Information card for entry 7036975

Structure parameters

• Formula: C10 H8 Ca O5
• Calculated formula: C10 H8 Ca O5
• Title of publication: Synthesis, structure and enhanced photoluminescence properties of two robust, water stable calcium and magnesium coordination networks.
• Authors of publication: Xu, Feng; Wang, Hao; Teat, Simon J.; Liu, Wei; Xia, Qibin; Li, Zhong; Li, Jing
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20459 - 20463
• a: 11.6947 ± 0.0004 Å
• b: 6.8463 ± 0.0003 Å
• c: 12.2702 ± 0.0004 Å
• α: 90°
• β: 90.406 ± 0.0016°
• γ: 90°
• Cell volume: 982.39 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0309
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No