(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3338-m3340 [ doi:10.1107/S160053680604726X ]

(2-Benzoylbenzoato-O)triphenyl(triphenylphosphine oxide-O)tin(IV)

C. A. K. Diop, A. Touré, L. Diop and R. Welter

Online 17 November 2006

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.007 Å
R factor = 0.036
wR factor = 0.074
Data-to-parameter ratio = 11.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.21 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C9     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O3     ..  C33     ..       2.98 Ang. 

Alert level G
CHEMS02_ALERT_1_G  Please check that you have entered the correct
            _publ_requested_category classification of your compound;
            FI or CI or EI for inorganic; FM or CM or EM for metal-organic;
            FO or CO or EO for organic.
            From the CIF: _publ_requested_category   FI
            From the CIF: _chemical_formula_sum:C50 H39 O4 P1 Sn1
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           30.05
           From the CIF: _reflns_number_total               5944
           Count of symmetry unique reflns         5959
           Completeness (_total/calc)             99.75%
           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

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   2 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
   0 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check


checkCIF publication errors

Alert level A
PUBL018_ALERT_1_A The author field is longer than 65 characters.
              Please check that the author/address loop has been
              completed according to the CIF specification.
              Author = Senegal, Facult\'e des Sciences et Techniques Universit\'e Cheikh Anta Diop Dakar
PUBL019_ALERT_1_A The author field is longer than 8 words.
              Please check that the author/address loop has been
              completed according to the CIF specification.
              Author = Senegal, Facult\'e des Sciences et Techniques Universit\'e Cheikh Anta Diop Dakar

   2 ALERT level A = Data missing that is essential or data in wrong format
   0 ALERT level G = General alerts. Data that may be required is missing