(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o4877-o4879 [ doi:10.1107/S1600536806040384 ]

2-Methylimidazolium tetrahydroxohexaoxopentaborate

H.-X. Yang, W.-J. Zhang, X.-L. Liu and Z.-H. Liu

Online 7 October 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.049
wR factor = 0.138
Data-to-parameter ratio = 13.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O8     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         B4     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         C2     
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for         C3     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         C1     
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       3.27      
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          5      

Alert level G
FORMU01_ALERT_1_G  There is a discrepancy between the atom counts in the
            _chemical_formula_sum and _chemical_formula_moiety. This is
            usually due to the moiety formula being in the wrong format.
            Atom count from _chemical_formula_sum:   C4 H11 B5 N2 O10
            Atom count from _chemical_formula_moiety:
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

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