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Acta Cryst. (2013). E69, m595-m596
[ doi:10.1107/S1600536813027347 ]

Tetra­quinolinium ditelluro(VI)octa­vanadate(V) octa­hydrate

S. Toumi, S. A. Toumi and M. Rzaigui


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT971_ALERT_2_A Large Calcd. Non-Metal Positive Residual Density 3.62 eA-3
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT971_ALERT_2_A Large Calcd. Non-Metal Positive Residual Density       3.51 eA-3  
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on     V2       2.74 eA-3  
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on     V1       2.22 eA-3  
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.

Alert level B PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density 3.39 eA-3
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.64 eA-3  
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.57 eA-3  
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.52 eA-3  

Alert level C RADNW01_ALERT_1_C The radiation wavelength lies outside the expected range for the supplied radiation type. Expected range 0.56080-0.56085 Wavelength given = 0.56087 RFACG01_ALERT_3_C The value of the R factor is > 0.10 R factor given 0.115 RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.308 PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 49 % PLAT082_ALERT_2_C High R1 Value .................................. 0.12 PLAT084_ALERT_3_C High wR2 Value (i.e. > 0.25) ................... 0.31 PLAT241_ALERT_2_C High Ueq as Compared to Neighbors for ..... C16 Check PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.2 Note PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0191 Ang. PLAT731_ALERT_1_C Bond Calc 3.2205(14), Rep 3.220(3) ...... 2 su-Rat TE1 -TE1 1.555 2.566 # 11 PLAT751_ALERT_4_C Bond Calc 0.85000, Rep 0.845(5) ...... Senseless su O1W -H2W1 1.555 1.555 # 51 PLAT751_ALERT_4_C Bond Calc 0.85000, Rep 0.849(7) ...... Senseless su O2W -H2W2 1.555 1.555 # 53 PLAT751_ALERT_4_C Bond Calc 0.84000, Rep 0.844(7) ...... Senseless su O3W -H2W3 1.555 1.555 # 55 PLAT752_ALERT_4_C Angle Calc 115.00, Rep 115(3) ...... Senseless su H1W1 -O1W -H2W1 1.555 1.555 1.555 # 212 PLAT752_ALERT_4_C Angle Calc 116.00, Rep 115(3) ...... Senseless su H1W2 -O2W -H2W2 1.555 1.555 1.555 # 213 PLAT752_ALERT_4_C Angle Calc 117.00, Rep 117(3) ...... Senseless su H1W3 -O3W -H2W3 1.555 1.555 1.555 # 214 PLAT755_ALERT_4_C D-H Calc 0.85000, Rep 0.845(5) ...... Senseless su O1W -H2W1 1.555 1.555 # 95 PLAT755_ALERT_4_C D-H Calc 0.85000, Rep 0.849(7) ...... Senseless su O2W -H2W2 1.555 1.555 # 95 PLAT755_ALERT_4_C D-H Calc 0.84000, Rep 0.844(7) ...... Senseless su O3W -H2W3 1.555 1.555 # 95 PLAT756_ALERT_4_C H...A Calc 1.82000, Rep 1.819(5) ...... Senseless su H2W1 -O2 1.555 2.556 # 95 PLAT756_ALERT_4_C H...A Calc 2.10000, Rep 2.104(12) ...... Senseless su H2W2 -O4W 1.555 2.757 # 95 PLAT756_ALERT_4_C H...A Calc 1.91000, Rep 1.910(11) ...... Senseless su H2W3 -O4W 1.555 1.555 # 95 PLAT758_ALERT_4_C D-H..A Calc 177.00, Rep 177.3(9) ...... Senseless su O3W -H2W3 -O4W 1.555 1.555 1.555 # 275 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 23.401 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 3.854 Check PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 7 Why ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 151 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.44 eA-3
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.73 eA-3  
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.54 eA-3  
Author Response: The is a false alert; ROTAX check indicate that the crystal is not twinned.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.33 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.07 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.92 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.89 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.81 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.78 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.70 eA-3  
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.65 eA-3  
PLAT976_ALERT_2_C Negative Residual Density at 0.98A from O13    .      -1.46 eA-3  

Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 13 Note PLAT003_ALERT_2_G Number of Uiso or Uij Restrained non-H Atoms ... 4 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 5 Why ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ Please Check PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 22.52 PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 4 Units PLAT154_ALERT_1_G The su's on the Cell Angles are Equal .......... 0.04000 Deg. PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- V1 .. 25.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- V2 .. 28.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- V3 .. 22.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- V4 .. 25.6 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- V1_a .. 32.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) Te1 -- V2_a .. 25.3 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V1 -- O12 .. 21.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V1 -- O4_a .. 26.5 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V1 -- O10_a .. 32.8 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V2 -- O4 .. 20.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V2 -- O10_a .. 31.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V2 -- O12_a .. 26.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V3 -- O10_a .. 28.9 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) V4 -- O10 .. 25.4 su PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 8 PLAT764_ALERT_4_G Overcomplete CIF Bond List Detected (Rep/Expd) . 1.20 Ratio PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 16 O13 -TE1 -V4 1.555 1.555 1.555 37.73 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 23 O11 -TE1 -V3 1.555 1.555 1.555 38.00 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 31 O12 -TE1 -V1 1.555 1.555 1.555 37.40 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 40 O4 -TE1 -V2 1.555 1.555 1.555 37.10 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 50 O10 -TE1 -TE1 1.555 1.555 2.566 39.14 Deg. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 51 O10 -TE1 -TE1 2.566 1.555 2.566 38.50 Deg. PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 5 H2 O PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 20 Note PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 14
4 ALERT level A = Most likely a serious problem - resolve or explain 4 ALERT level B = A potentially serious problem, consider carefully 39 ALERT level C = Check. Ensure it is not caused by an omission or oversight 33 ALERT level G = General information/check it is not something unexpected 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 40 ALERT type 2 Indicator that the structure model may be wrong or deficient 10 ALERT type 3 Indicator that the structure quality may be low 23 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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