(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1646-m1648 [ doi:10.1107/S1600536805022944 ]

(Hydridotripyrazolylborato)iodo{(1,2,5,6-)-1-[(Z)-1-iodo-2-phenylethenyl]cycloocta-1,5-diene}ruthenium(II)-diiodine (2/1)

C. Slugovc, K. Kirchner and K. Mereiter

Online 27 July 2005

Key indicators

Single-crystal X-ray study
T = 299 K
Mean (C-C) = 0.006 Å
R factor = 0.030
wR factor = 0.072
Data-to-parameter ratio = 25.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  I1     -   Ru      ..      12.53 su    
PLAT431_ALERT_2_B Short Inter HL..A Contact  I1     ..  I3      ..       3.49 Ang.  

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion


checkCIF publication errors

Alert level A
PUBL023_ALERT_1_A There is a mismatched ^ on line 134
              reaction is carried out in the presence of base it leads to Ru(Tp)((\h^3 +
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C
PUBL023_ALERT_1_A There is a mismatched ^ on line 135
              2^-1,5)--1-((<i>Z</i>)-2-phenyl-ethenylidene)cyclooctenyl), a complex with an
              If you require a ^ then it should be escaped
              with a \, i.e. \^
              Otherwise there must be a matching closing ~, e.g. ^12^C

   2 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing