# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 2113584'
loop_
_audit_author_name
_audit_author_address
'Dan Tian'
;Nanjing Forestry University
China
;
_audit_update_record             
;
2021-10-02 deposited with the CCDC.	2022-01-10 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C22 H22 Li4 N2 O10'
_chemical_formula_weight         502.17

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'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.8204(11)
_cell_length_b                   13.6719(11)
_cell_length_c                   13.672
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2396.4(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    5974
_cell_measurement_theta_min      3
_cell_measurement_theta_max      27.5

_exptl_crystal_description       bluk
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.392
_exptl_crystal_F_000             1040
_exptl_transmission_factor_min   0.975
_exptl_transmission_factor_max   0.981
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    0.107
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  bruker
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            23092
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_av_R_equivalents  0.0730
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.178
_diffrn_reflns_theta_max         28.418
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.996
_reflns_number_total             5974
_reflns_number_gt                5161
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.784
_reflns_Friedel_fraction_max     0.991
_reflns_Friedel_fraction_full    0.998

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
 Flack x determined using 1984 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   1.6(5)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         5974
_refine_ls_number_parameters     347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1072
_refine_ls_R_factor_gt           0.0978
_refine_ls_wR_factor_ref         0.3115
_refine_ls_wR_factor_gt          0.2936
_refine_ls_goodness_of_fit_ref   1.341
_refine_ls_restrained_S_all      1.341
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.7179(2) 1.1017(3) 0.0854(3) 0.0225(7) Uani 1 1 d . . . . .
O2 O 0.8465(2) 1.1955(2) 0.0270(2) 0.0138(6) Uani 1 1 d . . . . .
O4 O 0.9609(2) 0.8610(2) 0.4137(2) 0.0165(7) Uani 1 1 d . . . . .
O5 O 0.3084(2) 1.1716(2) 0.1772(2) 0.0175(7) Uani 1 1 d . . . . .
C5 C 1.0382(3) 0.9850(4) 0.2641(4) 0.0241(10) Uani 1 1 d . . . . .
H5 H 1.087416 0.956010 0.304811 0.029 Uiso 1 1 calc R U . . .
O7 O 0.3466(2) 0.8080(2) 0.4774(2) 0.0135(6) Uani 1 1 d . . . . .
O6 O 0.4601(2) 1.1528(2) 0.1015(2) 0.0163(7) Uani 1 1 d . . . . .
O3 O 0.8103(2) 0.8429(2) 0.3354(2) 0.0181(7) Uani 1 1 d . . . . .
O8 O 0.2180(2) 0.9065(3) 0.4274(3) 0.0212(7) Uani 1 1 d . . . . .
C10 C 0.3582(3) 1.0111(3) 0.3045(3) 0.0149(8) Uani 1 1 d . . . . .
H10 H 0.288187 1.028409 0.300830 0.018 Uiso 1 1 calc R U . . .
C11 C 0.8595(3) 1.0017(3) 0.2104(3) 0.0174(9) Uani 1 1 d . . . . .
H11 H 0.789953 0.982540 0.213070 0.021 Uiso 1 1 calc R U . . .
C12 C 0.8906(3) 1.0753(3) 0.1454(3) 0.0164(8) Uani 1 1 d . . . . .
C13 C 0.9954(3) 1.1008(4) 0.1385(3) 0.0203(9) Uani 1 1 d . . . . .
H13 H 1.016406 1.148570 0.094338 0.024 Uiso 1 1 calc R U . . .
C14 C 0.8111(3) 1.1278(3) 0.0819(3) 0.0146(8) Uani 1 1 d . . . . .
C15 C 0.4320(3) 1.0601(3) 0.2460(3) 0.0170(9) Uani 1 1 d . . . . .
C16 C 0.3983(3) 1.1347(3) 0.1703(3) 0.0138(8) Uani 1 1 d . . . . .
C17 C 0.9329(3) 0.9569(3) 0.2711(3) 0.0156(8) Uani 1 1 d . . . . .
C18 C 1.0689(4) 1.0547(4) 0.1979(4) 0.0292(12) Uani 1 1 d . . . . .
H18 H 1.139080 1.071171 0.192536 0.035 Uiso 1 1 calc R U . . .
C19 C 0.4959(4) 0.9139(4) 0.3760(4) 0.0259(11) Uani 1 1 d . . . . .
H19 H 0.516924 0.863376 0.417052 0.031 Uiso 1 1 calc R U . . .
C20 C 0.5371(4) 1.0371(4) 0.2563(4) 0.0269(11) Uani 1 1 d . . . . .
H20 H 0.586407 1.069417 0.218230 0.032 Uiso 1 1 calc R U . . .
C21 C 0.8991(3) 0.8813(3) 0.3448(3) 0.0147(8) Uani 1 1 d . . . . .
C22 C 0.3896(3) 0.9372(3) 0.3676(3) 0.0157(8) Uani 1 1 d . . . . .
C23 C 0.5694(3) 0.9660(4) 0.3232(4) 0.0326(13) Uani 1 1 d . . . . .
H23 H 0.640127 0.953701 0.332247 0.039 Uiso 1 1 calc R U . . .
C24 C 0.3117(3) 0.8799(3) 0.4280(3) 0.0129(8) Uani 1 1 d . . . . .
Li1 Li 0.5970(6) 1.1754(6) 0.0461(5) 0.0138(13) Uani 1 1 d . . . . .
Li2 Li 0.0979(6) 0.8286(6) 0.4629(6) 0.0164(14) Uani 1 1 d . . . . .
Li3 Li 0.7495(4) 0.7519(4) 0.4289(6) 0.0151(15) Uani 1 1 d . . . . .
N2 N 0.4828(8) 0.8622(6) 0.0901(6) 0.085(3) Uani 1 1 d . . . . .
N1 N 1.0409(8) 0.8014(6) 0.0903(8) 0.098(3) Uani 1 1 d . . . . .
O9 O 0.8807(8) 0.7432(6) 0.1506(7) 0.114(3) Uani 1 1 d . . . . .
C37 C 0.9363(12) 0.8029(9) 0.1010(10) 0.122(6) Uani 1 1 d . . . . .
H37 H 0.900740 0.852661 0.068812 0.147 Uiso 1 1 calc R U . . .
C39 C 0.4147(8) 0.9203(8) 0.0263(8) 0.083(3) Uani 1 1 d . . . . .
H39A H 0.456032 0.966244 -0.009968 0.124 Uiso 1 1 calc R U . . .
H39B H 0.364670 0.954899 0.065394 0.124 Uiso 1 1 calc R U . . .
H39C H 0.378925 0.877638 -0.018272 0.124 Uiso 1 1 calc R U . . .
C41 C 1.1108(15) 0.7374(10) 0.1386(10) 0.123(6) Uani 1 1 d . . . . .
H41A H 1.072292 0.685286 0.168789 0.184 Uiso 1 1 calc R U . . .
H41B H 1.148572 0.772865 0.187795 0.184 Uiso 1 1 calc R U . . .
H41C H 1.158999 0.710605 0.092004 0.184 Uiso 1 1 calc R U . . .
C40 C 0.4212(13) 0.7873(9) 0.1423(11) 0.102(4) Uani 1 1 d . . . . .
H40A H 0.391866 0.742347 0.095798 0.152 Uiso 1 1 calc R U . . .
H40B H 0.365992 0.818358 0.178148 0.152 Uiso 1 1 calc R U . . .
H40C H 0.465556 0.752351 0.186753 0.152 Uiso 1 1 calc R U . . .
C42 C 1.0886(13) 0.8693(10) 0.0190(9) 0.136(7) Uani 1 1 d . . . . .
H42A H 1.162375 0.857931 0.016004 0.204 Uiso 1 1 calc R U . . .
H42B H 1.075775 0.935542 0.039020 0.204 Uiso 1 1 calc R U . . .
H42C H 1.058451 0.858586 -0.044417 0.204 Uiso 1 1 calc R U . . .
C43 C 0.5817(8) 0.8760(7) 0.0991(7) 0.084(3) Uani 1 1 d . . . . .
H43 H 0.610378 0.930349 0.068309 0.101 Uiso 1 1 calc R U . . .
O10 O 0.6432(8) 0.8204(7) 0.1471(7) 0.118(3) Uani 1 1 d . . . . .
Li4 Li 0.7547(7) 0.7630(7) 0.2261(7) 0.035(2) Uani 1 1 d . . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C14 1.248(5) . ?
O1 Li1 1.925(8) . ?
O2 C14 1.275(5) . ?
O2 Li3 1.957(7) 2_674 ?
O2 Li2 1.960(9) 3_655 ?
O4 C21 1.261(5) . ?
O4 Li2 1.933(8) 1_655 ?
O4 Li1 2.019(8) 2_675 ?
O5 C16 1.262(5) . ?
O5 Li3 1.964(8) 3_655 ?
O5 Li4 1.992(10) 3_655 ?
C5 C18 1.373(6) . ?
C5 C17 1.406(6) . ?
O7 C24 1.273(5) . ?
O7 Li3 1.964(8) 4_466 ?
O7 Li1 1.979(8) 3_645 ?
O6 C16 1.254(5) . ?
O6 Li1 1.936(8) . ?
O6 Li2 2.052(8) 2_574 ?
O3 C21 1.260(5) . ?
O3 Li3 1.946(7) . ?
O3 Li4 1.984(10) . ?
O8 C24 1.255(5) . ?
O8 Li2 1.933(8) . ?
C10 C22 1.389(6) . ?
C10 C15 1.408(6) . ?
C11 C17 1.396(5) . ?
C11 C12 1.401(5) . ?
C12 C13 1.391(6) . ?
C12 C14 1.520(6) . ?
C13 C18 1.395(6) . ?
C14 Li3 2.772(8) 2_674 ?
C15 C20 1.391(6) . ?
C15 C16 1.516(5) . ?
C17 C21 1.508(5) . ?
C19 C23 1.385(6) . ?
C19 C22 1.404(6) . ?
C20 C23 1.398(6) . ?
C22 C24 1.515(5) . ?
C24 Li3 2.776(8) 4_466 ?
Li1 Li3 2.726(10) 2_674 ?
Li1 Li2 2.746(12) 2_574 ?
Li2 Li3 2.679(10) 4_466 ?
Li3 Li4 2.778(13) . ?
N2 C43 1.287(13) . ?
N2 C39 1.467(11) . ?
N2 C40 1.477(16) . ?
N1 C37 1.350(17) . ?
N1 C41 1.416(16) . ?
N1 C42 1.479(13) . ?
O9 C37 1.277(13) . ?
O9 Li4 1.937(11) . ?
C43 O10 1.277(11) . ?
O10 Li4 1.956(12) . ?

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
_geom_angle_publ_flag
C14 O1 Li1 127.6(4) . . ?
C14 O2 Li3 116.5(3) . 2_674 ?
C14 O2 Li2 139.6(4) . 3_655 ?
Li3 O2 Li2 86.3(3) 2_674 3_655 ?
C21 O4 Li2 151.8(4) . 1_655 ?
C21 O4 Li1 119.5(3) . 2_675 ?
Li2 O4 Li1 88.0(3) 1_655 2_675 ?
C16 O5 Li3 120.9(3) . 3_655 ?
C16 O5 Li4 132.2(4) . 3_655 ?
Li3 O5 Li4 89.2(4) 3_655 3_655 ?
C18 C5 C17 120.7(4) . . ?
C24 O7 Li3 116.4(3) . 4_466 ?
C24 O7 Li1 138.5(3) . 3_645 ?
Li3 O7 Li1 87.5(3) 4_466 3_645 ?
C16 O6 Li1 153.7(4) . . ?
C16 O6 Li2 119.3(3) . 2_574 ?
Li1 O6 Li2 87.0(3) . 2_574 ?
C21 O3 Li3 124.1(3) . . ?
C21 O3 Li4 129.1(4) . . ?
Li3 O3 Li4 90.0(4) . . ?
C24 O8 Li2 127.0(4) . . ?
C22 C10 C15 120.3(4) . . ?
C17 C11 C12 120.0(4) . . ?
C13 C12 C11 119.8(4) . . ?
C13 C12 C14 119.4(4) . . ?
C11 C12 C14 120.8(4) . . ?
C12 C13 C18 120.1(4) . . ?
O1 C14 O2 124.8(4) . . ?
O1 C14 C12 119.0(4) . . ?
O2 C14 C12 116.1(3) . . ?
O1 C14 Li3 86.0(3) . 2_674 ?
O2 C14 Li3 39.2(2) . 2_674 ?
C12 C14 Li3 154.1(3) . 2_674 ?
C20 C15 C10 119.1(4) . . ?
C20 C15 C16 119.8(4) . . ?
C10 C15 C16 121.1(4) . . ?
O6 C16 O5 123.6(4) . . ?
O6 C16 C15 117.8(4) . . ?
O5 C16 C15 118.6(4) . . ?
C11 C17 C5 119.1(4) . . ?
C11 C17 C21 120.3(4) . . ?
C5 C17 C21 120.6(4) . . ?
C5 C18 C13 120.2(4) . . ?
C23 C19 C22 120.1(4) . . ?
C15 C20 C23 120.7(4) . . ?
O3 C21 O4 123.5(4) . . ?
O3 C21 C17 118.5(4) . . ?
O4 C21 C17 117.9(3) . . ?
C10 C22 C19 119.8(4) . . ?
C10 C22 C24 121.7(4) . . ?
C19 C22 C24 118.6(4) . . ?
C19 C23 C20 119.8(4) . . ?
O8 C24 O7 124.3(4) . . ?
O8 C24 C22 118.5(4) . . ?
O7 C24 C22 117.2(3) . . ?
O8 C24 Li3 85.3(3) . 4_466 ?
O7 C24 Li3 39.3(2) . 4_466 ?
C22 C24 Li3 155.4(3) . 4_466 ?
O1 Li1 O6 122.5(4) . . ?
O1 Li1 O7 103.3(3) . 3_655 ?
O6 Li1 O7 122.8(4) . 3_655 ?
O1 Li1 O4 114.6(4) . 2_674 ?
O6 Li1 O4 88.8(3) . 2_674 ?
O7 Li1 O4 102.3(3) 3_655 2_674 ?
O1 Li1 Li3 76.9(3) . 2_674 ?
O6 Li1 Li3 160.5(4) . 2_674 ?
O7 Li1 Li3 46.0(2) 3_655 2_674 ?
O4 Li1 Li3 80.1(3) 2_674 2_674 ?
O1 Li1 Li2 146.9(4) . 2_574 ?
O6 Li1 Li2 48.2(2) . 2_574 ?
O7 Li1 Li2 106.5(3) 3_655 2_574 ?
O4 Li1 Li2 44.7(2) 2_674 2_574 ?
Li3 Li1 Li2 114.9(4) 2_674 2_574 ?
O4 Li2 O8 120.7(4) 1_455 . ?
O4 Li2 O2 124.6(4) 1_455 3_645 ?
O8 Li2 O2 103.8(4) . 3_645 ?
O4 Li2 O6 87.9(3) 1_455 2_575 ?
O8 Li2 O6 116.9(4) . 2_575 ?
O2 Li2 O6 100.4(4) 3_645 2_575 ?
O4 Li2 Li3 161.0(4) 1_455 4_466 ?
O8 Li2 Li3 77.7(3) . 4_466 ?
O2 Li2 Li3 46.8(2) 3_645 4_466 ?
O6 Li2 Li3 78.7(3) 2_575 4_466 ?
O4 Li2 Li1 47.3(2) 1_455 2_575 ?
O8 Li2 Li1 147.1(4) . 2_575 ?
O2 Li2 Li1 106.4(3) 3_645 2_575 ?
O6 Li2 Li1 44.8(2) 2_575 2_575 ?
Li3 Li2 Li1 115.0(4) 4_466 2_575 ?
O3 Li3 O2 117.8(3) . 2_675 ?
O3 Li3 O7 116.2(3) . 4_566 ?
O2 Li3 O7 96.0(4) 2_675 4_566 ?
O3 Li3 O5 91.4(4) . 3_645 ?
O2 Li3 O5 118.3(3) 2_675 3_645 ?
O7 Li3 O5 119.2(3) 4_566 3_645 ?
O3 Li3 Li2 156.3(3) . 4_566 ?
O2 Li3 Li2 46.9(2) 2_675 4_566 ?
O7 Li3 Li2 85.9(3) 4_566 4_566 ?
O5 Li3 Li2 84.5(3) 3_645 4_566 ?
O3 Li3 Li1 82.2(3) . 2_675 ?
O2 Li3 Li1 85.2(3) 2_675 2_675 ?
O7 Li3 Li1 46.5(2) 4_566 2_675 ?
O5 Li3 Li1 155.6(3) 3_645 2_675 ?
Li2 Li3 Li1 110.4(4) 4_566 2_675 ?
O3 Li3 C14 103.2(3) . 2_675 ?
O2 Li3 C14 24.31(16) 2_675 2_675 ?
O7 Li3 C14 86.2(3) 4_566 2_675 ?
O5 Li3 C14 141.5(3) 3_645 2_675 ?
Li2 Li3 C14 67.9(3) 4_566 2_675 ?
Li1 Li3 C14 62.8(2) 2_675 2_675 ?
O3 Li3 C24 139.7(3) . 4_566 ?
O2 Li3 C24 86.3(3) 2_675 4_566 ?
O7 Li3 C24 24.25(15) 4_566 4_566 ?
O5 Li3 C24 105.4(3) 3_645 4_566 ?
Li2 Li3 C24 63.4(2) 4_566 4_566 ?
Li1 Li3 C24 67.4(3) 2_675 4_566 ?
C14 Li3 C24 86.2(3) 2_675 4_566 ?
O3 Li3 Li4 45.6(3) . . ?
O2 Li3 Li4 132.7(4) 2_675 . ?
O7 Li3 Li4 131.2(3) 4_566 . ?
O5 Li3 Li4 45.8(3) 3_645 . ?
Li2 Li3 Li4 126.2(3) 4_566 . ?
Li1 Li3 Li4 123.4(3) 2_675 . ?
C14 Li3 Li4 136.7(3) 2_675 . ?
C24 Li3 Li4 137.1(3) 4_566 . ?
C43 N2 C39 124.3(10) . . ?
C43 N2 C40 125.6(10) . . ?
C39 N2 C40 110.1(10) . . ?
C37 N1 C41 126.0(13) . . ?
C37 N1 C42 118.2(12) . . ?
C41 N1 C42 115.7(13) . . ?
C37 O9 Li4 131.2(9) . . ?
O9 C37 N1 127.0(16) . . ?
O10 C43 N2 124.7(12) . . ?
C43 O10 Li4 166.9(9) . . ?
O9 Li4 O10 111.8(7) . . ?
O9 Li4 O3 100.3(5) . . ?
O10 Li4 O3 117.3(6) . . ?
O9 Li4 O5 127.2(6) . 3_645 ?
O10 Li4 O5 108.8(6) . 3_645 ?
O3 Li4 O5 89.5(4) . 3_645 ?
O9 Li4 Li3 123.0(5) . . ?
O10 Li4 Li3 123.8(5) . . ?
O3 Li4 Li3 44.5(3) . . ?
O5 Li4 Li3 45.0(3) 3_645 . ?

_refine_diff_density_max         1.403
_refine_diff_density_min         -0.730
_refine_diff_density_rms         0.140

