(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, o492-o493 [ doi:10.1107/S160053680400443X ]

10,10-Bis(trimethylsilylethynyl)-9-methylenefluorene-tetracyano-para-quinodimethane (2/1)

P. G. Jones, H. Berger, P. Bubenitschek and H. Hopf

Online 6 March 2004

Key indicators

Single-crystal X-ray study
T = 143 K
Mean (C-C) = 0.003 Å
R factor = 0.044
wR factor = 0.111
Data-to-parameter ratio = 15.4

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT220_ALERT_2_B Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.68 Ratio 

Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
            identifier.
            black,
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
            identifier.
            lustrous
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio 
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.05 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    Si2    -   C12     ..       5.72 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C10    -   C11'    ..       5.33 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C4'    -   C6'     ..       5.05 su    
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Si1     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        Si2     
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C10    -   C11    ...       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C10    -   C11'   ...       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4'    -   C5'    ...       1.44 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4'    -   C6'    ...       1.43 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H7     ..  N1      ..       2.71 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H14C   ..  N1      ..       2.64 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H15B   ..  N1      ..       2.66 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H13C   ..  N2      ..       2.73 Ang.  

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

   5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
  10 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
   5 ALERT type 4 Improvement, methodology, query or suggestion