Acta Cryst. (2006). E62, m2940-m2941  [ doi:10.1107/S1600536806041171 ]

Dicarbonyl(⁵-cyclopentadienyl)(1-phenyl-3,4-dimethylphosphole)iron(II) tetrafluoroborate

G. J. Reiss and C. Ganter

Online 18 October 2006

Key indicators

• Single-crystal X-ray study
• T = 290 K
• Mean (C-C) = 0.006 Å
• R factor = 0.062
• wR factor = 0.126
• Data-to-parameter ratio = 22.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          2      
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.48 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C17     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C18     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Fe     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         B1     

Alert level G
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   3 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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