Acta Cryst. (2004). E60, m17-m19  [ doi:10.1107/S160053680302720X ]

[Bis(3-diphenylphosphinopropyl)phenylphosphine-³P,P',P'']chloroplatinum(II) perchlorate

S. T. Klint, O. Simonsen, L. V. Andreasen, A. D. Bond and O. Wernberg

Online 6 December 2003

Key indicators

• Single-crystal X-ray study
• T = 145 K
• Mean (C-C) = 0.020 Å
• R factor = 0.092
• wR factor = 0.221
• Data-to-parameter ratio = 16.0

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT201_ALERT_2_A Isotropic non-H Atoms in Main Residue(s) ..... =         36       

Alert level B
DIFMX01_ALERT_2_B  The maximum difference density is > 0.1*ZMAX*1.00
            _refine_diff_density_max given =     11.856
            Test value =      7.800
PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT097_ALERT_2_B Maximum (Positive) Residual Density ............      11.86 e/A   3

Alert level C
DIFMX02_ALERT_1_C  The minimum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.38       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.09 Ratio 
PLAT244_ALERT_4_C Low Solvent  U(eq) as Compared to Neighbors ....        Cl2     
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         20       

Alert level G
REFLT03_ALERT_4_G  WARNING: Large fraction of Friedel related reflns may
                     be needed to determine absolute structure
           From the CIF: _diffrn_reflns_theta_max           73.86
           From the CIF: _reflns_number_total               3784
           Count of symmetry unique reflns         3854
           Completeness (_total/calc)             98.18%
           TEST3: Check Friedels for noncentro structure
           Estimate of Friedel pairs measured         0
           Fraction of Friedel pairs measured     0.000
           Are heavy atom types Z>Si present          yes

   1 ALERT level A = In general: serious problem
   3 ALERT level B = Potentially serious problem
   5 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
   5 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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