Acta Cryst. (2004). E60, m171-m173  [ doi:10.1107/S160053680400011X ]

Bis(3,5-dimethylpiperazinium) di-₅-hydrogenphosphato-penta-₂-oxo-pentakis[dioxomolybdenum(V)] dihydrate

X.-M. Zhang, R.-Q. Fang, H.-S. Wu and S. W. Ng

Online 17 January 2004

Key indicators

• Single-crystal X-ray study
• T = 298 K
• R factor = 0.034
• wR factor = 0.095
• Data-to-parameter ratio = 15.5

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT391_ALERT_3_A Deviating Methyl C3      H-C-H Bond Angle ......     125.10 Deg.  

PLAT391_ALERT_3_A Deviating Methyl C3      H-C-H Bond Angle ......      88.24 Deg.  

Alert level B
PLAT420_ALERT_2_B D-H Without Acceptor       O1W    -   H1W2   ...          ?       

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.438     0.662
            Tmin' and Tmax expected:      0.509     0.662
            RR' =      0.862
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.84       
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      26.00 Perc. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  O6     ..  C1'      =       2.99 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         10       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          4       
              H2 O                                                              

   2 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

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

Copyright © International Union of Crystallography
IUCr Webmaster