(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, m2102-m2103 [ doi:10.1107/S1600536807032771 ]

2,3-Dimethylquinoxalinediium hexabromidostannate(IV) trihydrate

B. F. Ali, R. Al-Far and S. W. Ng

Online 13 July 2007

Key indicators

Single-crystal X-ray study
T = 84 K
Mean (C-C) = 0.013 Å
R factor = 0.062
wR factor = 0.132
Data-to-parameter ratio = 23.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O3W    -   H3W1   ...          ?      

Alert level C
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Sn1    -   Br5     ..       7.78 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Sn1     
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...         13      
PLAT432_ALERT_2_C Short Inter X...Y Contact  Br5    ..  C2      ..       3.34 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6      
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          2      
              Br6 Sn                                                           

Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for Sn1         (4)       3.62      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   6 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
   4 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check