(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2005). E61, m1545-m1547 [ doi:10.1107/S1600536805021756 ]

trans-(Isothiocyanato-N)phenylbis(triphenylphosphine-P)platinum(II)

S. Otto and A. Roodt

Online 13 July 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.008 Å
R factor = 0.039
wR factor = 0.079
Data-to-parameter ratio = 25.8

checkCIF/PLATON results

No syntax errors found



Datablock: I


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

Author Response: ...Completeness of 99.9% was achieved up to 29.0\%.


Alert level B
PLAT242_ALERT_2_B Check Low       Ueq as Compared to Neighbors for         C5     

Alert level C
CELLV02_ALERT_1_C  The supplied cell volume s.u. differs from that
            calculated from the cell parameter s.u.'s by > 2
            Calculated cell volume su =      15.22
            Cell volume su given      =      13.00
REFLT03_ALERT_3_C  Reflection count < 95% complete
           From the CIF: _diffrn_reflns_theta_max           31.83
           From the CIF: _diffrn_reflns_theta_full          31.83
           From the CIF: _reflns_number_total               5693
           TEST2: Reflns within _diffrn_reflns_theta_max
           Count of symmetry unique reflns         6274
           Completeness (_total/calc)             90.74%
PLAT125_ALERT_4_C No _symmetry_space_group_name_Hall Given .......          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     
PLAT331_ALERT_2_C Small Average Phenyl C-C Dist.   C11    -C16           1.37 Ang.  

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

   4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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