(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2003). E59, o1318-o1320 [ doi:10.1107/S160053680301794X ]

A 1:1 cocrystal of 2,7-dicyano-9-dicyanomethylene-4,5-dinitrofluorene and benzonitrile

A. S. Batsanov and D. F. Perepichka

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R factor = 0.047
wR factor = 0.105
Data-to-parameter ratio = 13.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.99       

Alert level C
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C2     -   C17      =       1.45 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C7     -   C18      =       1.45 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C15      =       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C14    -   C16      =       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C19    -   C20      =       1.45 Ang.  

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   6 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
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion