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Acta Cryst. (2013). E69, m165-m166
[ doi:10.1107/S1600536813004534 ]

Bis{2-[(guanidinoimino)methyl]phenolato-[kappa]3N,N',O}cobalt(III) chloride hemihydrate

E. A. Buvaylo, V. N. Kokozay, O. Y. Vassilyeva and B. W. Skelton


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT420_ALERT_2_C D-H Without Acceptor N126 - H12A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N426 - H42A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N225 - H225 ... ? PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.021 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 9 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Co2 1.03 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.04A from N323 . -0.82 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.78A from N123 . -0.76 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.97A from N223 . -0.55 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.99A from N425 . -0.52 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.06A from N326 . -0.44 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.00A from N126 . -0.44 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.99A from N126 . -0.43 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 ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 16 PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT045_ALERT_1_G Calculated and Reported Z Differ by ............ 0.50 Ratio PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00200 Deg. PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Co1 -- N122 .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Co1 -- N222 .. 5.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Co1 -- N225 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Co2 -- N325 .. 6.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Co2 -- N422 .. 6.3 su PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 3 Cl PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 5 H2 O PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 74 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 16 ALERT level G = General information/check it is not something unexpected 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 17 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 3 ALERT type 5 Informative message, check

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