(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m857 [ doi:10.1107/S1600536808015754 ]

[2-(1,3-Dithiolan-2-ylidene)-5-(4-methylphenyl)-3-oxopent-4-enoato-O]triphenyltin(IV)

Z.-M. Mei and W. Fang

Online 7 June 2008

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.005 Å
R factor = 0.030
wR factor = 0.066
Data-to-parameter ratio = 15.3

checkCIF/PLATON results

No syntax errors found




Alert level C
CELLV02_ALERT_1_C  The supplied cell volume s.u. differs from that
            calculated from the cell parameter s.u.'s by > 2
            Calculated cell volume su =      13.39
            Cell volume su given      =      11.00
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C5     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C26     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C24     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C27     
PLAT245_ALERT_2_C U(iso) H5      Smaller than U(eq) C5      by ...       0.01 AngSq
PLAT245_ALERT_2_C U(iso) H26     Smaller than U(eq) C26     by ...       0.02 AngSq
PLAT245_ALERT_2_C U(iso) H28A    Smaller than U(eq) C28     by ...       0.02 AngSq
PLAT245_ALERT_2_C U(iso) H28B    Smaller than U(eq) C28     by ...       0.02 AngSq
PLAT245_ALERT_2_C U(iso) H28C    Smaller than U(eq) C28     by ...       0.02 AngSq
PLAT245_ALERT_2_C U(iso) H34A    Smaller than U(eq) C34     by ...       0.02 AngSq
PLAT245_ALERT_2_C U(iso) H34B    Smaller than U(eq) C34     by ...       0.02 AngSq
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.98      
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum ....          ?
PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety        C28     

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

   3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  11 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check