(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m640-m641 [ doi:10.1107/S1600536806006532 ]

[2,6-Bis(8-quinolyloxymethyl)pyridine]dinitratocadmium(II)

C.-J. Li, J.-M. Dou, D.-C. Li and D.-Q. Wang

Online 28 February 2006

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.010 Å
Disorder in main residue
R factor = 0.050
wR factor = 0.128
Data-to-parameter ratio = 10.9

checkCIF/PLATON results

No syntax errors found






Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O2     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         O6     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        O3'     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cd1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N5     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       7.00 Perc. 
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         10       
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      31.20 Deg.  
              O5   -N4   -O5'     1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      29.90 Deg.  
              O3'  -N4   -O3      1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      43.40 Deg.  
              O8'  -N5   -O8      1.555   1.555   1.555                         

Alert level G

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

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