(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2007). E63, i14-i15 [ doi:10.1107/S1600536806053761 ]

Poly[diammonium diaquahexahydroxyoctadecaoxodisodiohexamolybdonickelate(II)]

B. Liu, L. Feng, S. Zhou, C.-B. Li and W. Zhou

Online 20 December 2006

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (a-O) = 0.015 Å
R factor = 0.056
wR factor = 0.098
Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT416_ALERT_2_B Short Intra D-H..H-D       H2     ..  H2      ..       1.10 Ang. 
PLAT420_ALERT_2_B D-H Without Acceptor       O1     -   H1     ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       O3     -   H3     ...          ?      
PLAT420_ALERT_2_B D-H Without Acceptor       OW3    -   HW3B   ...          ?      

Alert level C
PLAT213_ALERT_2_C Atom O6      has ADP max/min Ratio .............       3.80 oblat
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.52 Ratio
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of .      84.00 A   3 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         13      

   0 ALERT level A = In general: serious problem
   4 ALERT level B = Potentially serious problem
   4 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
   7 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check