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Acta Cryst. (2013). E69, m354-m355  [ doi:10.1107/S160053681301489X ]

Aqua(5,10,15,20-tetraphenylporphyrinato-[kappa]4N)cadmium(II)-18-crown-6 (1/1)

H. Toumi, Y. Belghith, J.-C. Daran and H. Nasri


Key indicators

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Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cd -- O1 .. 13.0 su PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 18
Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 5 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT975_ALERT_2_C Positive Residual Density at 1.01A from O1 . 0.59 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.54A from O1 . -0.50 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.47A from O1 . -0.44 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Note: Alternate Setting of Space-group P21/c . P21/n PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2 C12 H24 O6 PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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