, Qin-Wen; Han, Xiang-Bin; Zhang, Wen
• Journal of publication: CrystEngComm
• Year of publication: 2020
• Journal volume: 22
• Journal issue: 10
• Pages of publication: 1848 - 1852
• a: 18.42 ± 0.004 Å
• b: 10.567 ± 0.002 Å
• c: 8.8377 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1720.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No