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Acta Cryst. (2005). E61, m764-m766 [ doi:10.1107/S1600536805008822 ]
Dipotassium ethane-1,1-diylbis(diazeniumdiolate) monohydrate
N. Arulsamy and D. S. Bohle
Online 31 March 2005
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(C-C) = 0.008 Å
- R factor = 0.033
- wR factor = 0.084
- Data-to-parameter ratio = 20.2
checkCIF/PLATON results
No syntax errors found
Alert level A
PLAT052_ALERT_1_A (Proper) Absorption Correction Method Missing .. ?
Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.97
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
PLAT120_ALERT_1_C Reported SPGR R-3 Inconsistent with Explicit R-3R
PLAT128_ALERT_4_C Non-standard setting of Space group R-3 .... R-3r
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct... 1
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O1W
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for K1
PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 8
PLAT731_ALERT_1_C Bond Calc 2.644(3), Rep 2.6436(13) ...... 2.31 su-Rat
K1 -O2 1.555 3.655
PLAT731_ALERT_1_C Bond Calc 2.675(3), Rep 2.6748(13) ...... 2.31 su-Rat
K1 -O3 1.555 4.656
PLAT731_ALERT_1_C Bond Calc 3.8633(9), Rep 3.8632(19) ...... 2.11 su-Rat
K1 -K1 1.555 2.545
PLAT731_ALERT_1_C Bond Calc 2.725(3), Rep 2.7248(14) ...... 2.14 su-Rat
K2 -O3 1.555 4.656
PLAT731_ALERT_1_C Bond Calc 1.284(4), Rep 1.2841(19) ...... 2.11 su-Rat
N1 -N2 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 2.644(3), Rep 2.6436(13) ...... 2.31 su-Rat
O2 -K1 1.555 2.545
PLAT731_ALERT_1_C Bond Calc 1.304(4), Rep 1.3038(19) ...... 2.11 su-Rat
O3 -N3 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 2.675(3), Rep 2.6748(13) ...... 2.31 su-Rat
O3 -K1 1.555 4.656
PLAT731_ALERT_1_C Bond Calc 2.725(3), Rep 2.7248(14) ...... 2.14 su-Rat
O3 -K2 1.555 4.656
PLAT731_ALERT_1_C Bond Calc 1.475(5), Rep 1.475(2) ...... 2.50 su-Rat
N3 -C1 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 1.509(8), Rep 1.510(3) ...... 2.67 su-Rat
C1 -C2 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 16.8(13), Rep 16.7(6) ...... 2.17 su-Rat
O1W -K1 -H1A 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 125.5(3), Rep 125.46(14) ...... 2.14 su-Rat
N2 -N1 -O1 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 124.9(3), Rep 124.88(14) ...... 2.14 su-Rat
N4 -N3 -O3 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 119.1(3), Rep 119.06(14) ...... 2.14 su-Rat
N4 -N3 -C1 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 116.0(3), Rep 115.93(13) ...... 2.31 su-Rat
O3 -N3 -C1 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 113.2(3), Rep 113.20(14) ...... 2.14 su-Rat
N3 -N4 -O4 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 104.7(3), Rep 104.70(13) ...... 2.31 su-Rat
N1 -C1 -N3 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 106(3), Rep 105.5(13) ...... 2.31 su-Rat
N1 -C1 -H1 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 109(3), Rep 109.3(12) ...... 2.50 su-Rat
N3 -C1 -H1 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 111(3), Rep 111.2(12) ...... 2.50 su-Rat
C2 -C1 -H1 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 134(6), Rep 134(2) ...... 3.00 su-Rat
K2 -O1W -H1B 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 113(6), Rep 113(2) ...... 3.00 su-Rat
K1 -O1W -H1B 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -1.5(5), Rep -1.5(2) ...... 2.50 su-Rat
O1 -N1 -N2 -O2 1.555 1.555 1.555 1.555
PLAT733_ALERT_1_C Torsion Calc -178.7(3), Rep -178.69(14) ...... 2.14 su-Rat
O2 -N2 -N1 -C1 1.555 1.555 1.555 1.555
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) . 2.09 Ratio
1 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
35 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
28 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
3 ALERT type 2 Indicator that the structure model may be wrong or deficient
2 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
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