[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, m79-m80
[ doi:10.1107/S1600536812051227 ]

(4'-Ethynyl-2,2':6',2''-terpyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate

W. Chen, F. N. Rein, B. L. Scott and R. C. Rocha


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT213_ALERT_2_B Atom C13 has ADP max/min Ratio ..... 4.2 prola PLAT213_ALERT_2_B Atom C29 has ADP max/min Ratio ..... 4.1 prola PLAT214_ALERT_2_B Atom C34 (Anion/Solvent) ADP max/min Ratio 5.4 prola PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 1
Alert level C PLAT213_ALERT_2_C Atom C11 has ADP max/min Ratio ..... 3.6 prola PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of P1 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C33 PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C35 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.6 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.1 PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0129 Ang PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 5.809 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 46 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.70 eA-3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ru1 1.35 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of P2 PLAT244_ALERT_4_G Low 'Solvent' Ueq as Compared to Neighbors of P3 PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 35 Perc. PLAT371_ALERT_2_G Long C(sp2)-C(sp1) Bond C23 - C31 ... 1.44 Ang. PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 43 Perc. PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 39
0 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 12 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 9 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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