Acta Cryst. (2004). E60, m1397-m1399  [ doi:10.1107/S160053680402166X ]

Di--acetato-⁴O:O'-tetracarbonylbis(pyridyl-2-yl-N-amine)diruthenium(I)(Ru-Ru)

R. Dorta, G. Süss-Fink and H. Stoeckli-Evans

Online 11 September 2004

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.005 Å
• R factor = 0.025
• wR factor = 0.058
• Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level B
ABSTM02_ALERT_3_B  The ratio of expected to reported Tmax/Tmin(RR') is < 0.75
            Tmin and Tmax reported:      0.363     0.764
            Tmin' and Tmax expected:      0.607     0.763
            RR' =      0.597
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_B Tmax/Tmin Range Test RR' too Large .............       0.58       

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ru1    -   C7      ..       5.98 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ru1    -   C8      ..       6.05 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ru2    -   C5      ..       7.85 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ru2    -   C6      ..       5.47 su    
PLAT420_ALERT_2_C D-H Without Acceptor       N2     -   H21    ...          ?       
PLAT731_ALERT_1_C Bond    Calc     0.88(4), Rep   0.880(19) ......       2.11 su-Rat
              N2   -H21     1.555   1.555                                       
PLAT731_ALERT_1_C Bond    Calc     0.88(4), Rep   0.882(19) ......       2.11 su-Rat
              N4   -H42     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.88(4), Rep   0.880(19) ......       2.11 su-Rat
              N2   -H21     1.555   1.555                                       
PLAT735_ALERT_1_C D-H     Calc     0.88(4), Rep   0.882(19) ......       2.11 su-Rat
              N4   -H42     1.555   1.555                                       

   0 ALERT level A = In general: serious problem
   2 ALERT level B = Potentially serious problem
   9 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 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
   0 ALERT type 4 Improvement, methodology, query or suggestion

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