TITL 11 in P2(1)/c CELL 0.71073 6.8953 16.4266 8.6791 90 108.814 90 ZERR 4 0.0003 0.0006 0.0004 0 0.004 0 LATT 1 SYMM 0.5-X,0.5+Y,0.5-Z SFAC C H N Cl Cu UNIT 24 40 16 8 4 L.S. 4 PLAN 5 SIZE 0.25 0.24 0.19 BOND bond $h conf htab fmap 2 acta OMIT -3 50.01 REM C:\XRD\DATA\ZZULI\HM\olex%202%20data\110%20zzuli0910013a%20ok\complet REM ed%20data\11.hkl WGHT 0.0119 FVAR 0.5489 Cu1 5 1.00000 0.00000 1.00000 10.50000 0.01947 0.02090 0.01831 = 0.00501 0.00933 0.00542 Cu2 5 1.50000 0.00000 1.00000 10.50000 0.01701 0.02764 0.01526 = 0.00217 0.00413 0.00625 C1 1 0.73943 0.10136 0.60432 11.00000 0.01465 0.02911 0.01723 = 0.00634 0.00179 -0.00300 AFIX 23 H1b 2 0.67506 0.08071 0.68068 11.00000 -1.20000 H1a 2 0.67906 0.07335 0.50157 11.00000 -1.20000 AFIX 0 C2 1 0.69615 0.19286 0.57928 11.00000 0.01944 0.03201 0.03052 = 0.00618 0.00544 0.00740 AFIX 23 H2a 2 0.55377 0.20245 0.56920 11.00000 -1.20000 H2b 2 0.77957 0.22139 0.67576 11.00000 -1.20000 AFIX 0 C3 1 0.73682 0.22928 0.43235 11.00000 0.03230 0.02042 0.03014 = 0.00397 0.00330 0.00153 AFIX 23 H3b 2 0.68678 0.28488 0.41948 11.00000 -1.20000 H3a 2 0.65731 0.19922 0.33661 11.00000 -1.20000 AFIX 0 C4 1 0.95877 0.23004 0.43700 11.00000 0.03808 0.02733 0.02581 = 0.00995 0.00751 -0.00506 AFIX 23 H4a 2 0.96787 0.26093 0.34432 11.00000 -1.20000 H4b 2 1.03947 0.25843 0.53462 11.00000 -1.20000 AFIX 0 C5 1 1.05310 0.14716 0.43464 11.00000 0.02820 0.04966 0.01884 = 0.01316 0.01023 0.00297 AFIX 23 H5a 2 0.96105 0.11447 0.34883 11.00000 -1.20000 H5b 2 1.18049 0.15338 0.41093 11.00000 -1.20000 AFIX 0 C6 1 0.96168 0.08343 0.66668 11.00000 0.02040 0.01418 0.01534 = -0.00158 0.00582 -0.00219 N1 3 1.06701 0.04761 0.80626 11.00000 0.01268 0.01930 0.01561 = 0.00336 0.00249 0.00178 N2 3 1.26604 0.04763 0.80876 11.00000 0.01536 0.02485 0.01746 = 0.00333 0.00596 0.00307 N3 3 1.28465 0.08226 0.68182 11.00000 0.02016 0.03328 0.02126 = 0.00661 0.00848 0.00569 N4 3 1.09382 0.10469 0.59221 11.00000 0.02048 0.02739 0.01707 = 0.00626 0.00621 0.00346 Cl1 4 1.37780 0.07096 1.17296 11.00000 0.02161 0.02889 0.02108 = -0.00309 0.00703 0.00200 Cl2 4 0.81739 0.11304 1.01499 11.00000 0.02614 0.02321 0.02607 = 0.00316 0.01044 0.00807 HKLF 4 END