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[Contents scheme]

Acta Cryst. (2012). E68, m1173
[ doi:10.1107/S1600536812034538 ]

catena-Poly[[[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-[kappa]4N)nickel(II)]-[mu]-oxido-[dioxidotungstate(VI)]-[mu]-oxido] tetrahydrate]

G.-C. Ou, X.-Y. Yuan and Z.-Z. Li


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 2 PLAT973_ALERT_2_B Large Calcd. Positive Residual Density on W1 1.88 eA-3
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.961 PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.1 Ratio PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0114 Ang PLAT417_ALERT_2_C Short Inter D-H..H-D H2WA .. H1WB .. 2.14 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N3 - H3A ... ? PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 95 PLAT975_ALERT_2_C Positive Residual Density at 0.87A from O3W . 0.65 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.76A from O4 . 0.65 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.64A from O1 . 0.65 eA-3
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 12 PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 8 PLAT793_ALERT_4_G The Model has Chirality at N1 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at N2 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at N3 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at N4 (Verify) .... S PLAT793_ALERT_4_G The Model has Chirality at C3 (Verify) .... R PLAT793_ALERT_4_G The Model has Chirality at C11 (Verify) .... R PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 13 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 124
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 13 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 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 8 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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