(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2009). E65, i35 [ doi:10.1107/S1600536809014469 ]

Dilead(II) hydrogenphosphite dinitrate

R. Ouarsal, M. Lachkar, M. Dusek, K. Fejfarová and B. El Bali

Online 25 April 2009

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (O-N) = 0.009 Å
R factor = 0.012
wR factor = 0.030
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   120.000
            Value of melting point given =     0.000
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.97 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pb2    --  O4      ..       7.48 su   

Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
            correct. If it is not, please give the correct count in the
            _publ_section_exptl_refinement section of the submitted CIF.
           From the CIF: _diffrn_reflns_theta_max           26.50
           From the CIF: _reflns_number_total                932
           Count of symmetry unique reflns          501
           Completeness (_total/calc)            186.03%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured       431
           Fraction of Friedel pairs measured     0.860
           Are heavy atom types Z>Si present        yes

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   0 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
   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