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Acta Cryst. (2008). E64, m270-m271 [ doi:10.1107/S1600536807064276 ]
Hexaaquamanganese(II) dipicrate dihydrate
Online 4 January 2008
Key indicators
- Single-crystal X-ray study
- T = 294 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.005 Å
- R factor = 0.047
- wR factor = 0.158
- Data-to-parameter ratio = 10.1
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT432_ALERT_2_B Short Inter X...Y Contact C2 .. C2 .. 3.09 Ang.
PLAT432_ALERT_2_B Short Inter X...Y Contact C4 .. C4 .. 3.06 Ang.
Alert level C
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT432_ALERT_2_C Short Inter X...Y Contact O6 .. C1 .. 3.01 Ang.
PLAT432_ALERT_2_C Short Inter X...Y Contact O7 .. C5 .. 2.97 Ang.
PLAT731_ALERT_1_C Bond Calc 0.84(4), Rep 0.846(10) ...... 4.00 su-Ra
O1 -H1A 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(4), Rep 0.852(10) ...... 4.00 su-Ra
O1 -H1B 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.848(10) ...... 3.00 su-Ra
O2 -H2A 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.84(3), Rep 0.841(10) ...... 3.00 su-Ra
O2 -H2B 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.83(3), Rep 0.832(10) ...... 3.00 su-Ra
O3 -H3A 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.847(10) ...... 3.00 su-Ra
O11 -H11A 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.84(4), Rep 0.846(10) ...... 4.00 su-Ra
O1 -H1A 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(4), Rep 0.852(10) ...... 4.00 su-Ra
O1 -H1B 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.848(10) ...... 3.00 su-Ra
O2 -H2A 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.848(10) ...... 3.00 su-Ra
O2 -H2A 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.83(3), Rep 0.832(10) ...... 3.00 su-Ra
O3 -H3A 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.847(10) ...... 3.00 su-Ra
O11 -H11A 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.84(3), Rep 0.841(10) ...... 3.00 su-Ra
O2 -H2B 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.94(4), Rep 1.938(12) ...... 3.33 su-Ra
H1A -O11 1.555 7.575
PLAT736_ALERT_1_C H...A Calc 2.05(3), Rep 2.048(12) ...... 2.50 su-Ra
H2A -O10 1.555 3.645
PLAT736_ALERT_1_C H...A Calc 1.95(3), Rep 1.951(12) ...... 2.50 su-Ra
H3A -O11 1.555 1.545
Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 8
0 ALERT level A = In general: serious problem
2 ALERT level B = Potentially serious problem
19 ALERT level C = Check and explain
1 ALERT level G = General alerts; check
17 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
4 ALERT type 2 Indicator that the structure model may be wrong or deficient
1 ALERT type 3 Indicator that the structure quality may be low
0 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
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