data_2005088 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume 'C52' _journal_page_first 1673 _journal_page_last 1679 _publ_section_title ; Two Derivatives of Lithium Isodicyclopentadienide: [(1,2,3,3a,7a-\h)-4,5,6,7-Tetrahydro-4,7-methanoindenido](N,N,N',N'- tetramethylethylenediamine)lithium and Bis(1,4,7,10-tetraoxacyclododecane)lithium(1+) Bis[(1,2,3,3a,7a-\h)-4,5,6,7-tetrahydro-4,7-methanoindenido]lithate(1-) ; _chemical_formula_iupac '[Li (C8 H16 O4)2] [Li(C10 H11)2]' _chemical_formula_moiety 'C20 H22 Li 1-, C16 H32 Li O8 1+' _chemical_formula_sum 'C36 H54 Li2 O8' _chemical_formula_weight 628.71 _symmetry_cell_setting 'triclinic' loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x, -y, -z' _symmetry_space_group_name_H-M 'P -1' _cell_length_a 11.8180(10) _cell_length_b 16.129(2) _cell_length_c 9.8710(10) _cell_angle_alpha 107.050(10) _cell_angle_beta 108.230(10) _cell_angle_gamma 88.700(10) _cell_volume 1703.6(4) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.225 _cell_measurement_temperature 203 loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv O1A 1 .5565(2) .19810(10) .4620(2) .0458(7) O2A 1 .5289(2) .37060(10) .4776(2) .0445(6) O3A 1 .3235(2) .32120(10) .2361(2) .0518(7) O4A 1 .3495(2) .14950(10) .2224(2) .0523(7) C1A 1 .5619(3) .2578(2) .6002(3) .0500(10) C2A 1 .6034(3) .3438(2) .6020(3) .0510(10) C3A 1 .4203(3) .4012(2) .4956(4) .0550(10) C4A 1 .3429(3) .4050(2) .3466(4) .0590(10) C5A 1 .2254(3) .2690(3) .2323(5) .0770(10) C6A 1 .2362(3) .1786(3) .1595(4) .0690(10) C7A 1 .3605(3) .1246(2) .3532(4) .0600(10) C8A 1 .4879(3) .1179(2) .4251(4) .0610(10) O1B .690(10) .6981(4) .2693(3) .3098(5) .0350(10) O2B .690(10) .5636(4) .1187(3) .1241(5) .0440(10) O3B .690(10) .4290(5) .2350(4) .0008(6) .0480(10) O4B .690(10) .5636(4) .3887(3) .1870(5) .0500(10) C1B .690(10) .7475(5) .1851(4) .2972(6) .042(2) C2B .690(10) .6884(6) .1236(3) .1469(7) .050(2) C3B .690(10) .4906(6) .0951(3) -.0296(6) .050(2) C4B .690(10) .4766(5) .1688(3) -.0926(5) .053(2) C5B .690(10) .4176(5) .3143(5) -.0395(7) .049(2) C6B .690(10) .5307(5) .3703(3) .0285(6) .057(2) C7B .690(10) .6910(5) .4030(3) .2600(7) .039(2) C8B .690(10) .7514(4) .3216(3) .2487(5) .0410(10) O1C .310(10) .4180(10) .2045(7) -.010(2) .047(4) O2C .310(10) .5172(8) .3716(7) .1500(10) .041(3) O3C .310(10) .7010(10) .2988(7) .316(2) .043(4) O4C .310(10) .6030(10) .1308(8) .1620(10) .043(4) C1C .310(10) .4380(10) .2595(8) -.0850(10) .043(3) C2C .310(10) .432(2) .3547(10) .007(2) .055(5) C3C .310(10) .6350(10) .3906(7) .1570(10) .039(3) C4C .310(10) .7140(10) .3821(9) .3070(10) .036(4) C5C .310(10) .7709(9) .2355(7) .2530(10) .038(2) C6C .310(10) .7230(10) .1460(10) .240(2) .045(4) C7C .310(10) .5760(10) .1074(6) .0040(10) .036(2) C8C .310(10) .4420(10) .1170(9) -.0660(10) .039(3) Li3 1 .5005(5) .2556(4) .2523(6) .047(2) C9A 1 .0734(2) -.0013(2) .3103(3) .0325(8) C10A 1 .0808(3) .0865(2) .3961(3) .0394(9) C11A 1 .1637(3) .0941(2) .5378(3) .0411(9) C12A 1 .2097(3) .0130(2) .5397(3) .0380(9) C13A 1 .1514(2) -.0462(2) .3978(3) .0307(8) C14A 1 .1524(3) -0.1365(2) .2967(3) .0330(8) C15A 1 .2174(3) -0.1281(2) .1861(3) .0403(9) C16A 1 .1313(3) -.0789(2) .0884(3) .0433(10) C17A 1 .0264(3) -.0638(2) .1544(3) .0397(9) C18A 1 .0228(3) -0.1500(2) .1921(3) .0398(9) Li2 1 .0 .0 .5 .045(2) C9B 1 .8699(2) .5573(2) .1283(3) .0289(8) C10B 1 .8016(2) .4954(2) -.0043(3) .0360(9) C11B 1 .8460(3) .4140(2) .0011(3) .0412(9) C12B 1 .9383(3) .4251(2) .1381(4) .0408(10) C13B 1 .9533(2) .5146(2) .2152(3) .0319(8) C14B 1 1.0106(3) .5812(2) .3652(3) .0396(9) C15B 1 .9154(3) .6012(2) .4458(3) .0448(10) C16B 1 .8217(3) .6469(2) .3479(3) .0401(9) C17B 1 .8761(3) .6499(2) .2248(3) .0338(8) C18B 1 1.0093(3) .6637(2) .3169(3) .0409(9) Li1 1 1.0000 .5000 .0000 .040(2) H1 1 .0367 .1332 .3635 .0472 H2 1 .1861 .1477 .6222 .0493 H3 1 .2704 .0002 .6233 .0456 H4 1 .1790 -0.1811 .3466 .0396 H5 1 .2949 -0.0949 .2400 .0483 H6 1 .2291 -0.1856 .1249 .0483 H7 1 .1699 -0.0235 .0975 .0519 H8 1 .1034 -0.1142 -0.0169 .0519 H9 1 -0.0488 -0.0504 .0899 .0476 H10 1 .0085 -0.2015 .1044 .0478 H11 1 -0.0355 -0.1526 .2432 .0478 H12 1 .7359 .5065 -0.0850 .0431 H13 1 .8172 .3586 -0.0777 .0494 H14 1 .9832 .3792 .1727 .0490 H15 1 1.0887 .5685 .4244 .0475 H16 1 .8797 .5475 .4480 .0538 H17 1 .9500 .6398 .5482 .0538 H18 1 .7441 .6132 .3039 .0481 H19 1 .8124 .7057 .4068 .0481 H20 1 .8454 .6925 .1717 .0406 H21 1 1.0291 .7172 .4013 .0491 H22 1 1.0614 .6625 .2563 .0491 H23 1 .4825 .2603 .6121 .0604 H24 1 .6180 .2401 .6817 .0604 H25 1 .6851 .3412 .5976 .0615 H26 1 .6028 .3868 .6954 .0615 H27 1 .3823 .3613 .5295 .0665 H28 1 .4345 .4592 .5687 .0665 H29 1 .3815 .4460 .3156 .0711 H30 1 .2657 .4250 .3543 .0711 H31 1 .2263 .2761 .3347 .0926 H32 1 .1501 .2875 .1766 .0926 H33 1 .2239 .1711 .0536 .0824 H34 1 .1743 .1431 .1685 .0824 H35 1 .3292 .1685 .4217 .0722 H36 1 .3161 .0683 .3253 .0722 H37 1 .5171 .0723 .3566 .0733 H38 1 .4980 .1026 .5170 .0733 H39 .690(10) .8333 .1919 .3133 .0502 H40 .690(10) .7348 .1619 .3731 .0502 H41 .690(10) .7187 .0661 .1412 .0603 H42 .690(10) .7041 .1447 .0704 .0603 H43 .690(10) .5272 .0491 -0.0878 .0595 H44 .690(10) .4113 .0732 -0.0377 .0595 H45 .690(10) .4216 .1510 -0.1954 .0636 H46 .690(10) .5542 .1898 -0.0914 .0636 H47 .690(10) .3948 .2998 -0.1486 .0582 H48 .690(10) .3553 .3463 -0.0051 .0582 H49 .690(10) .5193 .4247 .0020 .0684 H50 .690(10) .5934 .3400 -0.0076 .0684 H51 .690(10) .7241 .4383 .2138 .0464 H52 .690(10) .7063 .4345 .3661 .0464 H53 .690(10) .8367 .3345 .3052 .0494 H54 .690(10) .7414 .2909 .1436 .0494 H55 .310(10) .5176 .2523 -0.0965 .0510 H56 .310(10) .3775 .2461 -0.1841 .0510 H57 .310(10) .3515 .3625 .0160 .0657 H58 .310(10) .4487 .3948 -0.0435 .0657 H59 .310(10) .6551 .3492 .0741 .0469 H60 .310(10) .6453 .4499 .1525 .0469 H61 .310(10) .6919 .4236 .3870 .0431 H62 .310(10) .7978 .3952 .3181 .0431 H63 .310(10) .7656 .2383 .1529 .0459 H64 .310(10) .8545 .2463 .3169 .0459 H65 .310(10) .7358 .1420 .3411 .0541 H66 .310(10) .7656 .1017 .1885 .0541 H67 .310(10) .6238 .1458 -0.0211 .0427 H68 .310(10) .5938 .0469 -0.0340 .0427 H69 .310(10) .3940 .0790 -0.0399 .0467 H70 .310(10) .4211 .1009 -0.1752 .0467