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Acta Cryst. (2005). E61, i64-i66 [ doi:10.1107/S1600536805008640 ]
(NH4)2[Ni(H2P2O7)2(H2O)2]
R. Essehli, M. Lachkar, I. Svoboda, H. Fuess and B. El Bali
Online 25 March 2005
Key indicators
- Single-crystal X-ray study
- T = 301 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(P-O) = 0.002 Å
- R factor = 0.033
- wR factor = 0.107
- Data-to-parameter ratio = 11.5
checkCIF/PLATON results
No syntax errors found
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 .... ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ?
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 4
O1 -NI1 -O1 -P1 3.00100.00 2.565 1.555 1.555 1.555
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... # 20
O5 -NI1 -O5 -P2 -44.00100.00 2.565 1.555 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.90(3), Rep 0.897(10) ...... 3.00 su-Rat
O2 -H2 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.90(3), Rep 0.901(10) ...... 3.00 su-Rat
O7 -H7 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.85(3), Rep 0.846(10) ...... 3.00 su-Rat
O8 -H81 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.898(19), Rep 0.895(9) ...... 2.11 su-Rat
N1 -H11 1.555 1.555
PLAT731_ALERT_1_C Bond Calc 0.90(3), Rep 0.896(10) ...... 3.00 su-Rat
N1 -H13 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 110(3), Rep 109.9(14) ...... 2.14 su-Rat
H12 -N1 -H13 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 110(3), Rep 109.8(14) ...... 2.14 su-Rat
H11 -N1 -H14 1.555 1.555 1.555
PLAT732_ALERT_1_C Angle Calc 110(3), Rep 109.5(14) ...... 2.14 su-Rat
H12 -N1 -H14 1.555 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.90(3), Rep 0.897(10) ...... 3.00 su-Rat
O2 -H2 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.90(3), Rep 0.901(10) ...... 3.00 su-Rat
O7 -H7 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.85(3), Rep 0.846(10) ...... 3.00 su-Rat
O8 -H81 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.898(19), Rep 0.895(9) ...... 2.11 su-Rat
N1 -H11 1.555 1.555
PLAT735_ALERT_1_C D-H Calc 0.90(3), Rep 0.896(10) ...... 3.00 su-Rat
N1 -H13 1.555 1.555
PLAT736_ALERT_1_C H...A Calc 1.61(3), Rep 1.615(13) ...... 2.31 su-Rat
H2 -O6 1.555 1.655
PLAT736_ALERT_1_C H...A Calc 1.95(3), Rep 1.950(10) ...... 3.00 su-Rat
H81 -O3 1.555 1.565
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
H4 N
0 ALERT level A = In general: serious problem
0 ALERT level B = Potentially serious problem
21 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
17 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
1 ALERT type 3 Indicator that the structure quality may be low
3 ALERT type 4 Improvement, methodology, query or suggestion
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