Acta Cryst. (2007). E63, m2272  [ doi:10.1107/S1600536807036902 ]

-Carbonyl-1:2²C-carbonyl-1C-(1⁵-cyclopentadienyl)(-phenylvinylidene)bis(triphenylphosphine-2P)rheniumplatinum(Re-Pt) diethyl ether hemisolvate

A. D. Vasiliev, O. S. Chudin and A. B. Antonova

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.008 Å
• Disorder in solvent or counterion
• R factor = 0.031
• wR factor = 0.073
• Data-to-parameter ratio = 23.0

checkCIF/PLATON results

No syntax errors found




Alert level C
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 ............       0.50 Ratio
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.83      
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.10      
PLAT180_ALERT_3_C Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.93 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         Re     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         O5     
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      50.00 Perc.
PLAT320_ALERT_2_C Check Hybridisation of  C1     in Main Residue .          ?     
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C1     -   C2     ...       1.35 Ang. 
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.18 Ratio

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.832
            Tmax scaled      0.348 Tmin scaled      0.231
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      

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

   3 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
   3 ALERT type 3 Indicator that the structure quality may be low
   4 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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