Acta Cryst. (2004). E60, m434-m435  [ doi:10.1107/S1600536804005914 ]

Tricarbonyl(⁶-1,3-dimethoxybenzene)chromium

M. Zeller, A. D. Hunter and N. J. Takas

Online 24 March 2004

Key indicators

• Single-crystal X-ray study
• T = 273 K
• Mean (C-C) = 0.003 Å
• R factor = 0.031
• wR factor = 0.089
• Data-to-parameter ratio = 12.0

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT063_ALERT_3_B Crystal Probably too Large for Beam Size .......       0.82 mm    

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...         12       
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2     -   C6      ..       5.42 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3     -   C7      ..       6.92 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O2'    -   C6'     ..       6.43 su    
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O3'    -   C7'     ..       5.08 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cr1    -   C6      ..       8.44 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cr1    -   C7      ..       8.87 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cr2    -   C6'     ..       9.35 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Cr2    -   C7'     ..       6.97 su    

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
  12 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
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion

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