(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2006). E62, i248-i249 [ doi:10.1107/S1600536806045922 ]

Reinvestigation of hydrazinium tetrafluoroborate

M. Kowalewski, P. Mayer, A. Schulz and V. Villinger

Online 10 November 2006

Key indicators

Single-crystal X-ray study
T = 200 K
Mean (F-B) = 0.003 Å
R factor = 0.050
wR factor = 0.121
Data-to-parameter ratio = 11.3

checkCIF/PLATON results

No syntax errors found




Alert level B
CHEMS01_ALERT_1_B  The sum formula contains elements in the wrong order.
            H  precedes B
            Sequence must be C, H, then alphabetical.
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for          B     

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  F1      ..       2.56 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H4     ..  F4      ..       2.63 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              H5 N2                                                            

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