[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m573
[ doi:10.1107/S1600536813026524 ]

Poly[[[mu]-chlorido-[mu]-[2-(2,4-di­fluoro­phen­yl)-1,3-bis­(1,2,4-triazol-1-yl)propan-2-ol-[kappa]2N4:N4']-zinc] chloride dihydrate]

G.-H. Pan, J.-N. Tang, S.-H. Xu, Z.-J. Huang and B.-F. Mo


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.306 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.31 PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C1 -C6 1.37 Ang. PLAT334_ALERT_2_C Small Average Benzene C-C Dist. C15 -C20 1.37 Ang. PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0150 Ang. PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 93 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 5 Check PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 15.63 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Zn1 1.06 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 1.00A from O4 . -0.47 eA-3 PLAT976_ALERT_2_C Negative Residual Density at 0.63A from O3 . -0.41 eA-3
Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 2 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 6 Why ? PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large. 0.15 PLAT793_ALERT_4_G The Model has Chirality at C7 (Verify) S PLAT793_ALERT_4_G The Model has Chirality at C14 (Verify) R PLAT804_ALERT_5_G Number of ARU-Code Packing Problem(s) in PLATON 6 Info
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 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 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check
checkCIF publication errors
Alert level A PUBL022_ALERT_1_A There is a mismatched ~ on line 130 The title compound, {[ZnCl(C~13~H~12~F~2~N~6~O)~2~]Cl.2H~2~O}~<i>n</i>, is a If you require a ~ then it should be escaped with a \, i.e. \~ Otherwise there must be a matching closing ~, e.g. C~2~H~4~
1 ALERT level A = Data missing that is essential or data in wrong format 0 ALERT level G = General alerts. Data that may be required is missing

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