[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1158-m1159
[ doi:10.1107/S1600536812034307 ]

trans-Acetyldicarbonyl([eta]5-cyclopentadienyl)(methyldiphenylphosphane)molybdenum(II)

M. T. Whited, J. W. Boerma, M. J. McClellan, C. E. Padilla and D. E. Janzen


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Mo1 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.767 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 4
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo1 -- C8 .. 8.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Mo1 -- C9 .. 8.1 su PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 10
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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