Information card for entry 7044777

Structure parameters

• Formula: C7 H6 Ca Co N9
• Calculated formula: C7 Ca Co N8.9999
• Title of publication: Dielectric transitions and relaxations in Ca(ii)Co(iii)-based cyanometallate frameworks with a rare (6,6)-connected nia topology.
• Authors of publication: Liu, Yu-Ling; Zhang, Wen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 47
• Journal issue: 1
• Pages of publication: 45 - 48
• a: 7.575 ± 0.007 Å
• b: 7.575 ± 0.007 Å
• c: 13.31 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 661.4 ± 1.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.2052
• Weighted residual factors for all reflections included in the refinement: 0.2072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No