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Acta Cryst. (2002). E58, i76-i78 [ doi:10.1107/S1600536802014794 ]
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-chloro-bis[heptaaquacerium(III)] tetrachlorideOnline 23 August 2002
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(Ce-O) = 0.003 ÅNo syntax errors found ADDSYM reports no extra symmetryAlert Level B:
CHEMS_01 Alert B The sum formula contains elements in the wrong order. H precedes Ce Sequence must be C, H, then alphabetical.
| Author response: Don't see the problem. H atoms are first in the list as required (no C). Is software confusing C and Ce? |
Alert Level C:
PLAT_731 Alert C Bond Calc 0.84(6), Rep 0.83(2) .... 3.00 s.u-Ratio O1 -H1A 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(6), Rep 0.83(2) .... 3.00 s.u-Ratio O1 -H1B 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(6), Rep 0.83(2) .... 3.00 s.u-Ratio O2 -H2A 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(5), Rep 0.83(2) .... 2.50 s.u-Ratio O2 -H2B 1.555 1.555 PLAT_731 Alert C Bond Calc 0.85(6), Rep 0.84(2) .... 3.00 s.u-Ratio O3 -H3A 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(5), Rep 0.83(2) .... 2.50 s.u-Ratio O3 -H3B 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(5), Rep 0.84(2) .... 2.50 s.u-Ratio O4 -H4A 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(6), Rep 0.83(2) .... 3.00 s.u-Ratio O4 -H4B 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(5), Rep 0.83(2) .... 2.50 s.u-Ratio O5 -H5B 1.555 1.555 PLAT_731 Alert C Bond Calc 0.85(5), Rep 0.85(2) .... 2.50 s.u-Ratio O6 -H6A 1.555 1.555 PLAT_731 Alert C Bond Calc 0.83(5), Rep 0.84(2) .... 2.50 s.u-Ratio O7 -H7A 1.555 1.555 PLAT_731 Alert C Bond Calc 0.84(5), Rep 0.84(2) .... 2.50 s.u-Ratio O7 -H7B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.84(6), Rep 0.83(2) .... 3.00 s.u-Ratio O1 -H1A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(6), Rep 0.83(2) .... 3.00 s.u-Ratio O1 -H1B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(6), Rep 0.83(2) .... 3.00 s.u-Ratio O2 -H2A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(5), Rep 0.83(2) .... 2.50 s.u-Ratio O2 -H2B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.85(6), Rep 0.84(2) .... 3.00 s.u-Ratio O3 -H3A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(5), Rep 0.83(2) .... 2.50 s.u-Ratio O3 -H3B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(5), Rep 0.84(2) .... 2.50 s.u-Ratio O4 -H4A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(5), Rep 0.84(2) .... 2.50 s.u-Ratio O4 -H4A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(6), Rep 0.83(2) .... 3.00 s.u-Ratio O4 -H4B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(5), Rep 0.83(2) .... 2.50 s.u-Ratio O5 -H5B 1.555 1.555 PLAT_735 Alert C D-H Calc 0.85(5), Rep 0.85(2) .... 2.50 s.u-Ratio O6 -H6A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.83(5), Rep 0.84(2) .... 2.50 s.u-Ratio O7 -H7A 1.555 1.555 PLAT_735 Alert C D-H Calc 0.84(5), Rep 0.84(2) .... 2.50 s.u-Ratio O7 -H7B 1.555 1.555 PLAT_736 Alert C H...A Calc 2.30(6), Rep 2.30(2) .... 3.00 s.u-Ratio H3A -CL3 1.555 1.556 PLAT_736 Alert C H...A Calc 2.04(5), Rep 2.04(2) .... 2.50 s.u-Ratio H3B -O1 1.555 2.557 PLAT_736 Alert C H...A Calc 2.23(5), Rep 2.23(2) .... 2.50 s.u-Ratio H4A -O3 1.555 2.657 PLAT_736 Alert C H...A Calc 2.49(3), Rep 2.489(12) .... 2.50 s.u-Ratio H6B -O6 1.555 2.666 PLAT_736 Alert C H...A Calc 2.43(5), Rep 2.43(2) .... 2.50 s.u-Ratio H7B -CL3 1.555 1.556
0 Alert Level A = Potentially serious problem
1 Alert Level B = Potential problem
30 Alert Level C = Please check
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