(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i41-i42 [ doi:10.1107/S1600536806056509 ]

Iron(II) hydrazinium sulfate

K. Srinivasan, S. Govindarajan and W. T. A. Harrison

Online 12 January 2007

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (N-N) = 0.004 Å
R factor = 0.032
wR factor = 0.076
Data-to-parameter ratio = 11.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.95      

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           27.99
           From the CIF: _diffrn_reflns_theta_full          27.99
           From the CIF: _reflns_number_total               1004
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         1058
           Completeness (_total/calc)             94.90%
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000)         300 Deg. 

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check