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Acta Cryst. (2013). E69, m598-m599
[ doi:10.1107/S1600536813027499 ]

Aqua­(azido)[N-(pyridin-2-ylcarbon­yl)pyridine-2-carboxamido-[kappa]3N,N',N'']copper(II)

S. Bruda, M. M. Turnbull and J. L. Wikaira


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0081 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 8.652 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.328 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 16 PLAT975_ALERT_2_C Positive Residual Density at 0.96A from N16 . 0.59 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 1.08A from O9 . 0.44 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.99A from O1 . 0.43 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.07A from O1 . -0.50 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 3 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 67 Do ! CU -N16 -N17 -N18 -171.00 7.00 1.555 1.555 1.555 1.555 PLAT794_ALERT_5_G Tentative Bond Valency for Cu (II) ..... 2.31 Note PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 2 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 67 % PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ?
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 8 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 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 7 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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