HTTP/1.1 200 OK Date: Mon, 26 Sep 2005 14:50:50 GMT Server: Apache/1.3.33 (Unix) mod_perl/1.29 Connection: close Content-Type: text/html; charset=ISO-8859-1 checkCIF/PLATON report (basic structural check)

checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 02src310
Bond precision: C-C = 0.0043 A Wavelength=0.71073
Cell: a=13.9569(2) b=14.6122(2) c=20.0025(4)
alpha=90 beta=98.6830(10) gamma=90
Calculated Reported
Volume 4032.58(11) 4032.58(11)
Space group P 21/c P2(1)/c
Hall group -P 2ybc ?
Moiety formula C41 H34 Cl2 Fe P2 Ru, 2(C H2 Cl2) ?
Sum formula C43 H38 Cl6 Fe P2 Ru C43 H38 Cl6 Fe P2 Ru
Mr 986.29 986.29
Dx,g cm-3 1.625 1.625
Z 4 4
Mu (mm-1) 1.243 1.243
F000 1992.0 1992.0
F000' 1993.13
h,k,lmax 18,18,25 18,18,25
Nref 9240 9187
Tmin,Tmax 0.812,0.928 0.807,0.929
Tmin' 0.800
Correction method= 'MULTI-SCAN'
Data completeness= Ratio = 0.99 Theta(max)= 27.49
R(reflections)= 0.0385( 7133) wR2(reflections)= 0.0947( 9187)
S = 1.016 Npar= 482

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

Alert level C PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors for C42
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 2 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 0 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 2 ALERT type 4 Improvement, methodology, query or suggestion

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 12/04/2005; check.def file version of 22/03/2005
Datablock 02src310 - ellipsoid plot

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