Acta Cryst. (2004). E60, m100-m101  [ doi:10.1107/S1600536803028757 ]

Tetraaquabis(4-carboxyphenoxyacetato)magnesium(II)

S. Gao, J.-R. Li, L.-H. Huo, J.-W. Liu and C.-S. Gu

Online 19 December 2003

Key indicators

• Single-crystal X-ray study
• T = 293 K
• R factor = 0.054
• wR factor = 0.139
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.94       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           27.48
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               2244
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         2383
           Completeness (_total/calc)             94.17%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low ....       0.94       
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mg1    -   O2W      =       5.06 su    
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor ....       2.13       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4       

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   7 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion

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