(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, o2495-o2496 [ doi:10.1107/S1600536806018861 ]

N,N'-Bis[(diphenylphosphinoyl)methyl]-1,4-phenylenediamine

Q.-L. Ni, Y.-F. Liao, X.-J. Wang, X.-S. Bi and X.-G. Meng

Online 26 May 2006

Key indicators

Single-crystal X-ray study
T = 292 K
Mean (C-C) = 0.007 Å
R factor = 0.078
wR factor = 0.251
Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found




Alert level C
RFACR01_ALERT_3_C  The value of the weighted R factor is > 0.25
            Weighted R factor given   0.251
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.96       
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.28 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.09 Ratio 
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C8     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C9     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C7     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C7     -C12           1.36 Ang.  
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7       

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 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
   5 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
   0 ALERT type 4 Improvement, methodology, query or suggestion