(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m272-m274 [ doi:10.1107/S1600536806000316 ]

A new silver-silver-bonded dimer complex: solid-state structure of bis[-2H-1,3-benzoxazine-2,4(3H)-dionato]disilver(I)

D. R. Whitcomb and M. Rajeswaran

Online 11 January 2006

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.010 Å
R factor = 0.039
wR factor = 0.102
Data-to-parameter ratio = 8.7

checkCIF/PLATON results

No syntax errors found





Alert level A
PLAT027_ALERT_3_A _diffrn_reflns_theta_full (too) Low ............      23.28 Deg.  

Alert level B
THETM01_ALERT_3_B  The value of sine(theta_max)/wavelength is less than 0.575
            Calculated sin(theta_max)/wavelength =    0.5561
PLAT023_ALERT_3_B Resolution (too) Low [sin(th)/Lambda < 0.6].....      23.28 Deg.  

Alert level C
REFNR01_ALERT_3_C  Ratio of reflections to parameters is < 10 for a
            centrosymmetric structure
            sine(theta)/lambda                0.5561
            Proportion of unique data used    1.0000
            Ratio reflections to parameters   8.6610
PLAT088_ALERT_3_C Poor Data / Parameter Ratio ....................       8.66       
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.12 Ratio 

   1 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

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