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[Contents scheme]

Acta Cryst. (2013). E69, m181
[ doi:10.1107/S1600536813005564 ]

Bis[1,2-bis(ethoxycarbonyl)ethene-1,2-dithiolato-[kappa]2S,S']bis([eta]5-pentamethylcyclopentadienyl)tetra-[mu]3-sulfido-diiron(IV)diiron(III)(3 Fe-Fe)

S. Ito, N. Hisamichi, T. Takase and S. Inomata


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Fe2 -- S2 .. 12.0 su PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.94 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- S1 .. 9.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe1 -- S2 .. 6.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe2 -- S1 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe2 -- S3 .. 7.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe2 -- S4 .. 6.0 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Fe2 -- S2_a .. 5.5 su PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C7 PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C8 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 17
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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