(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m69-m70 [ doi:10.1107/S1600536803028162 ]

{2,6-Bis[(diphenylphosphino)methyl]phenyl}chloroplatinum(II)

S. Fischer and O. F. Wendt

Online 12 December 2003

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.005 Å
R factor = 0.027
wR factor = 0.041
Data-to-parameter ratio = 26.2

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low .......       0.91       

Alert level C
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           31.81
           From the CIF: _diffrn_reflns_theta_full           0.00
           From the CIF: _reflns_number_total               8500
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         9384
           Completeness (_total/calc)             90.58%
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.71 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C44    -   C45      =       6.18 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Pt1    -   C1       =       5.19 su    
PLAT241_ALERT_2_C Check High   U(eq) as Compared to Neighbors ....        C33     
PLAT242_ALERT_2_C Check Low    U(eq) as Compared to Neighbors ....        C31     
PLAT331_ALERT_2_C Small Av. Phenyl C-C Dist. C41    -   C46      =       1.37 Ang.  

   1 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   6 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
   1 ALERT type 4 Improvement, methodology, query or suggestion