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Acta Cryst. (2007). E63, i144-i145 [ doi:10.1107/S1600536807024555 ]
NH4Ce(SO4)2·4H2O
Online 26 May 2007
Key indicators
- Single-crystal X-ray study
- T = 298 K
- Mean
![[sigma]](http://journals.iucr.org/logos/entities/sigma_rmgif.gif)
(S-O) = 0.007 Å
- R factor = 0.034
- wR factor = 0.068
- Data-to-parameter ratio = 10.3
checkCIF/PLATON results
No syntax errors found
Alert level B
PLAT416_ALERT_2_B Short Intra D-H..H-D H5 .. H6 .. 1.51 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D H8 .. H8 .. 1.45 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D H9 .. H11 .. 1.90 Ang.
PLAT417_ALERT_2_B Short Inter D-H..H-D H1 .. H12 .. 2.06 Ang.
PLAT420_ALERT_2_B D-H Without Acceptor O12 - H12 ... ?
PLAT707_ALERT_1_B D...A Calc 2.729(11), Rep 2.705(9), Dev.. 2.18 Sigma
O11 -O7 1.555 2.667
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
transparent
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT213_ALERT_2_C Atom O6 has ADP max/min Ratio ............. 3.50 prola
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 2.89 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O5
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O7
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Ce1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for S2
PLAT707_ALERT_1_C D...A Calc 2.896(13), Rep 2.918(14), Dev.. 1.69 Sigma
N1 -O12 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 0.79000, Rep 0.793(9) ...... Senseless su
N1 -H1 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 0.82000, Rep 0.823(9) ...... Senseless su
N1 -H3 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 1.00000, Rep 1.003(10) ...... Senseless su
N1 -H4 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 0.99000, Rep 0.992(7) ...... Senseless su
O9 -H5 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 0.84000, Rep 0.845(7) ...... Senseless su
O9 -H6 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 0.82000, Rep 0.815(7) ...... Senseless su
O11 -H9 1.555 1.555
PLAT755_ALERT_4_C D-H Calc 0.82000, Rep 0.824(6) ...... Senseless su
O11 -H10 1.555 1.555
PLAT756_ALERT_4_C H...A Calc 2.17000, Rep 2.167(10) ...... Senseless su
H1 -O12 1.555 1.555
PLAT756_ALERT_4_C H...A Calc 2.09000, Rep 2.088(6) ...... Senseless su
H3 -O4 1.555 1.555
PLAT756_ALERT_4_C H...A Calc 2.16000, Rep 2.157(6) ...... Senseless su
H4 -O2 1.555 1.655
PLAT756_ALERT_4_C H...A Calc 2.07000, Rep 2.068(7) ...... Senseless su
H5 -O7 1.555 1.555
PLAT756_ALERT_4_C H...A Calc 2.05000, Rep 2.052(6) ...... Senseless su
H6 -O1 1.555 4.555
PLAT756_ALERT_4_C H...A Calc 1.97000, Rep 1.969(9) ...... Senseless su
H9 -O12 1.555 2.767
PLAT756_ALERT_4_C H...A Calc 1.91000, Rep 1.906(7) ...... Senseless su
H10 -O7 1.555 2.667
PLAT758_ALERT_4_C D-H..A Calc 153.00, Rep 153.1(7) ...... Senseless su
N1 -H1 -O12 1.555 1.555 1.555
PLAT758_ALERT_4_C D-H..A Calc 166.00, Rep 165.6(7) ...... Senseless su
N1 -H3 -O4 1.555 1.555 1.555
PLAT758_ALERT_4_C D-H..A Calc 156.00, Rep 156.2(5) ...... Senseless su
O9 -H5 -O7 1.555 1.555 1.555
0 ALERT level A = In general: serious problem
6 ALERT level B = Potentially serious problem
27 ALERT level C = Check and explain
0 ALERT level G = General alerts; check
5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
11 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
17 ALERT type 4 Improvement, methodology, query or suggestion
0 ALERT type 5 Informative message, check
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