(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2006). E62, m2855-m2857 [ doi:10.1107/S1600536806040670 ]

(6-Mercaptopurinato)(tricyclohexylphosphine)gold(I) ethanol solvate

S. Y. Ho and E. R. T. Tiekink

Online 11 October 2006

Key indicators

Single-crystal X-ray study
T = 183 K
Mean (C-C) = 0.007 Å
R factor = 0.037
wR factor = 0.110
Data-to-parameter ratio = 26.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT223_ALERT_4_A Large Solvent/Anion  H     Ueq(max)/Ueq(min) ...       5.33 Ratio

Author Response: Owing to the disorder evident in this group, attempts were made to locate multiple sites. However, these attempts were unsuccessful suggesting that the disorder is dynamic in nature.


Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.76      
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C41     
PLAT360_ALERT_2_C Short  C(sp3)-C(sp3) Bond  C41    -   C42    ...       1.42 Ang. 
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            P1  -AU  -S6  -C6   -120.80  0.70   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          2     
            S6  -AU  -P1  -C11   -35.60  0.80   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            S6  -AU  -P1  -C31    86.50  0.80   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          4     
            S6  -AU  -P1  -C21  -156.10  0.70   1.555   1.555   1.555   1.555  

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.757
            Tmax scaled      0.757 Tmin scaled      0.298

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

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