checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: s92
Bond precision: C-C = 0.0041 A Wavelength=0.71073
Cell: a=21.480(4) b=7.2675(15) c=25.155(5)
alpha=90 beta=103.79(3) gamma=90
Temperature: 150 K
Calculated Reported
Volume 3813.7(14) 3813.7(13)
Space group P 21/c P2(1)/c
Hall group -P 2ybc ?
Moiety formula C38 H35 Cl2 N O4 P Rh, C H Cl3 ?
Sum formula C39 H36 Cl5 N O4 P Rh C39 H36 Cl5 N O4 P Rh
Mr 893.82 893.82
Dx,g cm-3 1.557 1.557
Z 4 4
Mu (mm-1) 0.882 0.882
F000 1816.0 1816.0
F000' 1815.46
h,k,lmax 27,9,32 27,9,32
Nref 8771 8591
Tmin,Tmax 0.876,0.876 0.879,0.879
Tmin' 0.876
Correction method= MULTI-SCANS
Data completeness= 0.979 Theta(max)= 27.500
R(reflections)= 0.0400( 6856) wR2(reflections)= 0.1061( 8591)
S = 1.025 Npar= 470

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

Alert level C ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without a literature citation. This should be contained in the _exptl_absorpt_process_details field. Absorption correction given as multi-scans PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.87 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.41 Ratio PLAT245_ALERT_2_C U(iso) H01 Smaller than U(eq) C01 by ... 0.01 AngSq PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbours of C01
Alert level G ABSTY01_ALERT_1_G Extra text has been found in the _exptl_absorpt_correction_type field, which should be only a single keyword. A literature citation should be included in the _exptl_absorpt_process_details field. PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct. 1 PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 5
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 2 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 1 ALERT type 3 Indicator that the structure quality may be low 3 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 19/05/2009; check.def file version of 13/05/2009
Datablock s92 - ellipsoid plot

Download CIF editor (publCIF) from the IUCr
Download CIF editor (enCIFer) from the CCDC
Test a new CIF entry