checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2010src0043
Bond precision: C-C = 0.0134 A Wavelength=0.71073
Cell: a=10.0905(2) b=12.7583(4) c=14.4492(5)
alpha=100.026(2) beta=98.124(2) gamma=108.201(2)
Temperature: 120 K
Calculated Reported
Volume 1701.60(9) 1701.60(9)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula C40 H34 Cl2 P2 Pt ?
Sum formula C40 H34 Cl2 P2 Pt C40 H34 Cl2 P2 Pt
Mr 842.59 842.60
Dx,g cm-3 1.645 1.645
Z 2 2
Mu (mm-1) 4.403 4.403
F000 832.0 832.0
F000' 829.90
h,k,lmax 13,16,18 13,16,18
Nref 7791 7716
Tmin,Tmax 0.768,0.916 0.720,0.917
Tmin' 0.703
Correction method= MULTI-SCAN
Data completeness= 0.990 Theta(max)= 27.480
R(reflections)= 0.0585( 6475) wR2(reflections)= 0.1378( 7716)
S = 1.118 Npar= 406

The following ALERTS were generated. Each ALERT has the format
Click on the hyperlinks for more details of the test.

Alert level C PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 13
Alert level G PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 18.56 PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 200 Deg.
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 1 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

Publication of your CIF in IUCr journals

A basic structural check has been run on your CIF. These basic checks will be run on all CIFs submitted for publication in IUCr journals (Acta Crystallographica, Journal of Applied Crystallography, Journal of Synchrotron Radiation); however, if you intend to submit to Acta Crystallographica Section C or E, you should make sure that full publication checks are run on the final version of your CIF prior to submission.

Publication of your CIF in other journals

Please refer to the Notes for Authors of the relevant journal for any special instructions relating to CIF submission.

PLATON version of 13/08/2009; check.def file version of 12/08/2009
Datablock 2010src0043 - ellipsoid plot

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