Information card for entry 7044773

Structure parameters

• Formula: C7 H5 Ca Co N8 O
• Calculated formula: C7 Ca Co N8.0004 O
• 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: 7.5487 ± 0.0011 Å
• b: 7.5487 ± 0.0011 Å
• c: 13.313 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 657 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0831
• Residual factor for significantly intense reflections: 0.0828
• Weighted residual factors for significantly intense reflections: 0.2428
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No