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Acta Cryst. (2009). E65, i87 [ doi:10.1107/S1600536809046297 ]
Tricaesium dimolybdate(VI) bromide
A. S. Pakhomova and S. V. Krivovichev
Online 7 November 2009
Key indicators
- Single-crystal X-ray study
- T = 293 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(Mo-O) = 0.004 Å
- R factor = 0.025
- wR factor = 0.062
- Data-to-parameter ratio = 17.2
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT731_ALERT_1_B Bond Calc 3.344(5), Rep 3.3441(12) ...... 4.17 su-Ra
CS1 -O1 1.555 3.645
PLAT731_ALERT_1_B Bond Calc 3.344(5), Rep 3.3441(12) ...... 4.17 su-Ra
CS1 -O1 1.555 3.635
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: MO -- CS1 .. 4.01 Ang.
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: MO -- CS1 .. 4.01 Ang.
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: MO -- CS2 .. 4.14 Ang.
PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: MO -- CS2 .. 4.14 Ang.
Alert level C
PLAT731_ALERT_1_C Bond Calc 3.344(3), Rep 3.3441(12) ...... 2.50 su-Ra
CS1 -O1 1.555 4.755
PLAT731_ALERT_1_C Bond Calc 3.344(3), Rep 3.3441(12) ...... 2.50 su-Ra
CS1 -O1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 3.344(3), Rep 3.3441(12) ...... 2.50 su-Ra
CS1 -O1 1.555 1.655
PLAT731_ALERT_1_C Bond Calc 3.344(4), Rep 3.3441(12) ...... 3.33 su-Ra
CS1 -O1 1.555 4.865
PLAT731_ALERT_1_C Bond Calc 3.344(3), Rep 3.3441(12) ...... 2.50 su-Ra
O1 -CS1 1.555 1.455
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- CS1 .. 3.95 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS1 -- CS1 .. 3.95 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- BR .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- BR .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- O2 .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- O2 .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- O2 .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: CS2 -- BR .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: O2 -- CS2 .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: O2 -- CS2 .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: BR -- CS2 .. 3.69 Ang.
PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: BR -- CS2 .. 3.69 Ang.
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
Mo2 O7
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
Br0.08
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 3
Cs
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 4
Cs0.08
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 2
Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
0 ALERT level A = In general: serious problem
6 ALERT level B = Potentially serious problem
22 ALERT level C = Check and explain
2 ALERT level G = General alerts; check
25 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
0 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
5 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
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