[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1667-o1668
[ doi:10.1107/S160053681302727X ]

Bis(L-serinium) oxalate dihydrate: polymorph II

M. Kulik, A. Pazio and K. Wozniak

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C STRVA01_ALERT_4_C Flack parameter is too small From the CIF: _refine_ls_abs_structure_Flack -0.400 From the CIF: _refine_ls_abs_structure_Flack_su 0.900 PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax < 18) ........ 6.99 PLAT480_ALERT_4_C Long H...A H-Bond Reported H2A .. O5 .. 2.66 Ang.
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 6 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 10 Why ? PLAT032_ALERT_4_G Std. Uncertainty on Flack Parameter Value High . 0.900 PLAT791_ALERT_4_G The Model has Chirality at C2 (Verify) S PLAT791_ALERT_4_G The Model has Chirality at C12 (Verify) S PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 5 Note PLAT916_ALERT_2_G Hooft y and Flack x Parameter values differ by . 0.60 Check
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 8 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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