[Open access]

Acta Cryst. (2012). E68, i84-i85
[ doi:10.1107/S1600536812043863 ]

Tetraamminelithium triamminelithium trisulfide, [Li(NH3)4][Li(NH3)3S3]

C. Guentner and N. Korber


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.01 PLAT352_ALERT_3_C Short N-H Bond (0.87A) N3 - H3A ... 0.73 Ang. PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N1 - H1C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N3 - H3A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N3 - H3B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N5 - H5C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N6 - H6A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N6 - H6C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N7 - H7A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N8 - H8B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N9 - H9A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N9 - H9B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N9 - H9C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N10 - H10B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N10 - H10C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N11 - H11A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N11 - H11B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N11 - H11C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N12 - H12A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N12 - H12B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N12 - H12C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N13 - H13A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N13 - H13C ... ? PLAT420_ALERT_2_C D-H Without Acceptor N14 - H14A ... ? PLAT420_ALERT_2_C D-H Without Acceptor N14 - H14B ... ? PLAT420_ALERT_2_C D-H Without Acceptor N14 - H14C ... ? PLAT480_ALERT_4_C Long H...A H-Bond Reported H14C .. S5 .. 2.90 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H1C .. S3 .. 2.98 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H3B .. S3 .. 2.92 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H4A .. S6 .. 2.95 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H5B .. S5 .. 2.91 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H6C .. S5 .. 2.91 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H7A .. S4 .. 2.89 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H8C .. S2 .. 2.89 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H9A .. S1 .. 2.96 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H9B .. S6 .. 2.99 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H11B .. S3 .. 2.90 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12A .. S2 .. 3.01 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H12C .. S3 .. 2.93 Ang. PLAT480_ALERT_4_C Long H...A H-Bond Reported H13A .. S3 .. 3.01 Ang. PLAT481_ALERT_4_C Long D...A H-Bond Reported N13 .. S3 .. 3.86 Ang. PLAT705_ALERT_1_C D-H Calc 0.82(5), Rep 0.89(5), Dev.. 1.40 Sigma N7 -H7C 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.82(5), Rep 0.89(5), Dev.. 1.40 Sigma N7 -H7C 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.87(5), Rep 0.93(5), Dev.. 1.20 Sigma N14 -H14C 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.87(5), Rep 0.93(5), Dev.. 1.20 Sigma N14 -H14C 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.78(4), Rep 0.83(5), Dev.. 1.25 Sigma N1 -H1B 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.85(4), Rep 0.91(5), Dev.. 1.50 Sigma N2 -H2C 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.87(4), Rep 0.92(5), Dev.. 1.25 Sigma N8 -H8B 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.79(5), Rep 0.86(5), Dev.. 1.40 Sigma N13 -H13B 1.555 1.555 # 62 PLAT705_ALERT_1_C D-H Calc 0.79(4), Rep 0.85(5), Dev.. 1.50 Sigma N14 -H14B 1.555 1.555 # 62 PLAT706_ALERT_1_C H...A Calc 2.93(5), Rep 2.86(4), Dev.. 1.40 Sigma H7C -S2 1.555 1.555 # 62 PLAT706_ALERT_1_C H...A Calc 2.86(5), Rep 2.80(5), Dev.. 1.20 Sigma H7C -S3 1.555 1.555 # 62 PLAT706_ALERT_1_C H...A Calc 2.94(5), Rep 2.86(5), Dev.. 1.60 Sigma H14C -S6 1.555 1.555 # 62 PLAT706_ALERT_1_C H...A Calc 2.85(4), Rep 2.80(5), Dev.. 1.25 Sigma H1B -S6 1.555 4.576 # 62 PLAT706_ALERT_1_C H...A Calc 2.74(4), Rep 2.66(5), Dev.. 2.00 Sigma H2C -S6 1.555 3.666 # 62 PLAT706_ALERT_1_C H...A Calc 2.96(4), Rep 2.91(5), Dev.. 1.25 Sigma H5B -S5 1.555 3.676 # 62 PLAT706_ALERT_1_C H...A Calc 2.88(4), Rep 2.83(5), Dev.. 1.25 Sigma H8B -S1 1.555 3.676 # 62 PLAT706_ALERT_1_C H...A Calc 2.80(5), Rep 2.72(5), Dev.. 1.60 Sigma H13B -S1 1.555 3.576 # 62 PLAT706_ALERT_1_C H...A Calc 2.88(4), Rep 2.83(5), Dev.. 1.25 Sigma H14B -S3 1.555 3.566 # 62 PLAT708_ALERT_1_C D-H..A Calc 150(4), Rep 156(4), Dev.. 1.50 Sigma N6 -H6C -S5 1.555 1.555 4.576 # 112 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 11.655 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.426 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 39
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 68 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 ALERT level G = General information/check it is not something unexpected 20 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 29 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 16 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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