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[Contents scheme]

Acta Cryst. (2013). E69, m618
[ doi:10.1107/S1600536813028377 ]

Hexa­kis­(dimethyl sulfoxide-[kappa]O)zinc(II) poly­iodide

L. Garzón-Tovar, Á. Duarte-Ruiz and P. E. Fanwick

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT434_ALERT_2_B Short Inter HL..HL Contact I1 .. I2 . 3.33 Ang.
Author Response: We just did a CSD search on I-I distances. The values are from 24 structures average 3.460 with a standard deviation of 0.230. Therefore the value of 3.30 A is within 3Sigma of this average. The problem is the ionic radius of I is not well defined and there is considerable variation. The minimum good distance is 3.197 and the max is 3.775. There is nothing wrong with this value

Alert level C CRYSC01_ALERT_1_C The word below has not been recognised as a standard identifier. 1orange CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.970 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.837 Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 32 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3 PLAT975_ALERT_2_C Positive Residual Density at 0.92A from O1 . 0.65 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 55.16 PLAT104_ALERT_1_G The Reported Crystal System is Inconsistent with R-3 Check PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 2 Units PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 7 Do ! O1 -ZN1 -O1 -S1 112.00 10.00 16.655 1.555 1.555 1.555 PLAT794_ALERT_5_G Tentative Bond Valency for Zn1 (II) ..... 2.00 Note PLAT910_ALERT_3_G Missing # of FCF Reflections Below Th(Min) ..... 1 Why ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 13 PLAT951_ALERT_5_G Reported and Calculated Kmax Values Differ by .. 2
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 5 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 5 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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