checkCIF/PLATON report (basic structural check)

No syntax errors found.                               CIF dictionary
Please wait while processing .... Interpreting this report
Datablock: 2008src0886
Bond precision: C-C = 0.0043 A Wavelength=0.71073
Cell: a=12.1766(1) b=14.4577(2) c=15.1547(2)
alpha=76.818(1) beta=79.622(1) gamma=73.510(1)
Temperature: 120 K
Calculated Reported
Volume 2471.67(5) 2471.67(5)
Space group P -1 P-1
Hall group -P 1 ?
Moiety formula C51 H32 Au2 Cl4 F6 O P2, 0.5(C6 H14) ?
Sum formula C54 H39 Au2 Cl4 F6 O P2 C54 H39 Au2 Cl4 F6 O P2
Mr 1415.53 1415.53
Dx,g cm-3 1.902 1.902
Z 2 2
Mu (mm-1) 6.273 6.273
F000 1362.0 1362.0
F000' 1356.37
h,k,lmax 15,18,19 15,18,19
Nref 11332 11310
Tmin,Tmax 0.120,0.367 0.211,0.433
Tmin' 0.091
Correction method= AbsCorr=MULTI-SCAN
Data completeness= Ratio = 0.998 Theta(max)= 27.480
R(reflections)= 0.0213( 10129) wR2(reflections)= 0.0438( 11310)
S = 1.081 Npar= 625

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

Alert level A PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 4.52 Ratio
Alert level B ABSTM02_ALERT_3_B The ratio of expected to reported Tmax/Tmin(RR) is > 1.50 Tmin and Tmax reported: 0.211 0.433 Tmin and Tmax expected: 0.118 0.367 RR = 1.510 Please check that your absorption correction is appropriate.
Alert level C PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.40 Ratio PLAT060_ALERT_4_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large ....... 1.49 PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 0.85 PLAT141_ALERT_4_C su on a - Axis Small or Missing (x 100000) ..... 10 Ang. PLAT154_ALERT_1_C The su's on the Cell Angles are Equal (x 10000) 100 Deg. PLAT180_ALERT_4_C Check Cell Rounding: # of Values Ending with 0 = 4
Alert level G ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be replaced by the scaled T values. Since the ratio of scaled T's is identical to the ratio of reported T values, the scaling does not imply a change to the absorption corrections used in the study. Ratio of Tmax expected/reported 0.846 Tmax scaled 0.367 Tmin scaled 0.178
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 1 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 3 ALERT type 3 Indicator that the structure quality may be low 4 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 2008src0886 - ellipsoid plot

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