(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1346-m1347 [ doi:10.1107/S1600536805018635 ]

Tris(2-methyl-2-phenylpropyl)(pyridine-3-carboxylato)tin(IV)

L.-J. Tian, Y.-X. Sun, M. Yang and G.-M. Yang

Online 17 June 2005

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R factor = 0.030
wR factor = 0.079
Data-to-parameter ratio = 19.8

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT410_ALERT_2_B Short Intra H...H Contact  H7B    ..  H16     ..       1.88 Ang.  

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.70 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N1     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C13     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C24     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C25     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for       C13'     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sn1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C2     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C18     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C21     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc. 
PLAT412_ALERT_2_C Short Intra XH3 .. XHn     H9A    ..  H12'    ..       1.86 Ang.  

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  14 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
   0 ALERT type 4 Improvement, methodology, query or suggestion