#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:50:40 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185354 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/94/7039431.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_7039431
loop_
_publ_author_name
'Duan, Yu-Lai'
'He, Jia-Xuan'
'Wang, Wei'
'Zhou, Jing-Jing'
'Huang, Yong'
'Yang, Ying'
_publ_section_title
;
 Synthesis and characterization of dinuclear rare-earth complexes
 supported by amine-bridged bis(phenolate) ligands and their catalytic
 activity for the ring-opening polymerization of l-lactide.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10807
_journal_page_last               10820
_journal_paper_doi               10.1039/c6dt01486k
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety
'C94 H146 Li6 N2 O16, 2(C4 O), C4 H6 O, C2, 2(C H2)'
_chemical_formula_sum            'C110 H156 Li6 N2 O19'
_chemical_formula_weight         1852.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-01 deposited with the CCDC.
2016-06-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.886(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.2206(6)
_cell_length_b                   26.5314(12)
_cell_length_c                   26.9480(10)
_cell_measurement_reflns_used    6888
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4780
_cell_measurement_theta_min      3.1440
_cell_volume                     11952.4(8)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_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  0.0343
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            26990
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.13
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.78546
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.029
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4000
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.602
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     758
_refine_ls_number_reflns         10504
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1321
_refine_ls_R_factor_gt           0.0959
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+66.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1860
_refine_ls_wR_factor_ref         0.1976
_reflns_number_gt                6994
_reflns_number_total             10504
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01486k1.cif
_cod_data_source_block           hy76
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039431--7039442.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7039431
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Li1 Li 0.2261(3) 0.1149(2) 0.1546(2) 0.0332(13) Uani 1 1 d . B .
Li2 Li 0.3240(3) 0.1168(2) 0.1020(2) 0.0391(14) Uani 1 1 d . B .
Li3 Li -0.0709(4) 0.1173(3) 0.2151(3) 0.0514(17) Uani 1 1 d . . .
O1 O 0.27633(13) 0.06146(9) 0.12576(9) 0.0361(6) Uani 1 1 d . . .
O2 O 0.27924(13) 0.17030(9) 0.13189(9) 0.0347(6) Uani 1 1 d . . .
O3 O 0.16424(13) 0.11382(10) 0.20426(9) 0.0394(6) Uani 1 1 d . B .
O4 O 0.03842(14) 0.11695(11) 0.21157(9) 0.0480(7) Uani 1 1 d . . .
O5 O 0.44352(14) 0.11545(12) 0.12394(11) 0.0556(8) Uani 1 1 d . . .
O6 O 0.31291(17) 0.12924(12) 0.02848(10) 0.0575(8) Uani 1 1 d . . .
O7 O -0.13411(18) 0.05787(17) 0.18720(15) 0.0829(12) Uani 1 1 d . C .
O8 O -0.1307(2) 0.17694(15) 0.18701(15) 0.0881(12) Uani 1 1 d . C .
N1 N 0.12077(15) 0.11747(11) 0.09949(10) 0.0298(6) Uani 1 1 d . . .
C1 C 0.2277(2) 0.02252(13) 0.12613(13) 0.0330(8) Uani 1 1 d . . .
C2 C 0.2535(2) -0.02236(14) 0.15368(14) 0.0372(8) Uani 1 1 d . . .
C3 C 0.1980(2) -0.06011(15) 0.15353(16) 0.0474(10) Uani 1 1 d . . .
H3A H 0.2153 -0.0891 0.1723 0.057 Uiso 1 1 calc R . .
C4 C 0.1179(2) -0.05758(16) 0.12712(16) 0.0491(10) Uani 1 1 d . A .
C5 C 0.0939(2) -0.01342(14) 0.09985(14) 0.0423(9) Uani 1 1 d . . .
H5A H 0.0408 -0.0102 0.0819 0.051 Uiso 1 1 calc R . .
C6 C 0.1463(2) 0.02584(13) 0.09858(13) 0.0340(8) Uani 1 1 d . . .
C7 C 0.1190(2) 0.07218(13) 0.06744(13) 0.0340(8) Uani 1 1 d . . .
H7A H 0.1532 0.0776 0.0441 0.041 Uiso 1 1 calc R . .
H7B H 0.0649 0.0670 0.0472 0.041 Uiso 1 1 calc R . .
C8 C 0.1231(2) 0.16461(13) 0.07051(12) 0.0318(8) Uani 1 1 d . . .
H8A H 0.0698 0.1717 0.0498 0.038 Uiso 1 1 calc R . .
H8B H 0.1581 0.1598 0.0475 0.038 Uiso 1 1 calc R . .
C9 C 0.15182(19) 0.20915(13) 0.10418(13) 0.0316(8) Uani 1 1 d . . .
C10 C 0.1013(2) 0.24903(14) 0.10633(13) 0.0357(8) Uani 1 1 d . . .
H10A H 0.0486 0.2474 0.0873 0.043 Uiso 1 1 calc R . .
C11 C 0.1265(2) 0.29187(14) 0.13612(13) 0.0377(8) Uani 1 1 d . . .
C12 C 0.2061(2) 0.29252(14) 0.16305(13) 0.0372(8) Uani 1 1 d . . .
H12A H 0.2245 0.3207 0.1830 0.045 Uiso 1 1 calc R . .
C13 C 0.2601(2) 0.25375(14) 0.16209(13) 0.0349(8) Uani 1 1 d . . .
C14 C 0.23295(19) 0.20992(13) 0.13298(13) 0.0306(8) Uani 1 1 d . . .
C15 C 0.05897(18) 0.11729(15) 0.12820(12) 0.0343(8) Uani 1 1 d . . .
H15A H 0.0248 0.0882 0.1179 0.041 Uiso 1 1 calc R . .
H15B H 0.0262 0.1472 0.1192 0.041 Uiso 1 1 calc R . .
C16 C 0.09080(19) 0.11598(14) 0.18534(13) 0.0355(8) Uani 1 1 d . . .
C17 C 0.3406(2) -0.02841(15) 0.18333(15) 0.0438(9) Uani 1 1 d . . .
C18 C 0.3613(2) 0.01148(17) 0.22509(15) 0.0546(11) Uani 1 1 d . . .
H18A H 0.3266 0.0079 0.2479 0.082 Uiso 1 1 calc R . .
H18B H 0.3545 0.0444 0.2099 0.082 Uiso 1 1 calc R . .
H18C H 0.4159 0.0073 0.2438 0.082 Uiso 1 1 calc R . .
C19 C 0.3575(3) -0.08011(17) 0.2090(2) 0.0669(14) Uani 1 1 d . . .
H19A H 0.3239 -0.0848 0.2325 0.100 Uiso 1 1 calc R . .
H19B H 0.4126 -0.0819 0.2273 0.100 Uiso 1 1 calc R . .
H19C H 0.3464 -0.1060 0.1835 0.100 Uiso 1 1 calc R . .
C20 C 0.3962(2) -0.02323(17) 0.14695(17) 0.0532(11) Uani 1 1 d . . .
H20A H 0.3881 0.0091 0.1304 0.080 Uiso 1 1 calc R . .
H20B H 0.3846 -0.0494 0.1217 0.080 Uiso 1 1 calc R . .
H20C H 0.4508 -0.0261 0.1660 0.080 Uiso 1 1 calc R . .
C21 C 0.0593(3) -0.10032(19) 0.1300(2) 0.0733(16) Uani 1 1 d . . .
C22 C 0.0422(6) -0.0938(3) 0.1905(4) 0.074(3) Uani 0.60 1 d P A 2
H22A H 0.0922 -0.0891 0.2150 0.112 Uiso 0.60 1 calc PR A 2
H22B H 0.0164 -0.1236 0.1990 0.112 Uiso 0.60 1 calc PR A 2
H22C H 0.0084 -0.0651 0.1910 0.112 Uiso 0.60 1 calc PR A 2
C23 C -0.0202(9) -0.0928(6) 0.0992(6) 0.079(5) Uani 0.40 1 d P A 2
H23A H -0.0199 -0.0956 0.0637 0.118 Uiso 0.40 1 calc PR A 2
H23B H -0.0386 -0.0598 0.1057 0.118 Uiso 0.40 1 calc PR A 2
H23C H -0.0552 -0.1178 0.1076 0.118 Uiso 0.40 1 calc PR A 2
C22' C 0.0001(11) -0.0874(7) 0.1528(7) 0.097(6) Uani 0.40 1 d P A 1
H22D H -0.0472 -0.0789 0.1272 0.146 Uiso 0.40 1 calc PR A 1
H22E H 0.0167 -0.0589 0.1748 0.146 Uiso 0.40 1 calc PR A 1
H22F H -0.0112 -0.1153 0.1727 0.146 Uiso 0.40 1 calc PR A 1
C23' C 0.0054(7) -0.1108(4) 0.0693(4) 0.101(4) Uani 0.60 1 d P A 1
H23D H 0.0408 -0.1125 0.0468 0.152 Uiso 0.60 1 calc PR A 1
H23E H -0.0321 -0.0838 0.0589 0.152 Uiso 0.60 1 calc PR A 1
H23F H -0.0231 -0.1421 0.0680 0.152 Uiso 0.60 1 calc PR A 1
C24 C 0.0984(3) -0.15071(18) 0.1363(2) 0.0852(17) Uani 1 1 d . A .
H24A H 0.1115 -0.1603 0.1050 0.128 Uiso 1 1 calc R . .
H24B H 0.0625 -0.1751 0.1449 0.128 Uiso 1 1 calc R . .
H24C H 0.1463 -0.1492 0.1632 0.128 Uiso 1 1 calc R . .
C25 C 0.0696(2) 0.33455(15) 0.14249(16) 0.0471(10) Uani 1 1 d . . .
C26 C 0.0478(3) 0.32794(17) 0.19405(18) 0.0625(13) Uani 1 1 d . . .
H26A H 0.0229 0.2957 0.1950 0.094 Uiso 1 1 calc R . .
H26B H 0.0116 0.3542 0.1983 0.094 Uiso 1 1 calc R . .
H26C H 0.0955 0.3298 0.2211 0.094 Uiso 1 1 calc R . .
C27 C -0.0074(3) 0.33356(18) 0.1006(2) 0.0744(16) Uani 1 1 d . . .
H27A H -0.0325 0.3012 0.1002 0.112 Uiso 1 1 calc R . .
H27B H 0.0046 0.3396 0.0681 0.112 Uiso 1 1 calc R . .
H27C H -0.0429 0.3593 0.1071 0.112 Uiso 1 1 calc R . .
C28 C 0.1088(3) 0.38638(16) 0.14277(19) 0.0637(12) Uani 1 1 d . . .
H28A H 0.1228 0.3917 0.1108 0.096 Uiso 1 1 calc R . .
H28B H 0.1562 0.3879 0.1701 0.096 Uiso 1 1 calc R . .
H28C H 0.0720 0.4121 0.1476 0.096 Uiso 1 1 calc R . .
C29 C 0.3483(2) 0.25796(15) 0.19149(14) 0.0407(9) Uani 1 1 d . . .
C30 C 0.3668(2) 0.30849(17) 0.21906(18) 0.0616(13) Uani 1 1 d . . .
H30A H 0.3338 0.3124 0.2429 0.092 Uiso 1 1 calc R . .
H30B H 0.3560 0.3354 0.1945 0.092 Uiso 1 1 calc R . .
H30C H 0.4221 0.3094 0.2370 0.092 Uiso 1 1 calc R . .
C31 C 0.3681(2) 0.21624(17) 0.23237(15) 0.0525(11) Uani 1 1 d . . .
H31A H 0.3341 0.2197 0.2557 0.079 Uiso 1 1 calc R . .
H31B H 0.4230 0.2191 0.2508 0.079 Uiso 1 1 calc R . .
H31C H 0.3595 0.1838 0.2161 0.079 Uiso 1 1 calc R . .
C32 C 0.4024(2) 0.25314(16) 0.15411(16) 0.0487(10) Uani 1 1 d . . .
H32A H 0.3898 0.2794 0.1289 0.073 Uiso 1 1 calc R . .
H32B H 0.3940 0.2209 0.1375 0.073 Uiso 1 1 calc R . .
H32C H 0.4573 0.2561 0.1725 0.073 Uiso 1 1 calc R . .
C33 C 0.4904(2) 0.1149(2) 0.17534(17) 0.0649(13) Uani 1 1 d . B .
H33A H 0.4742 0.0873 0.1941 0.078 Uiso 1 1 calc R . .
H33B H 0.4835 0.1462 0.1924 0.078 Uiso 1 1 calc R . .
C34 C 0.5760(3) 0.1087(3) 0.1731(2) 0.0868(18) Uani 1 1 d . . .
C35 C 0.5679(5) 0.0760(5) 0.1269(4) 0.110(4) Uani 0.60 1 d P B 2
H35A H 0.5686 0.0407 0.1364 0.132 Uiso 0.60 1 calc PR B 2
H35B H 0.6115 0.0821 0.1106 0.132 Uiso 0.60 1 calc PR B 2
C36 C 0.4860(4) 0.0899(4) 0.0898(3) 0.078(3) Uani 0.60 1 d P B 2
H36A H 0.4934 0.1121 0.0628 0.094 Uiso 0.60 1 calc PR B 2
H36B H 0.4575 0.0599 0.0748 0.094 Uiso 0.60 1 calc PR B 2
C35' C 0.5821(6) 0.1397(7) 0.1356(6) 0.087(5) Uani 0.40 1 d P B 1
H35C H 0.6198 0.1266 0.1172 0.105 Uiso 0.40 1 calc PR B 1
H35D H 0.6004 0.1727 0.1491 0.105 Uiso 0.40 1 calc PR B 1
C36' C 0.4974(5) 0.1434(5) 0.0997(4) 0.054(3) Uani 0.40 1 d P B 1
H36C H 0.4809 0.1784 0.0949 0.064 Uiso 0.40 1 calc PR B 1
H36D H 0.4971 0.1290 0.0666 0.064 Uiso 0.40 1 calc PR B 1
C37 C 0.2883(4) 0.0989(2) -0.0157(2) 0.0855(17) Uani 1 1 d . B .
H37A H 0.2615 0.0688 -0.0081 0.103 Uiso 1 1 calc R . .
H37B H 0.3340 0.0890 -0.0287 0.103 Uiso 1 1 calc R . .
C38 C 0.2327(3) 0.1307(3) -0.0535(2) 0.095(2) Uani 1 1 d . . .
H38A H 0.2428 0.1266 -0.0872 0.114 Uiso 1 1 calc R B .
H38B H 0.1777 0.1213 -0.0552 0.114 Uiso 1 1 calc R . .
C39 C 0.2475(3) 0.1835(2) -0.03599(19) 0.0798(16) Uani 1 1 d . B .
H39A H 0.2629 0.2041 -0.0618 0.096 Uiso 1 1 calc R . .
H39B H 0.2002 0.1981 -0.0280 0.096 Uiso 1 1 calc R . .
C40 C 0.3134(3) 0.1798(2) 0.0103(2) 0.0841(18) Uani 1 1 d . B .
H40A H 0.3641 0.1872 0.0022 0.101 Uiso 1 1 calc R . .
H40B H 0.3054 0.2035 0.0360 0.101 Uiso 1 1 calc R . .
C41 C -0.1262(8) 0.0080(5) 0.2235(5) 0.069(3) Uani 0.50 1 d P C 2
H41A H -0.0721 -0.0052 0.2310 0.083 Uiso 0.50 1 calc PR C 2
H41B H -0.1403 0.0158 0.2554 0.083 Uiso 0.50 1 calc PR C 2
C41' C -0.1015(10) 0.0194(7) 0.1958(10) 0.151(10) Uani 0.50 1 d P C 1
H41C H -0.0637 0.0201 0.2289 0.182 Uiso 0.50 1 calc PR C 1
H41D H -0.0729 0.0114 0.1698 0.182 Uiso 0.50 1 calc PR C 1
C42 C -0.1793(4) -0.0261(3) 0.1953(4) 0.134(3) Uani 1 1 d . . .
H42A H -0.1800 -0.0569 0.2117 0.161 Uiso 1 1 calc R C 1
C43 C -0.2411(4) 0.0028(3) 0.1594(3) 0.116(3) Uani 1 1 d . C .
H43A H -0.2936 -0.0041 0.1651 0.140 Uiso 1 1 calc R . .
H43B H -0.2415 -0.0058 0.1243 0.140 Uiso 1 1 calc R . .
C44 C -0.2190(3) 0.0580(3) 0.1700(2) 0.094(2) Uani 1 1 d . . .
H44A H -0.2361 0.0780 0.1392 0.113 Uiso 1 1 calc R C .
H44B H -0.2435 0.0714 0.1961 0.113 Uiso 1 1 calc R . .
C45 C -0.2119(6) 0.1810(5) 0.1840(6) 0.072(4) Uani 0.40 1 d P C 2
H45A H -0.2271 0.1646 0.2124 0.087 Uiso 0.40 1 calc PR C 2
H45B H -0.2441 0.1683 0.1519 0.087 Uiso 0.40 1 calc PR C 2
C46 C -0.2157(11) 0.2384(7) 0.1874(12) 0.095(8) Uani 0.50 1 d P C 2
H46A H -0.2695 0.2503 0.1726 0.114 Uiso 0.50 1 calc PR C 2
H46B H -0.2003 0.2492 0.2228 0.114 Uiso 0.50 1 calc PR C 2
C47 C -0.1594(7) 0.2589(4) 0.1587(6) 0.099(4) Uani 0.70 1 d P C 2
H47A H -0.1296 0.2875 0.1759 0.119 Uiso 0.70 1 calc PR C 2
H47B H -0.1864 0.2683 0.1241 0.119 Uiso 0.70 1 calc PR C 2
C48 C -0.1059(8) 0.2125(4) 0.1597(7) 0.163(7) Uani 0.70 1 d P C 2
H48A H -0.1095 0.2006 0.1252 0.195 Uiso 0.70 1 calc PR C 2
H48B H -0.0506 0.2211 0.1751 0.195 Uiso 0.70 1 calc PR C 2
C45' C -0.1620(8) 0.2131(4) 0.2247(4) 0.107(4) Uani 0.60 1 d P C 1
H45C H -0.2020 0.1961 0.2387 0.128 Uiso 0.60 1 calc PR C 1
H45D H -0.1182 0.2234 0.2527 0.128 Uiso 0.60 1 calc PR C 1
C46' C -0.1970(19) 0.2569(9) 0.1943(8) 0.130(11) Uani 0.50 1 d P C 1
H46C H -0.2489 0.2652 0.2002 0.156 Uiso 0.50 1 calc PR C 1
H46D H -0.1623 0.2861 0.2024 0.156 Uiso 0.50 1 calc PR C 1
C47' C -0.204(3) 0.2412(11) 0.1425(13) 0.151(18) Uani 0.30 1 d P C 1
H47C H -0.2577 0.2283 0.1281 0.182 Uiso 0.30 1 calc PR C 1
H47D H -0.1947 0.2694 0.1218 0.182 Uiso 0.30 1 calc PR C 1
C48' C -0.1480(10) 0.2039(8) 0.1436(7) 0.059(5) Uani 0.30 1 d PU C 1
H48C H -0.1674 0.1812 0.1151 0.071 Uiso 0.30 1 calc PR C 1
H48D H -0.0992 0.2193 0.1389 0.071 Uiso 0.30 1 calc PR C 1
C49 C 0.2183(12) -0.1054(8) -0.0014(13) 0.269(19) Uani 0.50 1 d P . .
H49A H 0.2142 -0.1255 0.0279 0.322 Uiso 0.50 1 calc PR . .
H49B H 0.2498 -0.1233 -0.0211 0.322 Uiso 0.50 1 calc PR . .
O9 O 0.2465(8) -0.0612(9) 0.0116(5) 0.236(10) Uani 0.50 1 d P . .
C50 C 0.1468(7) -0.0443(6) -0.0368(5) 0.091(4) Uani 0.50 1 d P . .
H50A H 0.1248 -0.0274 -0.0113 0.109 Uiso 0.50 1 calc PR . .
H50B H 0.1152 -0.0349 -0.0704 0.109 Uiso 0.50 1 calc PR . .
C51 C 0.1441(7) -0.0918(7) -0.0310(6) 0.130(6) Uani 0.50 1 d P . .
H51A H 0.1335 -0.1088 -0.0639 0.157 Uiso 0.50 1 calc PR . .
H51B H 0.1024 -0.1007 -0.0140 0.157 Uiso 0.50 1 calc PR . .
C52 C 0.2262(10) -0.0297(5) -0.0316(6) 0.114(5) Uani 0.50 1 d P . .
C61 C 0.5607(11) 0.0090(12) 0.0284(10) 0.230(13) Uani 0.50 1 d P . .
C55 C 0.5072(13) 0.0308(7) -0.0255(7) 0.148(8) Uani 0.50 1 d P . .
C62 C -0.207(3) 0.247(2) -0.026(2) 0.35(2) Uani 0.50 1 d PU . .
C54 C -0.143(2) 0.2425(8) 0.0290(9) 0.179(10) Uani 0.50 1 d P . .
O10 O -0.0954(7) 0.2386(5) -0.0120(5) 0.287(6) Uani 1 1 d U . .
C58 C -0.1815(16) 0.2848(9) 0.0082(12) 0.180(9) Uani 0.50 1 d PU . .
C62' C -0.0540(9) 0.2816(5) -0.0775(5) 0.113(5) Uani 0.50 1 d P . .
C53' C -0.0287(9) 0.2499(5) -0.0322(4) 0.099(5) Uani 0.50 1 d P . .
C70 C -0.1395(8) 0.3007(5) -0.0319(5) 0.182(4) Uani 1 1 d U . .
C53 C -0.1048(10) 0.3153(5) -0.0625(8) 0.129(7) Uani 0.50 1 d P . .
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
O3 Li1 O2 129.1(4) . .
O3 Li1 O1 131.0(3) . .
O2 Li1 O1 98.1(3) . .
O3 Li1 N1 87.9(2) . .
O2 Li1 N1 98.7(3) . .
O1 Li1 N1 97.9(3) . .
O3 Li1 Li2 171.0(3) . .
O2 Li1 Li2 49.4(2) . .
O1 Li1 Li2 48.8(2) . .
N1 Li1 Li2 101.1(3) . .
O3 Li1 C1 104.1(3) . .
O2 Li1 C1 126.7(3) . .
O1 Li1 C1 30.29(14) . .
N1 Li1 C1 83.5(2) . .
Li2 Li1 C1 77.8(2) . .
O3 Li1 C14 103.7(3) . .
O2 Li1 C14 29.44(13) . .
O1 Li1 C14 125.3(3) . .
N1 Li1 C14 83.4(2) . .
Li2 Li1 C14 77.1(2) . .
C1 Li1 C14 148.7(3) . .
O3 Li1 C16 25.55(12) . .
O2 Li1 C16 128.1(3) . .
O1 Li1 C16 130.5(3) . .
N1 Li1 C16 62.34(17) . .
Li2 Li1 C16 163.4(3) . .
C1 Li1 C16 100.2(2) . .
C14 Li1 C16 98.7(2) . .
O1 Li2 O2 100.7(3) . .
O1 Li2 O6 122.1(4) . .
O2 Li2 O6 110.6(3) . .
O1 Li2 O5 113.0(3) . .
O2 Li2 O5 112.6(3) . .
O6 Li2 O5 98.3(3) . .
O1 Li2 Li1 50.6(2) . .
O2 Li2 Li1 50.1(2) . .
O6 Li2 Li1 132.1(3) . .
O5 Li2 Li1 129.1(3) . .
O4 Li3 O4 90.2(3) . 2
O4 Li3 O8 115.0(4) . .
O4 Li3 O8 113.7(4) 2 .
O4 Li3 O7 116.1(4) . .
O4 Li3 O7 112.8(4) 2 .
O8 Li3 O7 108.2(3) . .
O4 Li3 C41' 97.8(5) . .
O4 Li3 C41' 101.0(6) 2 .
O8 Li3 C41' 130.9(5) . .
O7 Li3 C41' 23.0(4) . .
O4 Li3 Li3 45.3(2) . 2
O4 Li3 Li3 44.9(2) 2 2
O8 Li3 Li3 125.3(2) . 2
O7 Li3 Li3 126.3(2) . 2
C41' Li3 Li3 103.8(4) . 2
O4 Li3 C16 113.5(3) . 2
O4 Li3 C16 23.29(13) 2 2
O8 Li3 C16 102.1(3) . 2
O7 Li3 C16 100.0(3) . 2
C41' Li3 C16 96.4(6) . 2
Li3 Li3 C16 68.2(3) 2 2
C1 O1 Li2 160.2(3) . .
C1 O1 Li1 103.0(3) . .
Li2 O1 Li1 80.6(3) . .
C14 O2 Li2 156.5(3) . .
C14 O2 Li1 105.5(3) . .
Li2 O2 Li1 80.5(3) . .
C16 O3 Li1 113.4(3) . .
C16 O4 Li3 150.1(3) . .
C16 O4 Li3 120.1(3) . 2
Li3 O4 Li3 89.8(3) . 2
C33 O5 C36' 99.6(5) . .
C33 O5 C36 110.6(4) . .
C36' O5 C36 59.3(6) . .
C33 O5 Li2 126.2(3) . .
C36' O5 Li2 125.3(5) . .
C36 O5 Li2 117.0(4) . .
C37 O6 C40 105.6(4) . .
C37 O6 Li2 133.4(4) . .
C40 O6 Li2 119.7(4) . .
C41' O7 C44 118.5(9) . .
C41' O7 C41 37.0(14) . .
C44 O7 C41 97.4(6) . .
C41' O7 Li3 115.7(9) . .
C44 O7 Li3 123.7(4) . .
C41 O7 Li3 117.7(6) . .
C48 O8 C48' 34.2(9) . .
C48 O8 C45 111.5(8) . .
C48' O8 C45 84.1(10) . .
C48 O8 C45' 97.4(7) . .
C48' O8 C45' 101.5(10) . .
C45 O8 C45' 59.7(8) . .
C48 O8 Li3 125.7(6) . .
C48' O8 Li3 139.5(9) . .
C45 O8 Li3 121.4(6) . .
C45' O8 Li3 118.3(5) . .
C15 N1 C7 113.1(3) . .
C15 N1 C8 113.5(3) . .
C7 N1 C8 112.2(2) . .
C15 N1 Li1 104.3(2) . .
C7 N1 Li1 106.7(3) . .
C8 N1 Li1 106.2(3) . .
O1 C1 C2 122.5(3) . .
O1 C1 C6 119.4(3) . .
C2 C1 C6 118.1(3) . .
O1 C1 Li1 46.70(19) . .
C2 C1 Li1 132.0(3) . .
C6 C1 Li1 90.9(2) . .
C3 C2 C1 118.5(3) . .
C3 C2 C17 121.0(3) . .
C1 C2 C17 120.4(3) . .
C2 C3 C4 124.4(4) . .
C2 C3 H3A 117.8 . .
C4 C3 H3A 117.8 . .
C5 C4 C3 116.3(4) . .
C5 C4 C21 122.2(4) . .
C3 C4 C21 121.5(4) . .
C6 C5 C4 122.3(3) . .
C6 C5 H5A 118.9 . .
C4 C5 H5A 118.9 . .
C5 C6 C1 120.5(3) . .
C5 C6 C7 120.9(3) . .
C1 C6 C7 118.7(3) . .
N1 C7 C6 112.4(3) . .
N1 C7 H7A 109.1 . .
C6 C7 H7A 109.1 . .
N1 C7 H7B 109.1 . .
C6 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
N1 C8 C9 113.2(3) . .
N1 C8 H8A 108.9 . .
C9 C8 H8A 108.9 . .
N1 C8 H8B 108.9 . .
C9 C8 H8B 108.9 . .
H8A C8 H8B 107.8 . .
C10 C9 C14 120.7(3) . .
C10 C9 C8 120.7(3) . .
C14 C9 C8 118.6(3) . .
C9 C10 C11 122.4(3) . .
C9 C10 H10A 118.8 . .
C11 C10 H10A 118.8 . .
C12 C11 C10 116.2(3) . .
C12 C11 C25 120.6(3) . .
C10 C11 C25 123.0(3) . .
C11 C12 C13 124.2(3) . .
C11 C12 H12A 117.9 . .
C13 C12 H12A 117.9 . .
C12 C13 C14 118.9(3) . .
C12 C13 C29 121.2(3) . .
C14 C13 C29 119.9(3) . .
O2 C14 C13 122.9(3) . .
O2 C14 C9 119.5(3) . .
C13 C14 C9 117.6(3) . .
O2 C14 Li1 45.10(19) . .
C13 C14 Li1 134.3(3) . .
C9 C14 Li1 91.0(2) . .
N1 C15 C16 114.2(3) . .
N1 C15 H15A 108.7 . .
C16 C15 H15A 108.7 . .
N1 C15 H15B 108.7 . .
C16 C15 H15B 108.7 . .
H15A C15 H15B 107.6 . .
O3 C16 O4 124.0(3) . .
O3 C16 C15 120.3(3) . .
O4 C16 C15 115.8(3) . .
O3 C16 Li1 41.10(19) . .
O4 C16 Li1 165.0(3) . .
C15 C16 Li1 79.2(2) . .
O3 C16 Li3 87.3(2) . 2
O4 C16 Li3 36.6(2) . 2
C15 C16 Li3 152.4(3) . 2
Li1 C16 Li3 128.4(2) . 2
C18 C17 C2 109.9(3) . .
C18 C17 C19 107.6(4) . .
C2 C17 C19 112.7(3) . .
C18 C17 C20 109.8(3) . .
C2 C17 C20 110.0(3) . .
C19 C17 C20 106.8(3) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C22' C21 C23 60.7(10) . .
C22' C21 C24 123.0(9) . .
C23 C21 C24 122.3(8) . .
C22' C21 C4 114.4(8) . .
C23 C21 C4 114.6(7) . .
C24 C21 C4 112.6(4) . .
C22' C21 C23' 100.4(10) . .
C23 C21 C23' 40.6(8) . .
C24 C21 C23' 95.2(6) . .
C4 C21 C23' 106.6(5) . .
C22' C21 C22 39.8(9) . .
C23 C21 C22 100.2(8) . .
C24 C21 C22 99.0(5) . .
C4 C21 C22 103.7(5) . .
C23' C21 C22 138.2(6) . .
C21 C22 H22A 109.5 . .
C21 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C21 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C21 C23 H23A 109.5 . .
C21 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C21 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C21 C22' H22D 109.5 . .
C21 C22' H22E 109.5 . .
H22D C22' H22E 109.5 . .
C21 C22' H22F 109.5 . .
H22D C22' H22F 109.5 . .
H22E C22' H22F 109.5 . .
C21 C23' H23D 109.5 . .
C21 C23' H23E 109.5 . .
H23D C23' H23E 109.5 . .
C21 C23' H23F 109.5 . .
H23D C23' H23F 109.5 . .
H23E C23' H23F 109.5 . .
C21 C24 H24A 109.5 . .
C21 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C21 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C27 C25 C28 108.9(4) . .
C27 C25 C26 108.2(4) . .
C28 C25 C26 107.6(4) . .
C27 C25 C11 111.8(3) . .
C28 C25 C11 111.7(3) . .
C26 C25 C11 108.6(3) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C32 107.7(3) . .
C30 C29 C13 112.2(3) . .
C32 C29 C13 109.6(3) . .
C30 C29 C31 107.3(3) . .
C32 C29 C31 110.1(3) . .
C13 C29 C31 109.7(3) . .
C29 C30 H30A 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C29 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C29 C31 H31A 109.5 . .
C29 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C29 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C29 C32 H32A 109.5 . .
C29 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C29 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
O5 C33 C34 107.1(4) . .
O5 C33 H33A 110.3 . .
C34 C33 H33A 110.3 . .
O5 C33 H33B 110.3 . .
C34 C33 H33B 110.3 . .
H33A C33 H33B 108.5 . .
C35' C34 C35 74.7(9) . .
C35' C34 C33 102.8(7) . .
C35 C34 C33 101.6(5) . .
C34 C35 C36 106.5(8) . .
C34 C35 H35A 110.4 . .
C36 C35 H35A 110.4 . .
C34 C35 H35B 110.4 . .
C36 C35 H35B 110.4 . .
H35A C35 H35B 108.6 . .
O5 C36 C35 102.6(7) . .
O5 C36 H36A 111.3 . .
C35 C36 H36A 111.3 . .
O5 C36 H36B 111.3 . .
C35 C36 H36B 111.3 . .
H36A C36 H36B 109.2 . .
C34 C35' C36' 106.2(9) . .
C34 C35' H35C 110.5 . .
C36' C35' H35C 110.5 . .
C34 C35' H35D 110.5 . .
C36' C35' H35D 110.5 . .
H35C C35' H35D 108.7 . .
O5 C36' C35' 107.1(8) . .
O5 C36' H36C 110.3 . .
C35' C36' H36C 110.3 . .
O5 C36' H36D 110.3 . .
C35' C36' H36D 110.3 . .
H36C C36' H36D 108.5 . .
O6 C37 C38 105.6(5) . .
O6 C37 H37A 110.6 . .
C38 C37 H37A 110.6 . .
O6 C37 H37B 110.6 . .
C38 C37 H37B 110.6 . .
H37A C37 H37B 108.7 . .
C39 C38 C37 106.6(5) . .
C39 C38 H38A 110.4 . .
C37 C38 H38A 110.4 . .
C39 C38 H38B 110.4 . .
C37 C38 H38B 110.4 . .
H38A C38 H38B 108.6 . .
C40 C39 C38 104.1(5) . .
C40 C39 H39A 110.9 . .
C38 C39 H39A 110.9 . .
C40 C39 H39B 110.9 . .
C38 C39 H39B 110.9 . .
H39A C39 H39B 108.9 . .
O6 C40 C39 106.7(4) . .
O6 C40 H40A 110.4 . .
C39 C40 H40A 110.4 . .
O6 C40 H40B 110.4 . .
C39 C40 H40B 110.4 . .
H40A C40 H40B 108.6 . .
C42 C41 O7 104.6(9) . .
C42 C41 H41A 110.8 . .
O7 C41 H41A 110.8 . .
C42 C41 H41B 110.8 . .
O7 C41 H41B 110.8 . .
H41A C41 H41B 108.9 . .
O7 C41' C42 105.4(12) . .
O7 C41' Li3 41.3(7) . .
C42 C41' Li3 139.8(12) . .
O7 C41' H41C 110.7 . .
C42 C41' H41C 110.7 . .
Li3 C41' H41C 75.3 . .
O7 C41' H41D 110.7 . .
C42 C41' H41D 110.7 . .
Li3 C41' H41D 104.0 . .
H41C C41' H41D 108.8 . .
C41 C42 C43 107.4(8) . .
C41 C42 C41' 33.1(10) . .
C43 C42 C41' 94.3(8) . .
C41 C42 H42A 113.3 . .
C43 C42 H42A 132.9 . .
C41' C42 H42A 132.9 . .
C42 C43 C44 105.6(5) . .
C42 C43 H43A 110.6 . .
C44 C43 H43A 110.6 . .
C42 C43 H43B 110.6 . .
C44 C43 H43B 110.6 . .
H43A C43 H43B 108.7 . .
O7 C44 C43 104.5(5) . .
O7 C44 H44A 110.9 . .
C43 C44 H44A 110.9 . .
O7 C44 H44B 110.9 . .
C43 C44 H44B 110.9 . .
H44A C44 H44B 108.9 . .
O8 C45 C46 97.6(10) . .
O8 C45 H45A 112.2 . .
C46 C45 H45A 112.2 . .
O8 C45 H45B 112.2 . .
C46 C45 H45B 112.2 . .
H45A C45 H45B 109.8 . .
C47 C46 C45 106.9(14) . .
C47 C46 H46A 110.3 . .
C45 C46 H46A 110.3 . .
C47 C46 H46B 110.3 . .
C45 C46 H46B 110.3 . .
H46A C46 H46B 108.6 . .
C46 C47 C48 99.3(10) . .
C46 C47 H47A 111.9 . .
C48 C47 H47A 111.9 . .
C46 C47 H47B 111.9 . .
C48 C47 H47B 111.9 . .
H47A C47 H47B 109.6 . .
O8 C48 C47 108.0(8) . .
O8 C48 H48A 110.1 . .
C47 C48 H48A 110.1 . .
O8 C48 H48B 110.1 . .
C47 C48 H48B 110.1 . .
H48A C48 H48B 108.4 . .
C46' C45' O8 106.2(11) . .
C46' C45' H45C 110.5 . .
O8 C45' H45C 110.5 . .
C46' C45' H45D 110.5 . .
O8 C45' H45D 110.5 . .
H45C C45' H45D 108.7 . .
C47' C46' C45' 104.0(19) . .
C47' C46' H46C 111.0 . .
C45' C46' H46C 111.0 . .
C47' C46' H46D 111.0 . .
C45' C46' H46D 111.0 . .
H46C C46' H46D 109.0 . .
C48' C47' C46' 106.9(19) . .
C48' C47' H47C 110.3 . .
C46' C47' H47C 110.3 . .
C48' C47' H47D 110.3 . .
C46' C47' H47D 110.3 . .
H47C C47' H47D 108.6 . .
O8 C48' C47' 114(2) . .
O8 C48' H48C 108.8 . .
C47' C48' H48C 108.8 . .
O8 C48' H48D 108.8 . .
C47' C48' H48D 108.8 . .
H48C C48' H48D 107.6 . .
O9 C49 C51 99.1(16) . .
O9 C49 H49A 112.0 . .
C51 C49 H49A 112.0 . .
O9 C49 H49B 112.0 . .
C51 C49 H49B 112.0 . .
H49A C49 H49B 109.6 . .
C49 O9 C52 108.2(15) . .
C51 C50 C52 109.1(12) . .
C51 C50 H50A 109.9 . .
C52 C50 H50A 109.9 . .
C51 C50 H50B 109.9 . .
C52 C50 H50B 109.9 . .
H50A C50 H50B 108.3 . .
C50 C51 C49 105.8(14) . .
C50 C51 H51A 110.6 . .
C49 C51 H51A 110.6 . .
C50 C51 H51B 110.6 . .
C49 C51 H51B 110.6 . .
H51A C51 H51B 108.7 . .
C50 C52 O9 87.7(12) . .
C55 C61 C55 86.6(14) 5_655 .
C61 C55 C61 93.4(14) 5_655 .
C58 C62 C54 53(2) . .
C58 C62 C70 52(2) . .
C54 C62 C70 80(2) . .
C58 C62 O10 78(2) . .
C54 C62 O10 51.3(17) . .
C70 C62 O10 58.7(13) . .
C58 C54 O10 92.8(18) . .
C58 C54 C62 54(2) . .
O10 C54 C62 72.8(18) . .
C53' O10 C54 152.9(15) . .
C53' O10 C70 91.0(13) . .
C54 O10 C70 83.8(10) . .
C53' O10 C62 141(2) . .
C54 O10 C62 55.8(16) . .
C70 O10 C62 60.6(18) . .
C54 C58 C62 73(3) . .
C54 C58 C70 105(2) . .
C62 C58 C70 81(3) . .
C53 C62' C53' 102.3(14) . .
O10 C53' C62' 109.6(14) . .
C53 C70 C58 177.0(19) . .
C53 C70 O10 104.5(14) . .
C58 C70 O10 77.0(13) . .
C53 C70 C62 137(2) . .
C58 C70 C62 46.5(16) . .
O10 C70 C62 60.7(18) . .
C70 C53 C62' 116.9(15) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O3 1.900(6) .
Li1 O2 1.908(6) .
Li1 O1 1.920(6) .
Li1 N1 2.051(6) .
Li1 Li2 2.451(8) .
Li1 C1 2.571(7) .
Li1 C14 2.596(7) .
Li1 C16 2.653(6) .
Li2 O1 1.869(7) .
Li2 O2 1.887(7) .
Li2 O6 1.971(6) .
Li2 O5 2.001(6) .
Li3 O4 1.908(6) .
Li3 O4 1.921(7) 2
Li3 O8 1.939(8) .
Li3 O7 1.961(9) .
Li3 C41' 2.68(2) .
Li3 Li3 2.703(13) 2
Li3 C16 2.785(7) 2
O1 C1 1.331(4) .
O2 C14 1.324(4) .
O3 C16 1.246(4) .
O4 C16 1.273(4) .
O4 Li3 1.921(7) 2
O5 C33 1.426(5) .
O5 C36' 1.459(10) .
O5 C36 1.471(9) .
O6 C37 1.415(6) .
O6 C40 1.429(6) .
O7 C41' 1.161(18) .
O7 C44 1.424(5) .
O7 C41 1.632(13) .
O8 C48 1.329(11) .
O8 C48' 1.34(2) .
O8 C45 1.385(11) .
O8 C45' 1.583(9) .
N1 C15 1.458(4) .
N1 C7 1.476(4) .
N1 C8 1.480(4) .
C1 C2 1.417(5) .
C1 C6 1.424(5) .
C2 C3 1.384(5) .
C2 C17 1.529(5) .
C3 C4 1.393(5) .
C3 H3A 0.9300 .
C4 C5 1.392(5) .
C4 C21 1.533(6) .
C5 C6 1.384(5) .
C5 H5A 0.9300 .
C6 C7 1.499(5) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C8 C9 1.500(5) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C9 C10 1.380(5) .
C9 C14 1.426(4) .
C10 C11 1.399(5) .
C10 H10A 0.9300 .
C11 C12 1.389(5) .
C11 C25 1.534(5) .
C12 C13 1.391(5) .
C12 H12A 0.9300 .
C13 C14 1.418(5) .
C13 C29 1.539(5) .
C15 C16 1.506(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 Li3 2.785(7) 2
C17 C18 1.524(6) .
C17 C19 1.533(5) .
C17 C20 1.533(5) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C21 C22' 1.354(15) .
C21 C23 1.433(15) .
C21 C24 1.488(7) .
C21 C23' 1.699(11) .
C21 C22 1.733(11) .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C22' H22D 0.9600 .
C22' H22E 0.9600 .
C22' H22F 0.9600 .
C23' H23D 0.9600 .
C23' H23E 0.9600 .
C23' H23F 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C27 1.521(6) .
C25 C28 1.532(6) .
C25 C26 1.533(6) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 C30 1.529(5) .
C29 C32 1.533(5) .
C29 C31 1.541(5) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.500(6) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35' 1.326(14) .
C34 C35 1.497(13) .
C35 C36 1.563(11) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C35' C36' 1.547(15) .
C35' H35C 0.9700 .
C35' H35D 0.9700 .
C36' H36C 0.9700 .
C36' H36D 0.9700 .
C37 C38 1.483(7) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 C39 1.482(8) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.474(7) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C41 C42 1.378(15) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C41' C42 1.801(17) .
C41' H41C 0.9700 .
C41' H41D 0.9700 .
C42 C43 1.471(9) .
C42 H42A 0.9300 .
C43 C44 1.522(9) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
C45 C46 1.53(2) .
C45 H45A 0.9700 .
C45 H45B 0.9700 .
C46 C47 1.48(2) .
C46 H46A 0.9700 .
C46 H46B 0.9700 .
C47 C48 1.533(14) .
C47 H47A 0.9700 .
C47 H47B 0.9700 .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C45' C46' 1.47(2) .
C45' H45C 0.9700 .
C45' H45D 0.9700 .
C46' C47' 1.43(4) .
C46' H46C 0.9700 .
C46' H46D 0.9700 .
C47' C48' 1.38(4) .
C47' H47C 0.9700 .
C47' H47D 0.9700 .
C48' H48C 0.9700 .
C48' H48D 0.9700 .
C49 O9 1.28(2) .
C49 C51 1.38(2) .
C49 H49A 0.9700 .
C49 H49B 0.9700 .
O9 C52 1.41(2) .
C50 C51 1.273(17) .
C50 C52 1.395(17) .
C50 H50A 0.9700 .
C50 H50B 0.9700 .
C51 H51A 0.9700 .
C51 H51B 0.9700 .
C61 C55 1.56(3) 5_655
C61 C55 1.63(2) .
C55 C61 1.56(3) 5_655
C62 C58 1.37(4) .
C62 C54 1.63(5) .
C62 C70 1.88(5) .
C62 O10 1.88(4) .
C54 C58 1.35(3) .
C54 O10 1.54(2) .
O10 C53' 1.415(16) .
O10 C70 1.840(15) .
C58 C70 1.50(3) .
C62' C53 1.377(18) .
C62' C53' 1.460(17) .
C70 C53 1.194(16) .
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
O3 Li1 Li2 O1 93(2) . .
O2 Li1 Li2 O1 177.1(3) . .
N1 Li1 Li2 O1 -90.8(3) . .
C1 Li1 Li2 O1 -10.09(15) . .
C14 Li1 Li2 O1 -171.4(3) . .
C16 Li1 Li2 O1 -94.7(11) . .
O3 Li1 Li2 O2 -84(2) . .
O1 Li1 Li2 O2 -177.1(3) . .
N1 Li1 Li2 O2 92.0(3) . .
C1 Li1 Li2 O2 172.8(3) . .
C14 Li1 Li2 O2 11.51(15) . .
C16 Li1 Li2 O2 88.2(11) . .
O3 Li1 Li2 O6 -166(2) . .
O2 Li1 Li2 O6 -82.2(5) . .
O1 Li1 Li2 O6 100.7(5) . .
N1 Li1 Li2 O6 9.9(6) . .
C1 Li1 Li2 O6 90.6(5) . .
C14 Li1 Li2 O6 -70.7(5) . .
C16 Li1 Li2 O6 6.0(15) . .
O3 Li1 Li2 O5 4(3) . .
O2 Li1 Li2 O5 88.0(4) . .
O1 Li1 Li2 O5 -89.1(4) . .
N1 Li1 Li2 O5 -179.9(4) . .
C1 Li1 Li2 O5 -99.2(4) . .
C14 Li1 Li2 O5 99.6(4) . .
C16 Li1 Li2 O5 176.3(9) . .
O2 Li2 O1 C1 104.5(8) . .
O6 Li2 O1 C1 -18.3(11) . .
O5 Li2 O1 C1 -135.2(7) . .
Li1 Li2 O1 C1 102.3(8) . .
O2 Li2 O1 Li1 2.3(3) . .
O6 Li2 O1 Li1 -120.6(4) . .
O5 Li2 O1 Li1 122.5(4) . .
O3 Li1 O1 C1 31.8(5) . .
O2 Li1 O1 C1 -162.4(2) . .
N1 Li1 O1 C1 -62.3(3) . .
Li2 Li1 O1 C1 -160.2(3) . .
C14 Li1 O1 C1 -149.8(3) . .
C16 Li1 O1 C1 -2.2(4) . .
O3 Li1 O1 Li2 -168.1(4) . .
O2 Li1 O1 Li2 -2.2(3) . .
N1 Li1 O1 Li2 97.8(3) . .
C1 Li1 O1 Li2 160.2(3) . .
C14 Li1 O1 Li2 10.3(3) . .
C16 Li1 O1 Li2 158.0(4) . .
O1 Li2 O2 C14 -109.2(7) . .
O6 Li2 O2 C14 21.3(9) . .
O5 Li2 O2 C14 130.2(6) . .
Li1 Li2 O2 C14 -106.9(7) . .
O1 Li2 O2 Li1 -2.3(3) . .
O6 Li2 O2 Li1 128.2(3) . .
O5 Li2 O2 Li1 -122.8(3) . .
O3 Li1 O2 C14 -34.8(4) . .
O1 Li1 O2 C14 158.9(2) . .
N1 Li1 O2 C14 59.5(3) . .
Li2 Li1 O2 C14 156.7(3) . .
C1 Li1 O2 C14 147.9(3) . .
C16 Li1 O2 C14 -2.0(4) . .
O3 Li1 O2 Li2 168.5(4) . .
O1 Li1 O2 Li2 2.2(3) . .
N1 Li1 O2 Li2 -97.2(3) . .
C1 Li1 O2 Li2 -8.8(3) . .
C14 Li1 O2 Li2 -156.7(3) . .
C16 Li1 O2 Li2 -158.7(4) . .
O2 Li1 O3 C16 98.2(4) . .
O1 Li1 O3 C16 -100.0(4) . .
N1 Li1 O3 C16 -1.3(4) . .
Li2 Li1 O3 C16 175(2) . .
C1 Li1 O3 C16 -84.1(3) . .
C14 Li1 O3 C16 81.4(3) . .
O4 Li3 O4 C16 177.9(5) 2 .
O8 Li3 O4 C16 -65.6(9) . .
O7 Li3 O4 C16 62.2(9) . .
C41' Li3 O4 C16 76.8(9) . .
Li3 Li3 O4 C16 178.5(9) 2 .
C16 Li3 O4 C16 177.3(6) 2 .
O4 Li3 O4 Li3 -0.6(5) 2 2
O8 Li3 O4 Li3 115.9(3) . 2
O7 Li3 O4 Li3 -116.3(3) . 2
C41' Li3 O4 Li3 -101.7(6) . 2
C16 Li3 O4 Li3 -1.3(6) 2 2
O1 Li2 O5 C33 -59.5(5) . .
O2 Li2 O5 C33 53.8(5) . .
O6 Li2 O5 C33 170.3(4) . .
Li1 Li2 O5 C33 -2.4(7) . .
O1 Li2 O5 C36' 160.1(7) . .
O2 Li2 O5 C36' -86.6(7) . .
O6 Li2 O5 C36' 29.9(8) . .
Li1 Li2 O5 C36' -142.8(7) . .
O1 Li2 O5 C36 90.0(6) . .
O2 Li2 O5 C36 -156.7(5) . .
O6 Li2 O5 C36 -40.2(6) . .
Li1 Li2 O5 C36 147.1(6) . .
O1 Li2 O6 C37 -16.2(7) . .
O2 Li2 O6 C37 -134.3(5) . .
O5 Li2 O6 C37 107.7(5) . .
Li1 Li2 O6 C37 -80.0(7) . .
O1 Li2 O6 C40 149.1(4) . .
O2 Li2 O6 C40 30.9(5) . .
O5 Li2 O6 C40 -87.0(4) . .
Li1 Li2 O6 C40 85.3(6) . .
O4 Li3 O7 C41' 39.8(16) . .
O4 Li3 O7 C41' -62.4(15) 2 .
O8 Li3 O7 C41' 170.9(15) . .
Li3 Li3 O7 C41' -12.5(16) 2 .
C16 Li3 O7 C41' -82.7(15) 2 .
O4 Li3 O7 C44 -157.1(5) . .
O4 Li3 O7 C44 100.8(5) 2 .
O8 Li3 O7 C44 -26.0(6) . .
C41' Li3 O7 C44 163.1(17) . .
Li3 Li3 O7 C44 150.6(5) 2 .
C16 Li3 O7 C44 80.4(5) 2 .
O4 Li3 O7 C41 81.3(7) . .
O4 Li3 O7 C41 -20.8(7) 2 .
O8 Li3 O7 C41 -147.6(7) . .
C41' Li3 O7 C41 41.5(16) . .
Li3 Li3 O7 C41 29.1(9) 2 .
C16 Li3 O7 C41 -41.2(7) 2 .
O4 Li3 O8 C48 10.4(11) . .
O4 Li3 O8 C48 112.6(10) 2 .
O7 Li3 O8 C48 -121.2(10) . .
C41' Li3 O8 C48 -116.5(13) . .
Li3 Li3 O8 C48 62.1(12) 2 .
C16 Li3 O8 C48 133.8(10) 2 .
O4 Li3 O8 C48' 53.8(14) . .
O4 Li3 O8 C48' 155.9(13) 2 .
O7 Li3 O8 C48' -77.9(14) . .
C41' Li3 O8 C48' -73.2(16) . .
Li3 Li3 O8 C48' 105.4(14) 2 .
C16 Li3 O8 C48' 177.2(13) 2 .
O4 Li3 O8 C45 175.8(9) . .
O4 Li3 O8 C45 -82.1(10) 2 .
O7 Li3 O8 C45 44.2(10) . .
C41' Li3 O8 C45 48.9(12) . .
Li3 Li3 O8 C45 -132.5(10) 2 .
C16 Li3 O8 C45 -60.8(9) 2 .
O4 Li3 O8 C45' -114.2(7) . .
O4 Li3 O8 C45' -12.1(8) 2 .
O7 Li3 O8 C45' 114.1(7) . .
C41' Li3 O8 C45' 118.8(10) . .
Li3 Li3 O8 C45' -62.5(8) 2 .
C16 Li3 O8 C45' 9.2(7) 2 .
O3 Li1 N1 C15 0.3(3) . .
O2 Li1 N1 C15 -129.0(3) . .
O1 Li1 N1 C15 131.4(3) . .
Li2 Li1 N1 C15 -179.1(3) . .
C1 Li1 N1 C15 104.7(2) . .
C14 Li1 N1 C15 -103.8(2) . .
C16 Li1 N1 C15 -0.4(2) . .
O3 Li1 N1 C7 -119.7(3) . .
O2 Li1 N1 C7 111.0(3) . .
O1 Li1 N1 C7 11.5(3) . .
Li2 Li1 N1 C7 60.9(3) . .
C1 Li1 N1 C7 -15.2(3) . .
C14 Li1 N1 C7 136.3(2) . .
C16 Li1 N1 C7 -120.3(2) . .
O3 Li1 N1 C8 120.4(3) . .
O2 Li1 N1 C8 -8.9(3) . .
O1 Li1 N1 C8 -108.4(3) . .
Li2 Li1 N1 C8 -59.0(3) . .
C1 Li1 N1 C8 -135.1(2) . .
C14 Li1 N1 C8 16.4(2) . .
C16 Li1 N1 C8 119.8(2) . .
Li2 O1 C1 C2 142.3(8) . .
Li1 O1 C1 C2 -119.3(3) . .
Li2 O1 C1 C6 -38.7(10) . .
Li1 O1 C1 C6 59.7(4) . .
Li2 O1 C1 Li1 -98.4(9) . .
O3 Li1 C1 O1 -155.8(4) . .
O2 Li1 C1 O1 22.0(3) . .
N1 Li1 C1 O1 118.0(3) . .
Li2 Li1 C1 O1 15.1(2) . .
C14 Li1 C1 O1 52.2(5) . .
C16 Li1 C1 O1 178.3(3) . .
O3 Li1 C1 C2 -57.5(4) . .
O2 Li1 C1 C2 120.3(4) . .
O1 Li1 C1 C2 98.4(4) . .
N1 Li1 C1 C2 -143.6(3) . .
Li2 Li1 C1 C2 113.5(4) . .
C14 Li1 C1 C2 150.5(4) . .
C16 Li1 C1 C2 -83.3(4) . .
O3 Li1 C1 C6 73.0(3) . .
O2 Li1 C1 C6 -109.2(4) . .
O1 Li1 C1 C6 -131.2(3) . .
N1 Li1 C1 C6 -13.2(2) . .
Li2 Li1 C1 C6 -116.1(3) . .
C14 Li1 C1 C6 -79.0(5) . .
C16 Li1 C1 C6 47.1(3) . .
O1 C1 C2 C3 177.4(3) . .
C6 C1 C2 C3 -1.6(5) . .
Li1 C1 C2 C3 118.8(4) . .
O1 C1 C2 C17 -1.9(5) . .
C6 C1 C2 C17 179.1(3) . .
Li1 C1 C2 C17 -60.5(5) . .
C1 C2 C3 C4 1.3(6) . .
C17 C2 C3 C4 -179.4(4) . .
C2 C3 C4 C5 -0.7(7) . .
C2 C3 C4 C21 -178.2(4) . .
C3 C4 C5 C6 0.4(6) . .
C21 C4 C5 C6 177.9(4) . .
C4 C5 C6 C1 -0.8(6) . .
C4 C5 C6 C7 178.0(4) . .
O1 C1 C6 C5 -177.7(3) . .
C2 C1 C6 C5 1.4(5) . .
Li1 C1 C6 C5 -138.8(3) . .
O1 C1 C6 C7 3.5(5) . .
C2 C1 C6 C7 -177.4(3) . .
Li1 C1 C6 C7 42.4(3) . .
C15 N1 C7 C6 -70.9(3) . .
C8 N1 C7 C6 159.1(3) . .
Li1 N1 C7 C6 43.2(3) . .
C5 C6 C7 N1 114.2(4) . .
C1 C6 C7 N1 -67.0(4) . .
C15 N1 C8 C9 69.3(3) . .
C7 N1 C8 C9 -160.9(3) . .
Li1 N1 C8 C9 -44.7(3) . .
N1 C8 C9 C10 -114.5(3) . .
N1 C8 C9 C14 66.9(4) . .
C14 C9 C10 C11 0.4(5) . .
C8 C9 C10 C11 -178.1(3) . .
C9 C10 C11 C12 1.0(5) . .
C9 C10 C11 C25 -174.8(3) . .
C10 C11 C12 C13 -0.4(5) . .
C25 C11 C12 C13 175.5(3) . .
C11 C12 C13 C14 -1.6(6) . .
C11 C12 C13 C29 177.8(3) . .
Li2 O2 C14 C13 -136.1(6) . .
Li1 O2 C14 C13 122.0(3) . .
Li2 O2 C14 C9 44.3(8) . .
Li1 O2 C14 C9 -57.5(4) . .
Li2 O2 C14 Li1 101.8(7) . .
C12 C13 C14 O2 -176.7(3) . .
C29 C13 C14 O2 3.9(5) . .
C12 C13 C14 C9 2.9(5) . .
C29 C13 C14 C9 -176.6(3) . .
C12 C13 C14 Li1 -119.6(4) . .
C29 C13 C14 Li1 61.0(5) . .
C10 C9 C14 O2 177.2(3) . .
C8 C9 C14 O2 -4.2(5) . .
C10 C9 C14 C13 -2.3(5) . .
C8 C9 C14 C13 176.2(3) . .
C10 C9 C14 Li1 140.5(3) . .
C8 C9 C14 Li1 -40.9(3) . .
O3 Li1 C14 O2 152.9(4) . .
O1 Li1 C14 O2 -25.9(3) . .
N1 Li1 C14 O2 -120.9(3) . .
Li2 Li1 C14 O2 -18.0(2) . .
C1 Li1 C14 O2 -55.1(5) . .
C16 Li1 C14 O2 178.4(3) . .
O3 Li1 C14 C13 57.2(4) . .
O2 Li1 C14 C13 -95.6(4) . .
O1 Li1 C14 C13 -121.5(4) . .
N1 Li1 C14 C13 143.4(3) . .
Li2 Li1 C14 C13 -113.6(4) . .
C1 Li1 C14 C13 -150.7(4) . .
C16 Li1 C14 C13 82.8(4) . .
O3 Li1 C14 C9 -74.3(3) . .
O2 Li1 C14 C9 132.8(3) . .
O1 Li1 C14 C9 106.9(3) . .
N1 Li1 C14 C9 11.8(2) . .
Li2 Li1 C14 C9 114.8(3) . .
C1 Li1 C14 C9 77.7(5) . .
C16 Li1 C14 C9 -48.8(3) . .
C7 N1 C15 C16 116.2(3) . .
C8 N1 C15 C16 -114.5(3) . .
Li1 N1 C15 C16 0.6(4) . .
Li1 O3 C16 O4 -178.3(4) . .
Li1 O3 C16 C15 2.1(5) . .
Li1 O3 C16 Li3 -177.0(3) . 2
Li3 O4 C16 O3 -176.2(6) . .
Li3 O4 C16 O3 2.1(6) 2 .
Li3 O4 C16 C15 3.4(9) . .
Li3 O4 C16 C15 -178.3(4) 2 .
Li3 O4 C16 Li1 179(100) . .
Li3 O4 C16 Li1 -2.3(14) 2 .
Li3 O4 C16 Li3 -178.3(11) . 2
N1 C15 C16 O3 -1.9(5) . .
N1 C15 C16 O4 178.5(3) . .
N1 C15 C16 Li1 -0.5(3) . .
N1 C15 C16 Li3 176.2(5) . 2
O2 Li1 C16 O3 -102.7(5) . .
O1 Li1 C16 O3 102.6(5) . .
N1 Li1 C16 O3 178.5(4) . .
Li2 Li1 C16 O3 -177.3(13) . .
C1 Li1 C16 O3 101.4(4) . .
C14 Li1 C16 O3 -103.7(4) . .
O3 Li1 C16 O4 5.6(12) . .
O2 Li1 C16 O4 -97.1(12) . .
O1 Li1 C16 O4 108.1(12) . .
N1 Li1 C16 O4 -176.0(12) . .
Li2 Li1 C16 O4 -171.7(11) . .
C1 Li1 C16 O4 107.0(12) . .
C14 Li1 C16 O4 -98.1(12) . .
O3 Li1 C16 C15 -178.1(4) . .
O2 Li1 C16 C15 79.2(4) . .
O1 Li1 C16 C15 -75.6(4) . .
N1 Li1 C16 C15 0.4(2) . .
Li2 Li1 C16 C15 4.6(12) . .
C1 Li1 C16 C15 -76.7(3) . .
C14 Li1 C16 C15 78.2(3) . .
O3 Li1 C16 Li3 3.8(4) . 2
O2 Li1 C16 Li3 -98.9(4) . 2
O1 Li1 C16 Li3 106.3(4) . 2
N1 Li1 C16 Li3 -177.7(3) . 2
Li2 Li1 C16 Li3 -173.5(10) . 2
C1 Li1 C16 Li3 105.2(3) . 2
C14 Li1 C16 Li3 -99.9(3) . 2
C3 C2 C17 C18 -117.3(4) . .
C1 C2 C17 C18 62.0(5) . .
C3 C2 C17 C19 2.7(5) . .
C1 C2 C17 C19 -178.0(4) . .
C3 C2 C17 C20 121.8(4) . .
C1 C2 C17 C20 -58.9(5) . .
C5 C4 C21 C22' -62.6(12) . .
C3 C4 C21 C22' 114.7(11) . .
C5 C4 C21 C23 4.8(11) . .
C3 C4 C21 C23 -177.8(9) . .
C5 C4 C21 C24 150.6(5) . .
C3 C4 C21 C24 -32.0(7) . .
C5 C4 C21 C23' 47.4(8) . .
C3 C4 C21 C23' -135.2(6) . .
C5 C4 C21 C22 -103.4(5) . .
C3 C4 C21 C22 74.0(6) . .
C12 C11 C25 C27 165.7(4) . .
C10 C11 C25 C27 -18.8(6) . .
C12 C11 C25 C28 43.3(5) . .
C10 C11 C25 C28 -141.1(4) . .
C12 C11 C25 C26 -75.1(5) . .
C10 C11 C25 C26 100.4(4) . .
C12 C13 C29 C30 -1.3(5) . .
C14 C13 C29 C30 178.1(3) . .
C12 C13 C29 C32 -121.0(4) . .
C14 C13 C29 C32 58.4(4) . .
C12 C13 C29 C31 117.9(4) . .
C14 C13 C29 C31 -62.7(4) . .
C36' O5 C33 C34 -37.4(7) . .
C36 O5 C33 C34 23.3(7) . .
Li2 O5 C33 C34 174.4(4) . .
O5 C33 C34 C35' 43.0(10) . .
O5 C33 C34 C35 -33.6(7) . .
C35' C34 C35 C36 -68.9(9) . .
C33 C34 C35 C36 31.4(9) . .
C33 O5 C36 C35 -2.9(9) . .
C36' O5 C36 C35 86.1(9) . .
Li2 O5 C36 C35 -156.9(6) . .
C34 C35 C36 O5 -18.4(10) . .
C35 C34 C35' C36' 71.4(11) . .
C33 C34 C35' C36' -27.3(14) . .
C33 O5 C36' C35' 20.1(11) . .
C36 O5 C36' C35' -88.3(11) . .
Li2 O5 C36' C35' 168.6(8) . .
C34 C35' C36' O5 5.4(16) . .
C40 O6 C37 C38 -32.0(5) . .
Li2 O6 C37 C38 134.7(4) . .
O6 C37 C38 C39 18.2(6) . .
C37 C38 C39 C40 2.1(6) . .
C37 O6 C40 C39 34.0(6) . .
Li2 O6 C40 C39 -134.9(4) . .
C38 C39 C40 O6 -21.7(6) . .
C41' O7 C41 C42 -86(2) . .
C44 O7 C41 C42 42.8(10) . .
Li3 O7 C41 C42 177.2(7) . .
C44 O7 C41' C42 -12(2) . .
C41 O7 C41' C42 50.0(13) . .
Li3 O7 C41' C42 152.5(8) . .
C44 O7 C41' Li3 -164.1(15) . .
C41 O7 C41' Li3 -102.5(16) . .
O4 Li3 C41' O7 -144.6(14) . .
O4 Li3 C41' O7 123.7(14) 2 .
O8 Li3 C41' O7 -11.5(19) . .
Li3 Li3 C41' O7 169.7(13) 2 .
C16 Li3 C41' O7 100.6(14) 2 .
O4 Li3 C41' C42 171.9(18) . .
O4 Li3 C41' C42 80.2(19) 2 .
O8 Li3 C41' C42 -55(2) . .
O7 Li3 C41' C42 -43.6(12) . .
Li3 Li3 C41' C42 126.1(18) 2 .
C16 Li3 C41' C42 57.1(19) 2 .
O7 C41 C42 C43 -25.1(11) . .
O7 C41 C42 C41' 45.1(14) . .
O7 C41' C42 C41 -88(3) . .
Li3 C41' C42 C41 -60(2) . .
O7 C41' C42 C43 28.1(18) . .
Li3 C41' C42 C43 56.2(19) . .
C41 C42 C43 C44 -0.6(11) . .
C41' C42 C43 C44 -31.6(11) . .
C41' O7 C44 C43 -9.4(17) . .
C41 O7 C44 C43 -41.6(7) . .
Li3 O7 C44 C43 -172.1(5) . .
C42 C43 C44 O7 30.0(7) . .
C48 O8 C45 C46 -40.7(17) . .
C48' O8 C45 C46 -61.6(16) . .
C45' O8 C45 C46 45.3(13) . .
Li3 O8 C45 C46 152.0(13) . .
O8 C45 C46 C47 37(2) . .
C45 C46 C47 C48 -21(2) . .
C48' O8 C48 C47 69(2) . .
C45 O8 C48 C47 29.4(16) . .
C45' O8 C48 C47 -30.9(14) . .
Li3 O8 C48 C47 -163.9(8) . .
C46 C47 C48 O8 -3(2) . .
C48 O8 C45' C46' 36.6(18) . .
C48' O8 C45' C46' 2.1(18) . .
C45 O8 C45' C46' -74.0(16) . .
Li3 O8 C45' C46' 174.2(15) . .
O8 C45' C46' C47' 14(4) . .
C45' C46' C47' C48' -25(5) . .
C48 O8 C48' C47' -105(3) . .
C45 O8 C48' C47' 39(2) . .
C45' O8 C48' C47' -19(2) . .
Li3 O8 C48' C47' 171.9(18) . .
C46' C47' C48' O8 29(4) . .
C51 C49 O9 C52 -42(3) . .
C52 C50 C51 C49 25(3) . .
O9 C49 C51 C50 10(3) . .
C51 C50 C52 O9 -45.0(16) . .
C49 O9 C52 C50 53.5(19) . .
C55 C61 C55 C61 0.007(2) 5_655 5_655
C70 C62 C54 C58 49.2(19) . .
O10 C62 C54 C58 107(2) . .
C58 C62 C54 O10 -107(2) . .
C70 C62 C54 O10 -57.4(12) . .
C58 C54 O10 C53' 87(4) . .
C62 C54 O10 C53' 138(4) . .
C58 C54 O10 C70 7.5(19) . .
C62 C54 O10 C70 58(2) . .
C58 C54 O10 C62 -51(2) . .
C58 C62 O10 C53' -100(3) . .
C54 C62 O10 C53' -151(2) . .
C70 C62 O10 C53' -47(3) . .
C58 C62 O10 C54 51(2) . .
C70 C62 O10 C54 104(2) . .
C58 C62 O10 C70 -52(2) . .
C54 C62 O10 C70 -104(2) . .
O10 C54 C58 C62 66(2) . .
O10 C54 C58 C70 -9(2) . .
C62 C54 C58 C70 -76(3) . .
C70 C62 C58 C54 -109(2) . .
O10 C62 C58 C54 -49.8(17) . .
C54 C62 C58 C70 109(2) . .
O10 C62 C58 C70 59.1(16) . .
C54 O10 C53' C62' -112(3) . .
C70 O10 C53' C62' -33.6(11) . .
C62 O10 C53' C62' 6(3) . .
C53 C62' C53' O10 42.5(15) . .
C54 C58 C70 C53 -112(36) . .
C62 C58 C70 C53 179(100) . .
C54 C58 C70 O10 8(2) . .
C62 C58 C70 O10 -62(3) . .
C54 C58 C70 C62 70(3) . .
C53' O10 C70 C53 17.1(16) . .
C54 O10 C70 C53 170.4(18) . .
C62 O10 C70 C53 -136(2) . .
C53' O10 C70 C58 -160.2(14) . .
C54 O10 C70 C58 -6.9(18) . .
C62 O10 C70 C58 47(2) . .
C53' O10 C70 C62 153(2) . .
C54 O10 C70 C62 -54.0(18) . .
C58 C62 C70 C53 -180(3) . .
C54 C62 C70 C53 130(3) . .
O10 C62 C70 C53 80(3) . .
C54 C62 C70 C58 -50(2) . .
O10 C62 C70 C58 -100(3) . .
C58 C62 C70 O10 100(3) . .
C54 C62 C70 O10 50.4(17) . .
C58 C70 C53 C62' 127(36) . .
O10 C70 C53 C62' 8(2) . .
C62 C70 C53 C62' -55(4) . .
C53' C62' C53 C70 -29(2) . .
