[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m585
[ doi:10.1107/S1600536813026974 ]

Bis[(5-bromo­pyridin-2-yl)methano­lato-[kappa]2N,O]copper(II) monohydrate

T. Hamaguchi, I. Kawahara and I. Ando


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT431_ALERT_2_B Short Inter HL..A Contact Br1 .. O2 .. 3.04 Ang. PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW > 10 Outliers .... 2 Check
Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 Why ? PLAT975_ALERT_2_C Positive Residual Density at 1.06A from O3 . 0.48 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 ! PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00300 Deg. PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 3 Do ! N2 -CU1 -N1 -C2 -102.20 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 6 Do ! N2 -CU1 -N1 -C6 76.80 1.10 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 9 Do ! N1 -CU1 -N2 -C8 -86.30 1.00 1.555 1.555 1.555 1.555 PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 12 Do ! N1 -CU1 -N2 -C12 103.10 1.00 1.555 1.555 1.555 1.555 PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 2 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 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 5 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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