(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o1790-o1792 [ doi:10.1107/S1600536804022482 ]

Creatininium dipicolinate monohydrate

A. Moghimi, M. A. Sharif and H. Aghabozorg

Online 18 September 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.048
wR factor = 0.162
Data-to-parameter ratio = 22.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1W    ..  H2W     ..       1.63 Ang.  

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT128_ALERT_4_C Non-standard setting of Space group Pnma    ....    Pnam          
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.65       
PLAT301_ALERT_3_C Main Residue  Disorder .........................       2.00 Perc. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H2W    ..  H2N4    ..       2.11 Ang.  
PLAT417_ALERT_2_C Short Inter D-H..H-D       H2W    ..  H2N4    ..       2.11 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          4       

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   7 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
   4 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