Information card for entry 7208705

Structure parameters

• Formula: C14 H10 Ca O6
• Calculated formula: C14 H10 Ca O6
• Title of publication: Synthesis, structures, and properties of alkali and alkaline earth coordination polymers based on V-shaped ligand
• Authors of publication: Cheng, P.-C.; Tseng, F.-S.; Yeh, C.-T.; Chang, T.-G.; Kao, C.-C.; Lin, C.-H.; Liu, W.-R.; Chen, J.-S.; Zima, V.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 6812
• a: 5.633 ± 0.0001 Å
• b: 28.9079 ± 0.0005 Å
• c: 7.8516 ± 0.0001 Å
• α: 90°
• β: 95.517 ± 0.001°
• γ: 90°
• Cell volume: 1272.62 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No