(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1523-m1524 [ doi:10.1107/S160053680502163X ]

A synchrotron study of mercury(I) acetate

T. J. Prior

Online 9 July 2005

Key indicators

Single-crystal synchrotron study
T = 150 K
Mean (C-C) = 0.017 Å
R factor = 0.043
wR factor = 0.109
Data-to-parameter ratio = 12.2

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
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2

Author Response: Inspection of the ORTEP plot suggests there is no serious problem with the atomic displacement parameter for O2.

PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         17

Author Response: Diffraction is dominated by scattering from mercury (80 electrons). The precision with which light atoms are located will be moderate.


   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

   0 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
   2 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion