#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/05/1540511.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1540511
loop_
_publ_author_name
'Karmel, Isabell'
'Batrice, Rami'
'Eisen, Moris'
_publ_section_title
;
 Catalytic Organic Transformations Mediated by Actinide Complexes
;
_journal_issue                   4
_journal_name_full               Inorganics
_journal_page_first              392
_journal_paper_doi               10.3390/inorganics3040392
_journal_volume                  3
_journal_year                    2015
_chemical_formula_sum            'C38 H54 Li2 N4 O2'
_chemical_formula_weight         612.73
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                93.77(3)
_cell_angle_beta                 91.33(3)
_cell_angle_gamma                90.96(3)
_cell_formula_units_Z            2
_cell_length_a                   9.6687(19)
_cell_length_b                   9.948(2)
_cell_length_c                   19.611(4)
_cell_measurement_reflns_used    18968
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.49
_cell_measurement_theta_min      2.05
_cell_volume                     1881.4(7)
_computing_cell_refinement       'STOE X-AREA'
_computing_data_collection       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0399
_diffrn_reflns_av_sigmaI/netI    0.0499
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            15323
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.066
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.082
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.313
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         7395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0520
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0795P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1256
_refine_ls_wR_factor_ref         0.1347
_reflns_number_gt                5226
_reflns_number_total             7395
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            IP276.CIF
_cod_data_source_block           ip276
_cod_original_cell_volume        1881.3(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1540511
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O -0.34269(12) -0.27956(16) 0.56906(6) 0.0484(4) Uani 1 1 d . . .
Li1 Li -0.4637(3) -0.3801(3) 0.50571(14) 0.0372(7) Uani 1 1 d . . .
N1 N -0.43996(13) -0.36252(14) 0.40615(6) 0.0270(3) Uani 1 1 d . . .
N2 N -0.36083(14) -0.55551(15) 0.44935(7) 0.0355(4) Uani 1 1 d . . .
C1 C -0.35471(15) -0.46497(17) 0.40251(7) 0.0264(3) Uani 1 1 d . . .
C2 C -0.25335(15) -0.47872(16) 0.34787(8) 0.0263(3) Uani 1 1 d . . .
C3 C -0.17040(15) -0.49115(16) 0.30421(7) 0.0255(3) Uani 1 1 d . . .
C4 C -0.06748(15) -0.50440(16) 0.25249(7) 0.0245(3) Uani 1 1 d . . .
C5 C -0.05391(17) -0.62448(18) 0.21287(8) 0.0335(4) Uani 1 1 d . . .
H5 H -0.1140 -0.6989 0.2192 0.040 Uiso 1 1 calc R . .
C6 C 0.04741(19) -0.6350(2) 0.16428(9) 0.0430(5) Uani 1 1 d . . .
H6 H 0.0571 -0.7173 0.1375 0.052 Uiso 1 1 calc R . .
C7 C 0.13397(19) -0.5278(2) 0.15449(9) 0.0451(5) Uani 1 1 d . . .
H7 H 0.2029 -0.5360 0.1208 0.054 Uiso 1 1 calc R . .
C8 C 0.12145(19) -0.4087(2) 0.19304(9) 0.0439(5) Uani 1 1 d . . .
H8 H 0.1816 -0.3346 0.1861 0.053 Uiso 1 1 calc R . .
C9 C 0.02081(17) -0.39673(18) 0.24210(8) 0.0340(4) Uani 1 1 d . . .
H9 H 0.0122 -0.3142 0.2688 0.041 Uiso 1 1 calc R . .
C10 C -0.44350(16) -0.26869(17) 0.35248(8) 0.0297(4) Uani 1 1 d . . .
H10 H -0.3509 -0.2668 0.3308 0.036 Uiso 1 1 calc R . .
C11 C -0.47271(19) -0.12924(18) 0.38424(10) 0.0392(4) Uani 1 1 d . . .
H11A H -0.5635 -0.1299 0.4054 0.059 Uiso 1 1 calc R . .
H11B H -0.4722 -0.0644 0.3487 0.059 Uiso 1 1 calc R . .
H11C H -0.4012 -0.1033 0.4191 0.059 Uiso 1 1 calc R . .
C12 C -0.5523(2) -0.3115(2) 0.29807(9) 0.0406(4) Uani 1 1 d . . .
H12A H -0.5284 -0.3991 0.2761 0.061 Uiso 1 1 calc R . .
H12B H -0.5562 -0.2444 0.2637 0.061 Uiso 1 1 calc R . .
H12C H -0.6428 -0.3188 0.3192 0.061 Uiso 1 1 calc R . .
C13 C -0.24830(19) -0.6520(2) 0.45350(10) 0.0453(5) Uani 1 1 d . . .
H13 H -0.1838 -0.6395 0.4152 0.054 Uiso 1 1 calc R . .
C14 C -0.3043(3) -0.7953(3) 0.44762(16) 0.0839(9) Uani 1 1 d . . .
H14A H -0.3644 -0.8097 0.4861 0.126 Uiso 1 1 calc R . .
H14B H -0.2272 -0.8579 0.4483 0.126 Uiso 1 1 calc R . .
H14C H -0.3575 -0.8111 0.4046 0.126 Uiso 1 1 calc R . .
C15 C -0.1700(3) -0.6280(2) 0.51992(16) 0.0801(9) Uani 1 1 d . . .
H15A H -0.1307 -0.5363 0.5233 0.120 Uiso 1 1 calc R . .
H15B H -0.0952 -0.6929 0.5222 0.120 Uiso 1 1 calc R . .
H15C H -0.2327 -0.6390 0.5578 0.120 Uiso 1 1 calc R . .
C16 C -0.3586(2) -0.2752(3) 0.64114(10) 0.0569(6) Uani 1 1 d . . .
H16A H -0.4373 -0.3336 0.6529 0.068 Uiso 1 1 calc R . .
H16B H -0.3755 -0.1820 0.6595 0.068 Uiso 1 1 calc R . .
C17 C -0.2285(2) -0.3242(3) 0.66945(11) 0.0580(6) Uani 1 1 d . . .
H17A H -0.2336 -0.4229 0.6730 0.070 Uiso 1 1 calc R . .
H17B H -0.2080 -0.2802 0.7154 0.070 Uiso 1 1 calc R . .
C18 C -0.11912(19) -0.2877(2) 0.61996(10) 0.0463(5) Uani 1 1 d . . .
H18A H -0.0596 -0.3656 0.6084 0.056 Uiso 1 1 calc R . .
H18B H -0.0603 -0.2115 0.6394 0.056 Uiso 1 1 calc R . .
C19 C -0.20062(19) -0.2483(2) 0.55747(10) 0.0444(5) Uani 1 1 d . . .
H19A H -0.1881 -0.1508 0.5514 0.053 Uiso 1 1 calc R . .
H19B H -0.1690 -0.2995 0.5159 0.053 Uiso 1 1 calc R . .
Li2 Li 0.4891(3) 0.1240(3) 0.00704(13) 0.0309(6) Uani 1 1 d . . .
N3 N 0.34414(13) -0.03406(14) 0.03766(6) 0.0284(3) Uani 1 1 d . . .
N4 N 0.45718(13) 0.12766(13) 0.10713(6) 0.0262(3) Uani 1 1 d . A .
C21 C 0.35440(15) 0.03915(16) 0.09695(7) 0.0245(3) Uani 1 1 d . A .
C22 C 0.25493(16) 0.01939(16) 0.15074(8) 0.0270(3) Uani 1 1 d . . .
C23 C 0.17946(15) -0.00015(16) 0.19665(8) 0.0269(3) Uani 1 1 d . A .
C24 C 0.09291(15) -0.02654(15) 0.25285(7) 0.0243(3) Uani 1 1 d . . .
C25 C 0.15154(17) -0.06246(17) 0.31401(8) 0.0319(4) Uani 1 1 d . A .
H25 H 0.2492 -0.0684 0.3188 0.038 Uiso 1 1 calc R . .
C26 C 0.0682(2) -0.08967(19) 0.36812(9) 0.0389(4) Uani 1 1 d . . .
H26 H 0.1088 -0.1150 0.4099 0.047 Uiso 1 1 calc R A .
C27 C -0.07326(19) -0.08015(19) 0.36156(9) 0.0402(4) Uani 1 1 d . A .
H27 H -0.1302 -0.0991 0.3987 0.048 Uiso 1 1 calc R . .
C28 C -0.13213(18) -0.04330(19) 0.30149(9) 0.0378(4) Uani 1 1 d . . .
H28 H -0.2298 -0.0364 0.2973 0.045 Uiso 1 1 calc R A .
C29 C -0.05068(16) -0.01603(17) 0.24688(8) 0.0308(4) Uani 1 1 d . A .
H29 H -0.0922 0.0098 0.2055 0.037 Uiso 1 1 calc R . .
C30 C 0.21346(17) -0.10628(19) 0.01930(9) 0.0367(4) Uani 1 1 d . . .
H30 H 0.1443 -0.0819 0.0549 0.044 Uiso 1 1 calc R A .
C31 C 0.2330(3) -0.2575(2) 0.01620(13) 0.0629(6) Uani 1 1 d . A .
H31A H 0.3005 -0.2828 -0.0187 0.094 Uiso 1 1 calc R . .
H31B H 0.1444 -0.3036 0.0045 0.094 Uiso 1 1 calc R . .
H31C H 0.2669 -0.2840 0.0608 0.094 Uiso 1 1 calc R . .
C32 C 0.1600(2) -0.0621(3) -0.04875(11) 0.0557(6) Uani 1 1 d . A .
H32A H 0.1457 0.0354 -0.0452 0.084 Uiso 1 1 calc R . .
H32B H 0.0721 -0.1090 -0.0610 0.084 Uiso 1 1 calc R . .
H32C H 0.2277 -0.0841 -0.0840 0.084 Uiso 1 1 calc R . .
C33 C 0.47855(16) 0.19992(17) 0.17367(8) 0.0303(4) Uani 1 1 d . . .
H33 H 0.3872 0.2108 0.1961 0.036 Uiso 1 1 calc R A .
C34 C 0.5399(2) 0.3382(2) 0.16333(10) 0.0459(5) Uani 1 1 d . A .
H34A H 0.6287 0.3283 0.1406 0.069 Uiso 1 1 calc R . .
H34B H 0.5543 0.3880 0.2078 0.069 Uiso 1 1 calc R . .
H34C H 0.4763 0.3876 0.1349 0.069 Uiso 1 1 calc R . .
C35 C 0.5737(2) 0.1233(2) 0.21910(9) 0.0459(5) Uani 1 1 d . A .
H35A H 0.5301 0.0366 0.2279 0.069 Uiso 1 1 calc R . .
H35B H 0.5908 0.1761 0.2625 0.069 Uiso 1 1 calc R . .
H35C H 0.6616 0.1076 0.1963 0.069 Uiso 1 1 calc R . .
O2 O 0.4109(16) 0.2613(14) -0.0442(9) 0.044(3) Uani 0.600(14) 1 d P A 1
C36 C 0.4368(8) 0.2742(8) -0.1157(4) 0.0428(14) Uani 0.600(14) 1 d P A 1
H36A H 0.4802 0.1930 -0.1371 0.051 Uiso 0.600(14) 1 calc PR A 1
H36B H 0.4947 0.3548 -0.1231 0.051 Uiso 0.600(14) 1 calc PR A 1
C37 C 0.2834(16) 0.2897(15) -0.1423(7) 0.078(5) Uani 0.600(14) 1 d P A 1
H37A H 0.2805 0.3350 -0.1858 0.094 Uiso 0.600(14) 1 calc PR A 1
H37B H 0.2356 0.2009 -0.1493 0.094 Uiso 0.600(14) 1 calc PR A 1
C38 C 0.2236(10) 0.3691(11) -0.0898(6) 0.0589(19) Uani 0.600(14) 1 d P A 1
H38A H 0.2386 0.4659 -0.0967 0.071 Uiso 0.600(14) 1 calc PR A 1
H38B H 0.1228 0.3504 -0.0889 0.071 Uiso 0.600(14) 1 calc PR A 1
C39 C 0.2873(12) 0.3357(11) -0.0291(5) 0.053(2) Uani 0.600(14) 1 d P A 1
H39A H 0.2232 0.2804 -0.0035 0.064 Uiso 0.600(14) 1 calc PR A 1
H39B H 0.3115 0.4188 -0.0004 0.064 Uiso 0.600(14) 1 calc PR A 1
O2' O 0.403(3) 0.255(2) -0.0476(14) 0.057(5) Uani 0.400(14) 1 d P A 2
C36' C 0.3917(14) 0.2306(15) -0.1206(6) 0.055(3) Uani 0.400(14) 1 d P A 2
H36C H 0.4835 0.2468 -0.1402 0.066 Uiso 0.400(14) 1 calc PR A 2
H36D H 0.3662 0.1346 -0.1313 0.066 Uiso 0.400(14) 1 calc PR A 2
C37' C 0.2963(17) 0.3090(17) -0.1519(9) 0.040(2) Uani 0.400(14) 1 d P A 2
H37C H 0.2537 0.2616 -0.1933 0.048 Uiso 0.400(14) 1 calc PR A 2
H37D H 0.3374 0.3960 -0.1638 0.048 Uiso 0.400(14) 1 calc PR A 2
C38' C 0.1845(13) 0.3293(17) -0.0897(9) 0.060(3) Uani 0.400(14) 1 d P A 2
H38C H 0.1237 0.2489 -0.0865 0.072 Uiso 0.400(14) 1 calc PR A 2
H38D H 0.1275 0.4101 -0.0941 0.072 Uiso 0.400(14) 1 calc PR A 2
C39' C 0.305(2) 0.350(2) -0.0212(11) 0.102(7) Uani 0.400(14) 1 d P A 2
H39C H 0.3435 0.4425 -0.0154 0.122 Uiso 0.400(14) 1 calc PR A 2
H39D H 0.2655 0.3235 0.0223 0.122 Uiso 0.400(14) 1 calc PR A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C16 O1 C19 106.94(14) . .
C16 O1 Li1 123.29(15) . .
C19 O1 Li1 124.94(13) . .
O1 Li1 N1 118.80(16) . .
O1 Li1 N2 112.16(14) . 2_446
N1 Li1 N2 125.99(16) . 2_446
O1 Li1 N2 113.49(14) . .
N1 Li1 N2 64.67(10) . .
N2 Li1 N2 110.15(15) 2_446 .
O1 Li1 C1 114.37(14) . .
N1 Li1 C1 33.18(7) . .
N2 Li1 C1 130.17(16) 2_446 .
N2 Li1 C1 32.85(7) . .
O1 Li1 Li1 132.6(2) . 2_446
N1 Li1 Li1 95.41(17) . 2_446
N2 Li1 Li1 59.23(12) 2_446 2_446
N2 Li1 Li1 50.92(11) . 2_446
C1 Li1 Li1 76.38(14) . 2_446
C1 N1 C10 120.18(12) . .
C1 N1 Li1 91.30(13) . .
C10 N1 Li1 144.16(14) . .
C1 N2 C13 118.48(13) . .
C1 N2 Li1 125.81(14) . 2_446
C13 N2 Li1 112.23(14) . 2_446
C1 N2 Li1 79.87(12) . .
C13 N2 Li1 143.92(15) . .
Li1 N2 Li1 69.85(15) 2_446 .
N1 C1 N2 119.13(13) . .
N1 C1 C2 120.72(14) . .
N2 C1 C2 120.15(14) . .
N1 C1 Li1 55.52(10) . .
N2 C1 Li1 67.28(11) . .
C2 C1 Li1 159.71(14) . .
C3 C2 C1 179.05(18) . .
C2 C3 C4 178.56(17) . .
C9 C4 C5 119.14(14) . .
C9 C4 C3 119.86(14) . .
C5 C4 C3 121.00(15) . .
C6 C5 C4 119.74(17) . .
C7 C6 C5 120.53(17) . .
C6 C7 C8 120.34(16) . .
C7 C8 C9 119.81(18) . .
C8 C9 C4 120.44(16) . .
N1 C10 C11 108.68(13) . .
N1 C10 C12 110.93(14) . .
C11 C10 C12 110.71(15) . .
N2 C13 C15 110.12(17) . .
N2 C13 C14 110.91(17) . .
C15 C13 C14 109.07(19) . .
O1 C16 C17 105.93(16) . .
C16 C17 C18 105.37(18) . .
C17 C18 C19 104.23(15) . .
O1 C19 C18 106.62(15) . .
O2 Li2 O2' 3.3(13) . .
O2 Li2 N4 118.8(5) . .
O2' Li2 N4 120.1(8) . .
O2 Li2 N3 113.8(5) . 2_655
O2' Li2 N3 113.7(7) . 2_655
N4 Li2 N3 123.00(15) . 2_655
O2 Li2 N3 116.2(4) . .
O2' Li2 N3 113.5(7) . .
N4 Li2 N3 65.63(10) . .
N3 Li2 N3 108.89(13) 2_655 .
O2 Li2 C21 117.8(5) . .
O2' Li2 C21 116.8(7) . .
N4 Li2 C21 33.27(7) . .
N3 Li2 C21 126.48(14) 2_655 .
N3 Li2 C21 33.19(6) . .
O2 Li2 Li2 136.6(6) . 2_655
O2' Li2 Li2 133.5(8) . 2_655
N4 Li2 Li2 94.66(16) . 2_655
N3 Li2 Li2 57.58(11) 2_655 2_655
N3 Li2 Li2 51.31(11) . 2_655
C21 Li2 Li2 75.16(13) . 2_655
C21 N3 C30 118.85(12) . .
C21 N3 Li2 122.45(13) . 2_655
C30 N3 Li2 112.58(12) . 2_655
C21 N3 Li2 81.43(11) . .
C30 N3 Li2 144.14(13) . .
Li2 N3 Li2 71.11(13) 2_655 .
C21 N4 C33 120.23(12) . .
C21 N4 Li2 90.81(12) . .
C33 N4 Li2 146.92(13) . .
N4 C21 N3 119.09(13) . .
N4 C21 C22 120.44(13) . .
N3 C21 C22 120.45(14) . .
N4 C21 Li2 55.92(10) . .
N3 C21 Li2 65.38(10) . .
C22 C21 Li2 165.74(13) . .
C23 C22 C21 176.32(17) . .
C22 C23 C24 177.84(18) . .
C25 C24 C29 119.23(14) . .
C25 C24 C23 120.02(14) . .
C29 C24 C23 120.75(15) . .
C26 C25 C24 120.20(15) . .
C27 C26 C25 120.13(17) . .
C28 C27 C26 120.08(16) . .
C27 C28 C29 120.60(16) . .
C28 C29 C24 119.73(16) . .
N3 C30 C32 109.01(15) . .
N3 C30 C31 110.91(16) . .
C32 C30 C31 110.84(17) . .
N4 C33 C35 110.91(14) . .
N4 C33 C34 108.73(14) . .
C35 C33 C34 110.27(16) . .
C39 O2 C36 106.5(11) . .
C39 O2 Li2 127.1(9) . .
C36 O2 Li2 123.2(10) . .
O2 C36 C37 99.0(9) . .
C38 C37 C36 103.4(10) . .
C39 C38 C37 106.7(11) . .
C38 C39 O2 109.5(10) . .
C39' O2' C36' 113.1(19) . .
C39' O2' Li2 123.1(18) . .
C36' O2' Li2 119.8(15) . .
C37' C36' O2' 114.3(14) . .
C36' C37' C38' 99.6(14) . .
C37' C38' C39' 97.7(11) . .
O2' C39' C38' 97.0(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
O1 C16 1.423(2) .
O1 C19 1.430(2) .
O1 Li1 1.908(3) .
Li1 N1 1.990(3) .
Li1 N2 2.043(3) 2_446
Li1 N2 2.261(3) .
Li1 C1 2.413(3) .
Li1 Li1 2.471(6) 2_446
N1 C1 1.321(2) .
N1 C10 1.452(2) .
N2 C1 1.330(2) .
N2 C13 1.468(2) .
N2 Li1 2.043(3) 2_446
C1 C2 1.470(2) .
C2 C3 1.189(2) .
C3 C4 1.439(2) .
C4 C9 1.387(2) .
C4 C5 1.391(2) .
C5 C6 1.383(2) .
C6 C7 1.371(3) .
C7 C8 1.371(3) .
C8 C9 1.385(2) .
C10 C11 1.516(2) .
C10 C12 1.517(2) .
C13 C15 1.495(3) .
C13 C14 1.512(4) .
C16 C17 1.466(3) .
C17 C18 1.508(3) .
C18 C19 1.518(3) .
Li2 O2 1.904(15) .
Li2 O2' 1.93(2) .
Li2 N4 1.992(3) .
Li2 N3 2.044(3) 2_655
Li2 N3 2.211(3) .
Li2 C21 2.405(3) .
Li2 Li2 2.478(6) 2_655
N3 C21 1.3314(19) .
N3 C30 1.469(2) .
N3 Li2 2.044(3) 2_655
N4 C21 1.319(2) .
N4 C33 1.4565(19) .
C21 C22 1.464(2) .
C22 C23 1.196(2) .
C23 C24 1.434(2) .
C24 C25 1.385(2) .
C24 C29 1.397(2) .
C25 C26 1.385(2) .
C26 C27 1.377(3) .
C27 C28 1.371(3) .
C28 C29 1.382(2) .
C30 C32 1.514(3) .
C30 C31 1.517(3) .
C33 C35 1.515(3) .
C33 C34 1.516(3) .
O2 C39 1.442(19) .
O2 C36 1.445(18) .
C36 C37 1.574(18) .
C37 C38 1.398(18) .
C38 C39 1.390(16) .
O2' C39' 1.43(3) .
O2' C36' 1.44(3) .
C36' C37' 1.38(2) .
C37' C38' 1.65(2) .
C38' C39' 1.75(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C16 O1 Li1 N1 174.10(17) . .
C19 O1 Li1 N1 -33.8(3) . .
C16 O1 Li1 N2 12.7(2) . 2_446
C19 O1 Li1 N2 164.80(16) . 2_446
C16 O1 Li1 N2 -112.96(18) . .
C19 O1 Li1 N2 39.2(2) . .
C16 O1 Li1 C1 -148.99(17) . .
C19 O1 Li1 C1 3.1(3) . .
C16 O1 Li1 Li1 -55.2(3) . 2_446
C19 O1 Li1 Li1 96.9(3) . 2_446
O1 Li1 N1 C1 91.12(18) . .
N2 Li1 N1 C1 -110.3(2) 2_446 .
N2 Li1 N1 C1 -12.94(10) . .
Li1 Li1 N1 C1 -54.75(17) 2_446 .
O1 Li1 N1 C10 -61.8(3) . .
N2 Li1 N1 C10 96.8(3) 2_446 .
N2 Li1 N1 C10 -165.8(2) . .
C1 Li1 N1 C10 -152.9(3) . .
Li1 Li1 N1 C10 152.35(18) 2_446 .
O1 Li1 N2 C1 -98.99(17) . .
N1 Li1 N2 C1 13.06(10) . .
N2 Li1 N2 C1 134.31(16) 2_446 .
Li1 Li1 N2 C1 134.31(16) 2_446 .
O1 Li1 N2 C13 26.3(3) . .
N1 Li1 N2 C13 138.3(2) . .
N2 Li1 N2 C13 -100.4(2) 2_446 .
C1 Li1 N2 C13 125.3(3) . .
Li1 Li1 N2 C13 -100.4(2) 2_446 .
O1 Li1 N2 Li1 126.7(2) . 2_446
N1 Li1 N2 Li1 -121.25(17) . 2_446
N2 Li1 N2 Li1 0.0 2_446 2_446
C1 Li1 N2 Li1 -134.31(16) . 2_446
C10 N1 C1 N2 -174.76(15) . .
Li1 N1 C1 N2 23.21(18) . .
C10 N1 C1 C2 5.8(2) . .
Li1 N1 C1 C2 -156.27(16) . .
C10 N1 C1 Li1 162.03(18) . .
C13 N2 C1 N1 -167.46(16) . .
Li1 N2 C1 N1 35.3(2) 2_446 .
Li1 N2 C1 N1 -20.62(16) . .
C13 N2 C1 C2 12.0(2) . .
Li1 N2 C1 C2 -145.21(16) 2_446 .
Li1 N2 C1 C2 158.87(16) . .
C13 N2 C1 Li1 -146.84(19) . .
Li1 N2 C1 Li1 55.92(19) 2_446 .
O1 Li1 C1 N1 -105.88(19) . .
N2 Li1 C1 N1 96.5(2) 2_446 .
N2 Li1 C1 N1 158.08(17) . .
Li1 Li1 C1 N1 123.23(18) 2_446 .
O1 Li1 C1 N2 96.04(18) . .
N1 Li1 C1 N2 -158.08(17) . .
N2 Li1 C1 N2 -61.5(2) 2_446 .
Li1 Li1 C1 N2 -34.85(13) 2_446 .
O1 Li1 C1 C2 -19.9(5) . .
N1 Li1 C1 C2 85.9(4) . .
N2 Li1 C1 C2 -177.5(3) 2_446 .
N2 Li1 C1 C2 -116.0(4) . .
Li1 Li1 C1 C2 -150.8(4) 2_446 .
N1 C1 C2 C3 165(11) . .
N2 C1 C2 C3 -15(12) . .
Li1 C1 C2 C3 92(12) . .
C1 C2 C3 C4 -72(15) . .
C2 C3 C4 C9 -41(7) . .
C2 C3 C4 C5 138(7) . .
C9 C4 C5 C6 0.4(3) . .
C3 C4 C5 C6 -178.96(16) . .
C4 C5 C6 C7 -0.5(3) . .
C5 C6 C7 C8 0.3(3) . .
C6 C7 C8 C9 0.0(3) . .
C7 C8 C9 C4 0.0(3) . .
C5 C4 C9 C8 -0.2(3) . .
C3 C4 C9 C8 179.22(16) . .
C1 N1 C10 C11 -145.80(15) . .
Li1 N1 C10 C11 2.4(3) . .
C1 N1 C10 C12 92.27(17) . .
Li1 N1 C10 C12 -119.5(2) . .
C1 N2 C13 C15 114.1(2) . .
Li1 N2 C13 C15 -85.7(2) 2_446 .
Li1 N2 C13 C15 0.2(3) . .
C1 N2 C13 C14 -125.1(2) . .
Li1 N2 C13 C14 35.1(2) 2_446 .
Li1 N2 C13 C14 121.1(3) . .
C19 O1 C16 C17 -34.4(2) . .
Li1 O1 C16 C17 122.0(2) . .
O1 C16 C17 C18 28.8(3) . .
C16 C17 C18 C19 -12.8(2) . .
C16 O1 C19 C18 25.7(2) . .
Li1 O1 C19 C18 -130.16(18) . .
C17 C18 C19 O1 -7.4(2) . .
O2 Li2 N3 C21 -101.3(6) . .
O2' Li2 N3 C21 -103.5(9) . .
N4 Li2 N3 C21 10.19(9) . .
N3 Li2 N3 C21 128.68(15) 2_655 .
Li2 Li2 N3 C21 128.68(15) 2_655 .
O2 Li2 N3 C30 27.3(6) . .
O2' Li2 N3 C30 25.1(9) . .
N4 Li2 N3 C30 138.83(19) . .
N3 Li2 N3 C30 -102.7(2) 2_655 .
C21 Li2 N3 C30 128.6(2) . .
Li2 Li2 N3 C30 -102.7(2) 2_655 .
O2 Li2 N3 Li2 130.0(6) . 2_655
O2' Li2 N3 Li2 127.8(9) . 2_655
N4 Li2 N3 Li2 -118.49(15) . 2_655
N3 Li2 N3 Li2 0.0 2_655 2_655
C21 Li2 N3 Li2 -128.68(15) . 2_655
O2 Li2 N4 C21 97.5(5) . .
O2' Li2 N4 C21 94.0(9) . .
N3 Li2 N4 C21 -107.61(17) 2_655 .
N3 Li2 N4 C21 -10.17(9) . .
Li2 Li2 N4 C21 -53.67(16) 2_655 .
O2 Li2 N4 C33 -63.3(6) . .
O2' Li2 N4 C33 -66.8(9) . .
N3 Li2 N4 C33 91.6(3) 2_655 .
N3 Li2 N4 C33 -171.0(2) . .
C21 Li2 N4 C33 -160.8(3) . .
Li2 Li2 N4 C33 145.5(2) 2_655 .
C33 N4 C21 N3 -174.20(14) . .
Li2 N4 C21 N3 17.80(17) . .
C33 N4 C21 C22 4.3(2) . .
Li2 N4 C21 C22 -163.67(15) . .
C33 N4 C21 Li2 168.01(18) . .
C30 N3 C21 N4 -164.68(15) . .
Li2 N3 C21 N4 44.9(2) 2_655 .
Li2 N3 C21 N4 -16.17(15) . .
C30 N3 C21 C22 16.8(2) . .
Li2 N3 C21 C22 -133.62(16) 2_655 .
Li2 N3 C21 C22 165.30(16) . .
C30 N3 C21 Li2 -148.51(17) . .
Li2 N3 C21 Li2 61.08(17) 2_655 .
O2 Li2 C21 N4 -101.0(6) . .
O2' Li2 C21 N4 -104.6(9) . .
N3 Li2 C21 N4 96.18(19) 2_655 .
N3 Li2 C21 N4 162.91(16) . .
Li2 Li2 C21 N4 123.84(17) 2_655 .
O2 Li2 C21 N3 96.1(6) . .
O2' Li2 C21 N3 92.5(9) . .
N4 Li2 C21 N3 -162.91(16) . .
N3 Li2 C21 N3 -66.73(18) 2_655 .
Li2 Li2 C21 N3 -39.08(12) 2_655 .
O2 Li2 C21 C22 -21.3(8) . .
O2' Li2 C21 C22 -24.9(11) . .
N4 Li2 C21 C22 79.7(5) . .
N3 Li2 C21 C22 175.9(4) 2_655 .
N3 Li2 C21 C22 -117.4(5) . .
Li2 Li2 C21 C22 -156.4(5) 2_655 .
N4 C21 C22 C23 -71(3) . .
N3 C21 C22 C23 107(3) . .
Li2 C21 C22 C23 -142(2) . .
C21 C22 C23 C24 -7(7) . .
C22 C23 C24 C25 22(5) . .
C22 C23 C24 C29 -158(5) . .
C29 C24 C25 C26 1.0(2) . .
C23 C24 C25 C26 -179.19(15) . .
C24 C25 C26 C27 -0.5(3) . .
C25 C26 C27 C28 -0.2(3) . .
C26 C27 C28 C29 0.3(3) . .
C27 C28 C29 C24 0.2(3) . .
C25 C24 C29 C28 -0.9(2) . .
C23 C24 C29 C28 179.33(15) . .
C21 N3 C30 C32 123.14(17) . .
Li2 N3 C30 C32 -83.68(18) 2_655 .
Li2 N3 C30 C32 5.0(3) . .
C21 N3 C30 C31 -114.55(18) . .
Li2 N3 C30 C31 38.6(2) 2_655 .
Li2 N3 C30 C31 127.3(2) . .
C21 N4 C33 C35 89.79(18) . .
Li2 N4 C33 C35 -112.6(2) . .
C21 N4 C33 C34 -148.80(15) . .
Li2 N4 C33 C34 8.8(3) . .
O2' Li2 O2 C39 85(20) . .
N4 Li2 O2 C39 -28.0(16) . .
N3 Li2 O2 C39 174.9(12) 2_655 .
N3 Li2 O2 C39 47.3(16) . .
C21 Li2 O2 C39 9.9(16) . .
Li2 Li2 O2 C39 107.7(14) 2_655 .
O2' Li2 O2 C36 -72(20) . .
N4 Li2 O2 C36 174.9(9) . .
N3 Li2 O2 C36 17.8(13) 2_655 .
N3 Li2 O2 C36 -109.9(10) . .
C21 Li2 O2 C36 -147.2(9) . .
Li2 Li2 O2 C36 -49.4(14) 2_655 .
C39 O2 C36 C37 -29.4(12) . .
Li2 O2 C36 C37 131.7(11) . .
O2 C36 C37 C38 38.3(14) . .
C36 C37 C38 C39 -32.7(15) . .
C37 C38 C39 O2 14.6(15) . .
C36 O2 C39 C38 11.8(13) . .
Li2 O2 C39 C38 -148.4(11) . .
O2 Li2 O2' C39' -75(20) . .
N4 Li2 O2' C39' -6(2) . .
N3 Li2 O2' C39' -166.5(18) 2_655 .
N3 Li2 O2' C39' 68(2) . .
C21 Li2 O2' C39' 32(2) . .
Li2 Li2 O2' C39' 126.5(19) 2_655 .
O2 Li2 O2' C36' 129(21) . .
N4 Li2 O2' C36' -161.9(13) . .
N3 Li2 O2' C36' 37.8(19) 2_655 .
N3 Li2 O2' C36' -87.4(16) . .
C21 Li2 O2' C36' -124.0(14) . .
Li2 Li2 O2' C36' -29(2) 2_655 .
C39' O2' C36' C37' 4(2) . .
Li2 O2' C36' C37' 162.5(15) . .
O2' C36' C37' C38' -30(2) . .
C36' C37' C38' C39' 39.6(18) . .
C36' O2' C39' C38' 22(2) . .
Li2 O2' C39' C38' -134.8(16) . .
C37' C38' C39' O2' -36.6(18) . .
