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Acta Cryst. (2013). E69, m593-m594
[ doi:10.1107/S1600536813026408 ]

catena-Poly[[di­aqua­bis­([mu]3-5-carboxyl­ato-1H-pyrazole-3-carb­oxy­lic acid-[kappa]3O3:O3;O5)dilithium(I)] monohydrate]

W. Starosta and J. Leciejewicz


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.976 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.6 Note PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 32 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 Check
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 4 Note PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 1 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 1 Why ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 7 Units PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.03000 Deg. PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 1 Note PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.27 Ratio PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 4 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 39
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 5 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 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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