[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1359-m1360
[ doi:10.1107/S1600536812041700 ]

([mu]1-Methanolato-[kappa]1O)-[mu]1-methoxo-[kappa]1O-([mu]2-2-amino-1-methyl-5H-imidazol-4-one-[kappa]2N:N')-hexacarbonyldirhenium(I)

M. Schutte, H. G. Visser and A. Roodt


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.8 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0090 Ang PLAT480_ALERT_4_C Long H...A H-Bond Reported H2C .. O23 .. 2.61 Ang. PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.538 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 4 PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.30 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 1.58 eA-3 PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density -2.29 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 32.01 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Re1 -- C12 .. 6.0 su PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 4
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 11 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 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 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

Copyright © International Union of Crystallography
IUCr Webmaster