data_2011518
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  1308
_journal_page_last  1309
_publ_section_title
;
 (Ethanol-O)tris(nitrato-O,O')bis(triphenylphosphineoxide-O)cerium(III)
;
loop_
_publ_author_name
  'Levason, William'
  'Newman, Elizabeth H.'
  'Webster, Michael'
_chemical_formula_moiety  'C38 H36 Ce N3 O12 P2'
_chemical_formula_sum  'C38 H36 Ce N3 O12 P2'
_chemical_formula_iupac  '[Ce(NO3 )3 (C2 H6 O) (C18 H15 OP)2 ]'
_chemical_formula_weight  928.76
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  17.202(2)
_cell_length_b  10.9235(18)
_cell_length_c  22.3209(16)
_cell_angle_alpha  90.00
_cell_angle_beta  105.667(7)
_cell_angle_gamma  90.00
_cell_volume  4038.4(9)
_cell_formula_units_Z  4
_cell_measurement_temperature  298(2)
_exptl_crystal_density_diffrn  1.528
_diffrn_ambient_temperature  298(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Ce1  .935986(11)  .845034(17)  .122261(9)  .03401(8) Uani d . 1 . . Ce
  P1  .98415(6) 1.09819(9)  .24675(4)  .0402(2) Uani d . 1 . . P
  P2  .74181(6) 1.01207(9)  .03350(4)  .0403(2) Uani d . 1 . . P
  O1  .96965(16)  .9874(2)  .20534(12)  .0494(7) Uani d . 1 . . O
  O2  .82402(15)  .9676(2)  .06868(12)  .0486(6) Uani d . 1 . . O
  O3 1.1312(2) 1.0384(3)  .08543(18)  .0833(11) Uani d . 1 . . O
  O4 1.08556(17)  .8855(3)  .12796(15)  .0591(8) Uani d . 1 . . O
  O5 1.00307(17) 1.0194(3)  .07483(13)  .0557(7) Uani d . 1 . . O
  O6  .7300(2)  .6832(4)  .15403(18)  .0848(11) Uani d . 1 . . O
  O7  .81930(18)  .6931(3)  .10229(14)  .0564(7) Uani d . 1 . . O
  O8  .83481(19)  .8009(3)  .18607(14)  .0644(8) Uani d . 1 . . O
  O9 1.0696(2)  .5352(3)  .20339(17)  .0829(11) Uani d . 1 . . O
  O10 1.0130(2)  .7093(3)  .21247(13)  .0712(9) Uani d . 1 . . O
  O11 1.0044(2)  .6359(3)  .12186(14)  .0615(8) Uani d . 1 . . O
  O12  .9226(2)  .7860(3)  .01102(13)  .0636(8) Uani d D 1 . . O
  N1 1.0746(2)  .9828(3)  .09604(16)  .0536(9) Uani d . 1 . . N
  N2  .7927(2)  .7247(3)  .14777(16)  .0518(8) Uani d . 1 . . N
  N3 1.0298(2)  .6236(3)  .17991(18)  .0539(9) Uani d . 1 . . N
  C1 1.0874(2) 1.1462(3)  .26268(18)  .0442(9) Uani d . 1 . . C
  C2 1.1107(3) 1.2674(4)  .2757(2)  .0556(11) Uani d . 1 . . C
  H2 1.0720 1.3271  .2753  .088(3) Uiso calc R 1 . . H
  C3 1.1918(3) 1.2991(5)  .2893(2)  .0680(13) Uani d . 1 . . C
  H3 1.2074 1.3800  .2983  .088(3) Uiso calc R 1 . . H
  C4 1.2484(3) 1.2125(6)  .2895(2)  .0810(16) Uani d . 1 . . C
  H4 1.3024 1.2350  .2979  .088(3) Uiso calc R 1 . . H
  C5 1.2268(3) 1.0907(5)  .2774(3)  .0789(15) Uani d . 1 . . C
  H5 1.2661 1.0316  .2784  .088(3) Uiso calc R 1 . . H
  C6 1.1459(3) 1.0582(4)  .2637(2)  .0608(12) Uani d . 1 . . C
  H6 1.1309  .9770  .2552  .088(3) Uiso calc R 1 . . H
  C7  .9631(2) 1.0616(4)  .31972(16)  .0441(9) Uani d . 1 . . C
  C8  .9300(3)  .9493(4)  .3270(2)  .0589(11) Uani d . 1 . . C
  H8  .9208  .8919  .2950  .088(3) Uiso calc R 1 . . H
  C9  .9105(3)  .9221(5)  .3814(2)  .0731(14) Uani d . 1 . . C
  H9  .8878  .8466  .3862  .088(3) Uiso calc R 1 . . H
  C10  .9245(3) 1.0054(6)  .4282(2)  .0750(15) Uani d . 1 . . C
  H10  .9110  .9868  .4648  .088(3) Uiso calc R 1 . . H
  C11  .9583(3) 1.1170(6)  .4222(2)  .0717(14) Uani d . 1 . . C
  H11  .9676 1.1732  .4546  .088(3) Uiso calc R 1 . . H
  C12  .9783(3) 1.1458(4)  .3680(2)  .0599(11) Uani d . 1 . . C
  H12 1.0019 1.2209  .3639  .088(3) Uiso calc R 1 . . H
  C13  .9208(2) 1.2232(4)  .21345(18)  .0474(9) Uani d . 1 . . C
  C14  .9308(3) 1.2779(5)  .1594(2)  .0703(13) Uani d . 1 . . C
  H14  .9727 1.2525  .1433  .088(3) Uiso calc R 1 . . H
  C15  .8796(4) 1.3688(5)  .1299(3)  .0824(16) Uani d . 1 . . C
  H15  .8874 1.4057  .0945  .088(3) Uiso calc R 1 . . H
  C16  .8168(3) 1.4052(5)  .1527(3)  .0776(15) Uani d . 1 . . C
  H16  .7816 1.4657  .1321  .088(3) Uiso calc R 1 . . H
  C17  .8055(3) 1.3534(5)  .2054(3)  .0790(16) Uani d . 1 . . C
  H17  .7629 1.3788  .2206  .088(3) Uiso calc R 1 . . H
  C18  .8576(3) 1.2630(4)  .2361(2)  .0592(11) Uani d . 1 . . C
  H18  .8501 1.2286  .2723  .088(3) Uiso calc R 1 . . H
  C19  .6766(2) 1.0275(4)  .08375(17)  .0459(9) Uani d . 1 . . C
  C20  .5950(3) 1.0049(6)  .0655(2)  .0760(16) Uani d . 1 . . C
  H20  .5712  .9753  .0257  .088(3) Uiso calc R 1 . . H
  C21  .5480(3) 1.0256(6)  .1060(2)  .0914(19) Uani d . 1 . . C
  H21  .4928 1.0099  .0929  .088(3) Uiso calc R 1 . . H
  C22  .5812(3) 1.0685(5)  .1644(2)  .0769(15) Uani d . 1 . . C
  H22  .5490 1.0841  .1910  .088(3) Uiso calc R 1 . . H
  C23  .6629(4) 1.0886(5)  .1836(2)  .0809(15) Uani d . 1 . . C
  H23  .6866 1.1159  .2239  .088(3) Uiso calc R 1 . . H
  C24  .7106(3) 1.0685(5)  .1433(2)  .0661(13) Uani d . 1 . . C
  H24  .7658 1.0829  .1567  .088(3) Uiso calc R 1 . . H
  C25  .6929(2)  .9129(4)  -.02940(17)  .0429(9) Uani d . 1 . . C
  C26  .6693(3)  .7952(4)  -.0162(2)  .0611(11) Uani d . 1 . . C
  H26  .6784  .7693  .0248  .088(3) Uiso calc R 1 . . H
  C27  .6322(3)  .7178(5)  -.0647(3)  .0774(14) Uani d . 1 . . C
  H27  .6146  .6409  -.0562  .088(3) Uiso calc R 1 . . H
  C28  .6213(3)  .7543(5)  -.1254(2)  .0769(15) Uani d . 1 . . C
  H28  .5973  .7012  -.1577  .088(3) Uiso calc R 1 . . H
  C29  .6455(3)  .8678(5)  -.1387(2)  .0714(14) Uani d . 1 . . C
  H29  .6379  .8919  -.1799  .088(3) Uiso calc R 1 . . H
  C30  .6811(3)  .9460(4)  -.09110(19)  .0572(11) Uani d . 1 . . C
  H30  .6976 1.0231  -.1005  .088(3) Uiso calc R 1 . . H
  C31  .7487(2) 1.1606(3)  .00056(18)  .0440(9) Uani d . 1 . . C
  C32  .6832(3) 1.2368(4)  -.0170(2)  .0646(12) Uani d . 1 . . C
  H32  .6343 1.2139  -.0100  .088(3) Uiso calc R 1 . . H
  C33  .6898(3) 1.3478(4)  -.0449(3)  .0756(15) Uani d . 1 . . C
  H33  .6450 1.3991  -.0565  .088(3) Uiso calc R 1 . . H
  C34  .7606(4) 1.3833(5)  -.0558(2)  .0745(14) Uani d . 1 . . C
  H34  .7643 1.4581  -.0748  .088(3) Uiso calc R 1 . . H
  C35  .8271(3) 1.3066(5)  -.0383(3)  .0770(15) Uani d . 1 . . C
  H35  .8756 1.3297  -.0459  .088(3) Uiso calc R 1 . . H
  C36  .8217(3) 1.1958(4)  -.0096(2)  .0591(11) Uani d . 1 . . C
  H36  .8667 1.1452  .0028  .088(3) Uiso calc R 1 . . H
  C37A  .9266(9)  .6708(11)  -.0189(6)  .102(4) Uiso d PD  .50 A 1 C
  H37A  .9097  .6065  .0048  .088(3) Uiso calc PR  .50 A 1 H
  H37B  .9822  .6549  -.0184  .088(3) Uiso calc PR  .50 A 1 H
  C38A  .8749(8)  .6647(12)  -.0854(6)  .097(4) Uiso d PD  .50 A 1 C
  H38A  .8678  .5808  -.0985  .088(3) Uiso calc PR  .50 A 1 H
  H38B  .9009  .7087  -.1118  .088(3) Uiso calc PR  .50 A 1 H
  H38C  .8232  .7009  -.0881  .088(3) Uiso calc PR  .50 A 1 H
  C37B  .8814(6)  .6772(7)  -.0212(4)  .052(2) Uiso d PD  .50 A 2 C
  H37C  .8253  .6961  -.0413  .088(3) Uiso calc PR  .50 A 2 H
  H37D  .8831  .6116  .0084  .088(3) Uiso calc PR  .50 A 2 H
  C38B  .9236(8)  .6383(11)  -.0688(6)  .083(3) Uiso d PD  .50 A 2 C
  H38D  .8956  .5701  -.0921  .088(3) Uiso calc PR  .50 A 2 H
  H38E  .9781  .6148  -.0483  .088(3) Uiso calc PR  .50 A 2 H
  H38F  .9242  .7052  -.0966  .088(3) Uiso calc PR  .50 A 2 H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ce1  .03297(12)  .03499(12)  .03387(12)  .00191(9)  .00869(8)  .00204(9)
  P1  .0409(5)  .0418(5)  .0387(5)  -.0030(4)  .0124(4)  -.0039(4)
  P2  .0315(5)  .0451(5)  .0413(5)  .0034(4)  .0046(4)  .0008(4)
  O1  .0530(16)  .0490(15)  .0467(15)  -.0081(13)  .0144(13)  -.0110(12)
  O2  .0348(14)  .0511(15)  .0532(16)  .0042(12)  .0004(12)  .0014(13)
  O3  .064(2)  .081(2)  .118(3)  -.0157(18)  .049(2)  .016(2)
  O4  .0447(16)  .0588(18)  .078(2)  .0067(14)  .0233(15)  .0107(16)
  O5  .0461(17)  .0575(17)  .0615(18)  .0020(14)  .0111(14)  .0177(14)
  O6  .056(2)  .105(3)  .104(3)  -.028(2)  .039(2)  -.010(2)
  O7  .0630(19)  .0517(16)  .0591(18)  -.0137(14)  .0243(15)  -.0038(14)
  O8  .063(2)  .082(2)  .0524(17)  -.0212(17)  .0236(15)  -.0099(16)
  O9  .089(3)  .0559(19)  .088(2)  .0272(19)  -.003(2)  .0185(18)
  O10  .097(3)  .066(2)  .0470(17)  .0309(19)  .0129(17)  .0098(16)
  O11  .074(2)  .0517(18)  .0547(18)  .0156(15)  .0102(16)  .0005(14)
  O12  .095(2)  .0515(17)  .0433(16)  .0010(16)  .0159(16)  -.0053(14)
  N1  .059(2)  .052(2)  .058(2)  -.0063(18)  .0296(19)  -.0009(17)
  N2  .045(2)  .055(2)  .057(2)  -.0013(17)  .0177(17)  .0090(18)
  N3  .049(2)  .047(2)  .062(2)  .0069(16)  .0084(18)  .0108(17)
  C1  .041(2)  .051(2)  .042(2)  -.0053(17)  .0118(17)  -.0065(17)
  C2  .056(3)  .049(2)  .063(3)  -.011(2)  .018(2)  -.004(2)
  C3  .071(3)  .060(3)  .075(3)  -.020(3)  .024(3)  -.011(3)
  C4  .048(3)  .111(4)  .085(4)  -.024(3)  .019(3)  -.026(3)
  C5  .046(3)  .093(4)  .097(4)  .005(3)  .018(3)  -.029(3)
  C6  .048(2)  .064(3)  .067(3)  .006(2)  .010(2)  -.016(2)
  C7  .039(2)  .057(2)  .0354(19)  .0033(17)  .0083(16)  .0000(17)
  C8  .062(3)  .060(3)  .055(3)  -.005(2)  .016(2)  .004(2)
  C9  .072(3)  .091(4)  .058(3)  -.011(3)  .020(3)  .015(3)
  C10  .057(3)  .120(5)  .048(3)  .004(3)  .015(2)  .020(3)
  C11  .062(3)  .111(4)  .041(2)  -.001(3)  .012(2)  -.011(3)
  C12  .058(3)  .073(3)  .047(2)  -.008(2)  .013(2)  -.004(2)
  C13  .049(2)  .042(2)  .048(2)  -.0021(18)  .0083(18)  -.0034(18)
  C14  .075(3)  .079(3)  .062(3)  .017(3)  .026(3)  .020(3)
  C15  .090(4)  .082(4)  .071(3)  .003(3)  .014(3)  .027(3)
  C16  .075(4)  .048(3)  .095(4)  .008(3)  -.003(3)  .000(3)
  C17  .061(3)  .069(3)  .103(4)  .017(3)  .015(3)  -.005(3)
  C18  .051(3)  .061(3)  .067(3)  .009(2)  .018(2)  -.003(2)
  C19  .042(2)  .052(2)  .041(2)  .0069(18)  .0062(17)  .0013(18)
  C20  .039(2)  .136(5)  .051(3)  -.003(3)  .009(2)  -.018(3)
  C21  .048(3)  .165(6)  .066(3)  .004(3)  .023(3)  -.006(4)
  C22  .074(3)  .109(4)  .057(3)  .021(3)  .034(3)  .005(3)
  C23  .090(4)  .101(4)  .052(3)  .009(3)  .018(3)  -.017(3)
  C24  .061(3)  .083(3)  .050(3)  -.001(2)  .007(2)  -.014(2)
  C25  .0312(19)  .053(2)  .042(2)  .0010(17)  .0055(16)  -.0070(18)
  C26  .066(3)  .054(2)  .058(3)  -.003(2)  .006(2)  .000(2)
  C27  .086(4)  .054(3)  .086(4)  -.013(3)  .013(3)  -.005(3)
  C28  .073(3)  .087(4)  .072(3)  -.016(3)  .023(3)  -.033(3)
  C29  .072(3)  .097(4)  .048(3)  -.023(3)  .021(2)  -.017(3)
  C30  .054(3)  .073(3)  .048(2)  -.015(2)  .019(2)  -.007(2)
  C31  .043(2)  .043(2)  .045(2)  .0017(17)  .0096(17)  -.0044(17)
  C32  .062(3)  .056(3)  .076(3)  .010(2)  .019(2)  .013(2)
  C33  .075(4)  .055(3)  .091(4)  .019(3)  .014(3)  .013(3)
  C34  .091(4)  .052(3)  .077(3)  -.004(3)  .014(3)  .012(2)
  C35  .082(4)  .066(3)  .088(4)  -.020(3)  .031(3)  .010(3)
  C36  .049(2)  .058(3)  .070(3)  -.003(2)  .015(2)  .001(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ce1 O1 . 2.369(2) y
  Ce1 O2 . 2.385(2) y
  Ce1 O4 . 2.580(3) y
  Ce1 O5 . 2.596(3) y
  Ce1 O7 . 2.549(3) y
  Ce1 O8 . 2.575(3) y
  Ce1 O10 . 2.563(3) y
  Ce1 O11 . 2.572(3) y
  Ce1 O12 . 2.515(3) y
  Ce1 N2 . 2.980(3) ?
  Ce1 N3 . 2.998(3) ?
  Ce1 N1 . 3.008(3) ?
  P1 O1 . 1.502(3) y
  P1 C13 . 1.779(4) ?
  P1 C1 . 1.793(4) ?
  P1 C7 . 1.806(4) ?
  P2 O2 . 1.501(3) y
  P2 C25 . 1.793(4) ?
  P2 C19 . 1.795(4) ?
  P2 C31 . 1.799(4) ?
  O3 N1 . 1.224(4) y
  O4 N1 . 1.265(4) y
  O5 N1 . 1.259(4) y
  O6 N2 . 1.213(4) y
  O7 N2 . 1.268(4) y
  O8 N2 . 1.270(4) y
  O9 N3 . 1.217(4) y
  O10 N3 . 1.265(4) y
  O11 N3 . 1.258(4) y
  O12 C37A . 1.436(11) ?
  O12 C37B . 1.469(8) ?
  C1 C6 . 1.388(6) ?
  C1 C2 . 1.390(5) ?
  C2 C3 . 1.390(6) ?
  C2 H2 .  .9300 ?
  C3 C4 . 1.356(7) ?
  C3 H3 .  .9300 ?
  C4 C5 . 1.388(8) ?
  C4 H4 .  .9300 ?
  C5 C6 . 1.388(6) ?
  C5 H5 .  .9300 ?
  C6 H6 .  .9300 ?
  C7 C8 . 1.380(6) ?
  C7 C12 . 1.386(6) ?
  C8 C9 . 1.378(6) ?
  C8 H8 .  .9300 ?
  C9 C10 . 1.357(7) ?
  C9 H9 .  .9300 ?
  C10 C11 . 1.372(7) ?
  C10 H10 .  .9300 ?
  C11 C12 . 1.382(6) ?
  C11 H11 .  .9300 ?
  C12 H12 .  .9300 ?
  C13 C18 . 1.388(5) ?
  C13 C14 . 1.398(6) ?
  C14 C15 . 1.372(7) ?
  C14 H14 .  .9300 ?
  C15 C16 . 1.371(8) ?
  C15 H15 .  .9300 ?
  C16 C17 . 1.364(8) ?
  C16 H16 .  .9300 ?
  C17 C18 . 1.384(7) ?
  C17 H17 .  .9300 ?
  C18 H18 .  .9300 ?
  C19 C24 . 1.374(6) ?
  C19 C20 . 1.375(6) ?
  C20 C21 . 1.384(6) ?
  C20 H20 .  .9300 ?
  C21 C22 . 1.359(7) ?
  C21 H21 .  .9300 ?
  C22 C23 . 1.372(7) ?
  C22 H22 .  .9300 ?
  C23 C24 . 1.389(7) ?
  C23 H23 .  .9300 ?
  C24 H24 .  .9300 ?
  C25 C30 . 1.385(5) ?
  C25 C26 . 1.405(6) ?
  C26 C27 . 1.386(6) ?
  C26 H26 .  .9300 ?
  C27 C28 . 1.376(7) ?
  C27 H27 .  .9300 ?
  C28 C29 . 1.365(7) ?
  C28 H28 .  .9300 ?
  C29 C30 . 1.373(6) ?
  C29 H29 .  .9300 ?
  C30 H30 .  .9300 ?
  C31 C32 . 1.369(6) ?
  C31 C36 . 1.390(6) ?
  C32 C33 . 1.383(6) ?
  C32 H32 .  .9300 ?
  C33 C34 . 1.361(7) ?
  C33 H33 .  .9300 ?
  C34 C35 . 1.387(8) ?
  C34 H34 .  .9300 ?
  C35 C36 . 1.384(6) ?
  C35 H35 .  .9300 ?
  C36 H36 .  .9300 ?
  C37A C38A . 1.511(14) ?
  C37A H37A .  .9700 ?
  C37A H37B .  .9700 ?
  C38A H38A .  .9600 ?
  C38A H38B .  .9600 ?
  C38A H38C .  .9600 ?
  C37B C38B . 1.501(12) ?
  C37B H37C .  .9700 ?
  C37B H37D .  .9700 ?
  C38B H38D .  .9600 ?
  C38B H38E .  .9600 ?
  C38B H38F .  .9600 ?