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Acta Cryst. (2012). E68, i2  [ doi:10.1107/S1600536811051919 ]

Cs3Sm7Se12

C. Schneck, A. Elbe, C. M. Schurz and T. Schleid

Online 7 December 2011


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: CS1 -- SE1 .. 4.54 Ang. PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: CS1 -- CS1 .. 4.24 Ang. PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: CS1 -- CS1 .. 4.24 Ang. PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: CS2 -- SM2 .. 4.16 Ang.
Alert level C PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.967 PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE4 .. 3.61 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE4 .. 3.61 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE6 .. 3.71 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE6 .. 3.71 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE3 .. 3.76 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE5 .. 3.81 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- SE5 .. 3.81 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- SE2 .. 3.53 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- SE2 .. 3.53 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- SE2 .. 3.69 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- SE2 .. 3.69 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- SE5 .. 3.72 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- SE6 .. 3.92 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 30 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 39 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.36 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.27 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.27 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.12 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.93 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.80 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.79 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.79 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.79 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.76 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.73 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.68 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.64 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.60 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.11 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.69 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.66 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.64 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.59 eA-3
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 33 Perc. PLAT794_ALERT_5_G Note: Tentative Bond Valency for Sm1 (III) 3.02 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Sm2 (III) 3.00 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Sm3 (III) 3.00 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Sm4 (III) 2.98 PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... !
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 37 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 19 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 19 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 7 ALERT type 5 Informative message, check

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