checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2008src0770
Bond precision: C-C = 0.0051 A Wavelength=0.71073
Cell: a=11.4631(1) b=12.2418(2) c=17.1604(2)
alpha=90 beta=95.555(1) gamma=90
Temperature: 120 K
Calculated Reported
Volume 2396.79(5) 2396.79(5)
Space group P 21/n P2(1)/n
Hall group -P 2yn ?
Moiety formula C27 H34 Cl N2 Rh ?
Sum formula C27 H34 Cl N2 Rh C27 H34 Cl N2 Rh
Mr 524.92 524.92
Dx,g cm-3 1.455 1.455
Z 4 4
Mu (mm-1) 0.841 0.841
F000 1088.0 1088.0
F000' 1084.39
h,k,lmax 14,15,22 14,15,22
Nref 5489 5483
Tmin,Tmax 0.817,0.975 0.730,0.975
Tmin' 0.714
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.999 Theta(max)= 27.480
R(reflections)= 0.0387( 5100) wR2(reflections)= 0.1103( 5483)
S = 1.056 Npar= 280

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

Alert level B PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Rh1 -- Cl1 .. 24.41 su
Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.77 PLAT413_ALERT_2_C Short Inter XH3 .. XHn H15C .. H15C .. 2.13 Ang. PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C8 PLAT380_ALERT_4_C Check Incorrectly? Oriented X(sp2)-Methyl Moiety C15
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 5 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 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 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 29/04/2008; check.def file version of 22/04/2008
Datablock 2008src0770 - ellipsoid plot

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