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Acta Cryst. (2003). E59, i158-i160 [ doi:10.1107/S1600536803024887 ]
Redetermination of Te6[AsF6]4·2SO2 at 125 K
Online 8 November 2003
Key indicators
- Single-crystal X-ray study
- T = 125 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(S-O) = 0.005 Å
- R factor = 0.029
- wR factor = 0.077
- Data-to-parameter ratio = 17.5
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT432_ALERT_2_A Short Inter X...Y Contact Te1 .. F41 = 2.99 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact Te1 .. F33 = 3.00 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact Te1 .. F22 = 3.01 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact Te3 .. O22 = 2.94 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact Te4 .. O21 = 3.06 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact Te5 .. O11 = 2.94 Ang.
PLAT432_ALERT_2_A Short Inter X...Y Contact Te5 .. F44 = 2.95 Ang.
Alert level B
PLAT242_ALERT_2_B Check Low U(eq) as Compared to Neighbors .... As2
PLAT432_ALERT_2_B Short Inter X...Y Contact Te2 .. F15 = 3.10 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te2 .. F23 = 3.13 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te2 .. F12 = 3.22 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te3 .. F16 = 3.10 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te3 .. F14 = 3.15 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te3 .. F25 = 3.20 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te4 .. F11 = 3.05 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te4 .. F13 = 3.11 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te4 .. F42 = 3.11 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te5 .. F36 = 3.07 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te5 .. F14 = 3.13 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact Te5 .. F46 = 3.20 Ang.
Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT155_ALERT_4_C The Triclinic Unitcell is NOT Reduced .......... ?
PLAT213_ALERT_2_C Atom F46 has ADP max/min Ratio ............. 3.70 prolat
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... As3
PLAT242_ALERT_2_C Check Low U(eq) as Compared to Neighbors .... As4
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 3.04
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 2.81
PLAT250_ALERT_2_C Large U3/U1 ratio for average U(i,j) tensor .... 2.83
PLAT432_ALERT_2_C Short Inter X...Y Contact Te1 .. O12 = 3.30 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te4 .. F25 = 3.25 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te4 .. F23 = 3.28 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te6 .. F43 = 3.26 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te6 .. F45 = 3.30 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te6 .. F36 = 3.30 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact Te6 .. F32 = 3.32 Ang.
Alert level G
FORMU01_ALERT_1_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and _chemical_formula_moiety. This is
usually due to the moiety formula being in the wrong format.
Atom count from _chemical_formula_sum: As4 F24 O4 S2 Te6
Atom count from _chemical_formula_moiety:Te12
7 ALERT level A = In general: serious problem
13 ALERT level B = Potentially serious problem
15 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
33 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
1 ALERT type 4 Improvement, methodology, query or suggestion
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