(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m455-m457 [ doi:10.1107/S1600536804006270 ]

trans-Carbonylchlorobis[tris(2,6-dimethylphenyl)phosphito]rhodium(I)

R. Meijboom, A. Muller and A. Roodt

Online 27 March 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.044
wR factor = 0.093
Data-to-parameter ratio = 19.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.64 Ratio 
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....         O2     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C22     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       5.00 Perc. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       2.30 Deg.  
              C1   -CL1  -RH1     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       5.60 Deg.  
              CL1  -C1   -O1      1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       6.50 Deg.  
              CL1  -O1   -C1      1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       4.90 Deg.  
              C2   -CL2  -RH2     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       6.10 Deg.  
              CL2  -C2   -O2      1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       6.90 Deg.  
              CL2  -O2   -C2      1.555   1.555   1.555                         
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2       
              C49 H54 Cl O7 P2 Rh                                               

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  12 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
   9 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion