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Acta Cryst. (2013). E69, m275-m276
[ doi:10.1107/S1600536813009938 ]

Tris([mu]4-azepane-1-carbodithioato)bis([mu]3-azepane-1-carbodithioato)-[mu]9-bromido-tetra-[mu]2-bromido-octacopper(I)copper(II)

T. Okubo, H. Anma, M. Maekawa and T. Kuroda-Sowa


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT910_ALERT_3_B Missing # of FCF Reflections Below Th(Min) ..... 17
Alert level C PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0065 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.225 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 27 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.48 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.43 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 2.25 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.23 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.07 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.05 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.02 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.01 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.85 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.72 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.55 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.60 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -1.51 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.90 mm PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu2 .. 31.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu3 .. 19.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu4 .. 41.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu5 .. 26.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu6 .. 34.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu7 .. 37.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu8 .. 42.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br1 -- Cu9 .. 31.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br3 -- Cu3 .. 5.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Br4 -- Cu5 .. 6.0 su PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 27
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 17 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 24 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 1 ALERT type 5 Informative message, check

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