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Acta Cryst. (2014). E70, m164-m165
[ doi:10.1107/S1600536814006898 ]

([mu]2-2-Meth­oxy­ethanol-[kappa]3O1:O1,O3)(2-meth­oxy­ethanol-[kappa]O1)tris­([mu]2-3,4,5,6-tetra­fluoro-o-phenyl­ene-[kappa]2C1:C2)trimercury(II)

R. Castañeda, S. Draguta, A. Yakovenko, M. Fonari and T. Timofeeva


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT701_ALERT_1_A Bond Calc 2.884(9), Rep 2.844(9), Dev.. 4.44 Sigma HG1 -O2 1.555 1.555 # 4
Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 24 Why ? PLAT971_ALERT_2_B Check Calcd Residual Density 0.82A From Hg3 2.98 eA-3 PLAT971_ALERT_2_B Check Calcd Residual Density 0.83A From Hg2 2.84 eA-3 PLAT971_ALERT_2_B Check Calcd Residual Density 0.85A From Hg1 2.83 eA-3 PLAT971_ALERT_2_B Check Calcd Residual Density 0.91A From Hg3 2.67 eA-3
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.972 Note PLAT125_ALERT_4_C No '_symmetry_space_group_name_Hall' Given ..... Please Do ! PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0182 Ang. PLAT761_ALERT_1_C CIF Contains no X-H Bonds ...................... Please Check PLAT762_ALERT_1_C CIF Contains no X-Y-H or H-Y-H Angles .......... Please Check PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 8 Why ? PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... 0.0017 Check PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.015 Check PLAT927_ALERT_1_C Reported and Calculated wR2 Differ by ......... 0.0017 Check PLAT971_ALERT_2_C Check Calcd Residual Density 0.72A From Hg2 2.49 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.88A From Hg2 2.46 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.88A From Hg1 2.45 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.90A From Hg2 2.42 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.91A From Hg3 2.38 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.94A From Hg1 2.36 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.71A From Hg1 2.25 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.88A From Hg3 1.85 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 0.94A From Hg1 1.81 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 1.15A From Hg3 1.75 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 1.09A From Hg3 1.69 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 1.19A From Hg1 1.59 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 1.39A From Hg1 1.58 eA-3 PLAT971_ALERT_2_C Check Calcd Residual Density 1.21A From Hg1 1.57 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.76A From Hg2 -2.18 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.72A From Hg2 -2.14 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.72A From Hg3 -2.13 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.81A From Hg1 -2.04 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.78A From Hg1 -2.02 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.90A From Hg3 -2.01 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.90A From Hg3 -2.00 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.79A From Hg2 -1.88 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.60A From Hg1 -1.69 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.85A From Hg1 -1.68 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.57A From Hg2 -1.64 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 1.19A From Hg3 -1.60 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 1.12A From C17 -1.60 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 1.41A From Hg3 -1.60 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.88A From Hg3 -1.60 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 1.70A From O2 -1.58 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 1.13A From C2 -1.56 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 0.94A From Hg1 -1.54 eA-3 PLAT972_ALERT_2_C Check Calcd Residual Density 1.06A From Hg1 -1.53 eA-3 PLAT973_ALERT_2_C Check Calcd Positive Residual Density on Hg2 1.50 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 2 Why ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.00500 Degree PLAT434_ALERT_2_G Short Inter HL..HL Contact F4 .. F4 . 2.84 Ang. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 213 Note
1 ALERT level A = Most likely a serious problem - resolve or explain 5 ALERT level B = A potentially serious problem, consider carefully 43 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 39 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 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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