##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
                                             
data_global
_audit_creation_method
;
manual editing of the CIF file
created by SHELXTL Ver. 6.10
and processed with modiCIfer-03272007.
;
_journal_date_recd_electronic     2010-03-04
_journal_date_accepted     2010-03-12
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      4
_journal_page_first     m438
_journal_page_last     m439
_journal_paper_category     QM
_journal_coeditor_code     SI2246
_publ_contact_author_name
;
Guzei, Ilia A.
;
_publ_contact_author_address
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI  53706
USA
;
_publ_contact_author_email     iguzei@chem.wisc.edu
_publ_contact_author_fax     '608-262-0381'
_publ_contact_author_phone     '608-263-4694'
_publ_section_title
;
(μ-1,4,7,10-Tetraoxacyclododecane)bis[(1,4,7,10-tetraoxacyclododecane)lithium]
bis(perchlorate)
;
loop_
    _publ_author_name
    _publ_author_address
    'Guzei, Ilia A.'
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI 53706
USA
;
    'Spencer, Lara C.'
;
Department of Chemistry
University of Wisconsin-Madison
1101 University Ave
Madison, WI 53706
USA
;
    'Xiao, Lingyun'
;
Small Molecule Process & Product Development
AMGEN
One Amgen Center Drive
Thousand Oaks, CA 91320
USA
;
    'Burnette, Ronald R.'
;
School of Pharmacy
University of Wisconsin-Madison
777 Highland Ave
Madison, WI 53705
USA
;
data_I
_chemical_name_systematic
;
(μ-1,4,7,10-Tetraoxacyclododecane)bis[(1,4,7,10-tetraoxacyclododecane)lithium]
bis(perchlorate)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C24 H48 Li2 O12 2-, 2(Cl O4 +)'
_chemical_formula_sum     'C24 H48 Cl2 Li2 O20'
_chemical_formula_iupac     '[Li2 (C8 H16 O4)3] (Cl O4)2'
_chemical_formula_weight     741.40
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     7.7395(7)
_cell_length_b     14.1924(13)
_cell_length_c     15.2801(14)
_cell_angle_alpha     90.00
_cell_angle_beta     95.962(2)
_cell_angle_gamma     90.00
_cell_volume     1669.3(3)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     999
_cell_measurement_theta_min     2.65
_cell_measurement_theta_max     26.40
_cell_measurement_temperature     100(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.40
_exptl_crystal_size_mid     0.30
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.475
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     784
_exptl_absorpt_coefficient_mu     0.278
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2003)
;
_exptl_absorpt_correction_T_min     0.8971
_exptl_absorpt_correction_T_max     0.9466
_exptl_special_details
;
;
_diffrn_ambient_temperature     100(2)
_diffrn_radiation_type     'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Bruker CCD-1000 area-detector'
_diffrn_measurement_method     '0.30° ω and 0.4 ° φ scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     13593
_diffrn_reflns_av_R_equivalents     0.0267
_diffrn_reflns_av_sigmaI/netI     0.0211
_diffrn_reflns_theta_min     2.65
_diffrn_reflns_theta_max     26.40
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.998
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     9
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -19
_diffrn_reflns_limit_l_max     19
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors
based on F² are statistically about twice as large as those based on
F, and R- factors based on ALL data will be even larger.
;
_reflns_number_total     3412
_reflns_number_gt     3139
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0366
_refine_ls_R_factor_gt     0.0339
_refine_ls_wR_factor_gt     0.0899
_refine_ls_wR_factor_ref     0.0923
_refine_ls_goodness_of_fit_ref     1.037
_refine_ls_restrained_S_all     1.037
_refine_ls_number_reflns     3412
_refine_ls_number_parameters     217
_refine_ls_number_restraints     0
_refine_ls_number_constraints     ?
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
;
w=1/[σ²(Fo²)+(0.0467P)²+1.0270P] where P=(Fo²+2Fc²)/3
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.505
_refine_diff_density_min     -0.360
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cl' 'Cl' 0.1484 0.1585
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 2003)'
_computing_cell_refinement     'SAINT (Bruker, 2003)'
_computing_data_reduction     'SAINT (Bruker, 2003)'
_computing_structure_solution     'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement
                                   'SHELXTL and FCF_filter (Guzei, 2007)'
_computing_molecular_graphics     'SHELXTL and DIAMOND (Brandenburg, 1999)'
_computing_publication_material
;
SHELXTL, publCIF (Westrip, 2010) and modiCIFer (Guzei,
2007)
;
loop_
    _atom_site_type_symbol
    _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
    O O1 0.37224(13) -0.00939(8) 0.79331(7) 0.0253(2) Uani d . 1 . .
    O O2 0.14456(14) -0.11875(7) 0.68986(7) 0.0228(2) Uani d . 1 . .
    O O3 -0.10708(13) 0.00835(7) 0.70392(6) 0.0206(2) Uani d . 1 . .
    O O4 0.11574(14) 0.11599(7) 0.80927(7) 0.0223(2) Uani d . 1 . .
    O O5 0.01430(12) -0.10039(7) 0.88536(6) 0.0188(2) Uani d . 1 . .
    O O6 -0.20229(14) 0.05033(7) 0.94017(7) 0.0233(2) Uani d . 1 . .
    Li Li1 0.1036(3) -0.02805(17) 0.79255(15) 0.0201(5) Uani d . 1 . .
    C C1 0.4243(2) -0.04051(12) 0.71080(10) 0.0279(3) Uani d . 1 . .
    H H1A 0.5516 -0.0498 0.7151 0.033 Uiso calc R 1 . .
    H H1B 0.3909 0.0063 0.6641 0.033 Uiso calc R 1 . .
    C C2 0.3315(2) -0.13188(12) 0.69088(11) 0.0303(4) Uani d . 1 . .
    H H2A 0.3585 -0.1557 0.6329 0.036 Uiso calc R 1 . .
    H H2B 0.3719 -0.1792 0.7360 0.036 Uiso calc R 1 . .
    C C3 0.0620(2) -0.08202(11) 0.60923(10) 0.0261(3) Uani d . 1 . .
    H H3A 0.0564 -0.1304 0.5624 0.031 Uiso calc R 1 . .
    H H3B 0.1261 -0.0267 0.5900 0.031 Uiso calc R 1 . .
    C C4 -0.1181(2) -0.05422(12) 0.62882(10) 0.0261(3) Uani d . 1 . .
    H H4A -0.1794 -0.0223 0.5770 0.031 Uiso calc R 1 . .
    H H4B -0.1849 -0.1112 0.6414 0.031 Uiso calc R 1 . .
    C C5 -0.0971(2) 0.10586(11) 0.68153(10) 0.0243(3) Uani d . 1 . .
    H H5A -0.2113 0.1291 0.6550 0.029 Uiso calc R 1 . .
    H H5B -0.0103 0.1158 0.6392 0.029 Uiso calc R 1 . .
    C C6 -0.0433(2) 0.15582(11) 0.76647(10) 0.0255(3) Uani d . 1 . .
    H H6A -0.0256 0.2236 0.7548 0.031 Uiso calc R 1 . .
    H H6B -0.1366 0.1503 0.8058 0.031 Uiso calc R 1 . .
    C C7 0.2697(2) 0.15160(11) 0.77685(10) 0.0251(3) Uani d . 1 . .
    H H7A 0.2919 0.2173 0.7966 0.030 Uiso calc R 1 . .
    H H7B 0.2586 0.1501 0.7117 0.030 Uiso calc R 1 . .
    C C8 0.4132(2) 0.08828(12) 0.81403(10) 0.0277(3) Uani d . 1 . .
    H H8A 0.5222 0.1058 0.7895 0.033 Uiso calc R 1 . .
    H H8B 0.4315 0.0963 0.8787 0.033 Uiso calc R 1 . .
    C C9 0.1074(2) -0.16375(11) 0.94693(10) 0.0236(3) Uani d . 1 . .
    H H9A 0.1499 -0.2182 0.9148 0.028 Uiso calc R 1 . .
    H H9B 0.0280 -0.1878 0.9886 0.028 Uiso calc R 1 . .
    C C10 -0.17131(18) -0.10405(11) 0.88613(9) 0.0211(3) Uani d . 1 . .
    H H10A -0.2075 -0.1703 0.8930 0.025 Uiso calc R 1 . .
    H H10B -0.2275 -0.0808 0.8290 0.025 Uiso calc R 1 . .
    C C11 -0.23197(18) -0.04594(11) 0.95912(10) 0.0219(3) Uani d . 1 . .
    H H11A -0.3572 -0.0569 0.9632 0.026 Uiso calc R 1 . .
    H H11B -0.1670 -0.0636 1.0160 0.026 Uiso calc R 1 . .
    C C12 -0.2582(2) 0.11475(11) 1.00296(10) 0.0248(3) Uani d . 1 . .
    H H12A -0.3248 0.0802 1.0447 0.030 Uiso calc R 1 . .
    H H12B -0.3363 0.1622 0.9723 0.030 Uiso calc R 1 . .
    Cl Cl1 0.42590(4) 0.18127(2) 0.53628(2) 0.01772(11) Uani d . 1 . .
    O O7 0.49851(14) 0.23355(8) 0.61216(7) 0.0266(3) Uani d . 1 . .
    O O8 0.38979(16) 0.24318(8) 0.46246(8) 0.0325(3) Uani d . 1 . .
    O O9 0.26490(16) 0.13825(9) 0.55554(7) 0.0334(3) Uani d . 1 . .
    O O10 0.54620(18) 0.11021(10) 0.51571(9) 0.0421(3) Uani d . 1 . .
_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    O1 C1 . 1.4326(18) ?
    O1 C8 . 1.450(2) ?
    O1 Li1 . 2.094(3) yes
    O2 C3 . 1.4264(18) ?
    O2 C2 . 1.4573(19) ?
    O2 Li1 . 2.079(3) yes
    O3 C5 . 1.4296(18) ?
    O3 C4 . 1.4466(18) ?
    O3 Li1 . 2.074(3) yes
    O4 C7 . 1.4295(18) ?
    O4 C6 . 1.4473(18) ?
    O4 Li1 . 2.061(3) yes
    O5 C10 . 1.4388(16) ?
    O5 C9 . 1.4394(17) ?
    O5 Li1 . 1.936(3) yes
    O6 C11 . 1.4203(18) ?
    O6 C12 . 1.4247(18) ?
    C1 C2 . 1.498(2) ?
    C1 H1A . 0.9900 ?
    C1 H1B . 0.9900 ?
    C2 H2A . 0.9900 ?
    C2 H2B . 0.9900 ?
    C3 C4 . 1.508(2) ?
    C3 H3A . 0.9900 ?
    C3 H3B . 0.9900 ?
    C4 H4A . 0.9900 ?
    C4 H4B . 0.9900 ?
    C5 C6 . 1.499(2) ?
    C5 H5A . 0.9900 ?
    C5 H5B . 0.9900 ?
    C6 H6A . 0.9900 ?
    C6 H6B . 0.9900 ?
    C7 C8 . 1.494(2) ?
    C7 H7A . 0.9900 ?
    C7 H7B . 0.9900 ?
    C8 H8A . 0.9900 ?
    C8 H8B . 0.9900 ?
    C9 C12 3_557 1.499(2) ?
    C9 H9A . 0.9900 ?
    C9 H9B . 0.9900 ?
    C10 C11 . 1.501(2) ?
    C10 H10A . 0.9900 ?
    C10 H10B . 0.9900 ?
    C11 H11A . 0.9900 ?
    C11 H11B . 0.9900 ?
    C12 C9 3_557 1.499(2) ?
    C12 H12A . 0.9900 ?
    C12 H12B . 0.9900 ?
    Cl1 O10 . 1.4294(12) ?
    Cl1 O8 . 1.4343(11) ?
    Cl1 O7 . 1.4407(11) ?
    Cl1 O9 . 1.4451(11) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C1 O1 C8 . . 114.32(12) ?
    C1 O1 Li1 . . 109.00(11) ?
    C8 O1 Li1 . . 108.46(11) ?
    C3 O2 C2 . . 114.29(11) ?
    C3 O2 Li1 . . 109.63(11) ?
    C2 O2 Li1 . . 107.45(11) ?
    C5 O3 C4 . . 113.86(11) ?
    C5 O3 Li1 . . 109.81(11) ?
    C4 O3 Li1 . . 110.02(11) ?
    C7 O4 C6 . . 113.93(11) ?
    C7 O4 Li1 . . 109.66(11) ?
    C6 O4 Li1 . . 107.81(11) ?
    C10 O5 C9 . . 113.85(11) ?
    C10 O5 Li1 . . 117.26(11) ?
    C9 O5 Li1 . . 128.14(11) ?
    C11 O6 C12 . . 114.41(11) ?
    O5 Li1 O4 . . 116.76(12) ?
    O5 Li1 O3 . . 107.10(12) ?
    O4 Li1 O3 . . 81.74(10) ?
    O5 Li1 O2 . . 108.58(12) ?
    O4 Li1 O2 . . 134.35(13) ?
    O3 Li1 O2 . . 80.36(9) ?
    O5 Li1 O1 . . 119.53(12) ?
    O4 Li1 O1 . . 80.89(10) ?
    O3 Li1 O1 . . 133.22(12) ?
    O2 Li1 O1 . . 81.58(10) ?
    O1 C1 C2 . . 105.85(12) ?
    O1 C1 H1A . . 110.6 ?
    C2 C1 H1A . . 110.6 ?
    O1 C1 H1B . . 110.6 ?
    C2 C1 H1B . . 110.6 ?
    H1A C1 H1B . . 108.7 ?
    O2 C2 C1 . . 110.23(12) ?
    O2 C2 H2A . . 109.6 ?
    C1 C2 H2A . . 109.6 ?
    O2 C2 H2B . . 109.6 ?
    C1 C2 H2B . . 109.6 ?
    H2A C2 H2B . . 108.1 ?
    O2 C3 C4 . . 105.34(12) ?
    O2 C3 H3A . . 110.7 ?
    C4 C3 H3A . . 110.7 ?
    O2 C3 H3B . . 110.7 ?
    C4 C3 H3B . . 110.7 ?
    H3A C3 H3B . . 108.8 ?
    O3 C4 C3 . . 109.81(12) ?
    O3 C4 H4A . . 109.7 ?
    C3 C4 H4A . . 109.7 ?
    O3 C4 H4B . . 109.7 ?
    C3 C4 H4B . . 109.7 ?
    H4A C4 H4B . . 108.2 ?
    O3 C5 C6 . . 105.53(12) ?
    O3 C5 H5A . . 110.6 ?
    C6 C5 H5A . . 110.6 ?
    O3 C5 H5B . . 110.6 ?
    C6 C5 H5B . . 110.6 ?
    H5A C5 H5B . . 108.8 ?
    O4 C6 C5 . . 110.67(12) ?
    O4 C6 H6A . . 109.5 ?
    C5 C6 H6A . . 109.5 ?
    O4 C6 H6B . . 109.5 ?
    C5 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 108.1 ?
    O4 C7 C8 . . 105.61(12) ?
    O4 C7 H7A . . 110.6 ?
    C8 C7 H7A . . 110.6 ?
    O4 C7 H7B . . 110.6 ?
    C8 C7 H7B . . 110.6 ?
    H7A C7 H7B . . 108.7 ?
    O1 C8 C7 . . 110.79(12) ?
    O1 C8 H8A . . 109.5 ?
    C7 C8 H8A . . 109.5 ?
    O1 C8 H8B . . 109.5 ?
    C7 C8 H8B . . 109.5 ?
    H8A C8 H8B . . 108.1 ?
    O5 C9 C12 . 3_557 110.75(12) ?
    O5 C9 H9A . . 109.5 ?
    C12 C9 H9A 3_557 . 109.5 ?
    O5 C9 H9B . . 109.5 ?
    C12 C9 H9B 3_557 . 109.5 ?
    H9A C9 H9B . . 108.1 ?
    O5 C10 C11 . . 112.07(11) ?
    O5 C10 H10A . . 109.2 ?
    C11 C10 H10A . . 109.2 ?
    O5 C10 H10B . . 109.2 ?
    C11 C10 H10B . . 109.2 ?
    H10A C10 H10B . . 107.9 ?
    O6 C11 C10 . . 107.90(11) ?
    O6 C11 H11A . . 110.1 ?
    C10 C11 H11A . . 110.1 ?
    O6 C11 H11B . . 110.1 ?
    C10 C11 H11B . . 110.1 ?
    H11A C11 H11B . . 108.4 ?
    O6 C12 C9 . 3_557 111.52(12) ?
    O6 C12 H12A . . 109.3 ?
    C9 C12 H12A 3_557 . 109.3 ?
    O6 C12 H12B . . 109.3 ?
    C9 C12 H12B 3_557 . 109.3 ?
    H12A C12 H12B . . 108.0 ?
    O10 Cl1 O8 . . 109.72(8) ?
    O10 Cl1 O7 . . 109.37(7) ?
    O8 Cl1 O7 . . 110.20(7) ?
    O10 Cl1 O9 . . 109.99(9) ?
    O8 Cl1 O9 . . 108.50(7) ?
    O7 Cl1 O9 . . 109.04(7) ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C10 O5 Li1 O4 . . . . 79.93(16) ?
    C9 O5 Li1 O4 . . . . -110.63(15) ?
    C10 O5 Li1 O3 . . . . -9.32(17) ?
    C9 O5 Li1 O3 . . . . 160.13(11) ?
    C10 O5 Li1 O2 . . . . -94.65(14) ?
    C9 O5 Li1 O2 . . . . 74.80(17) ?
    C10 O5 Li1 O1 . . . . 174.62(12) ?
    C9 O5 Li1 O1 . . . . -15.9(2) ?
    C7 O4 Li1 O5 . . . . 142.15(13) ?
    C6 O4 Li1 O5 . . . . -93.29(15) ?
    C7 O4 Li1 O3 . . . . -112.81(10) ?
    C6 O4 Li1 O3 . . . . 11.75(11) ?
    C7 O4 Li1 O2 . . . . -45.1(2) ?
    C6 O4 Li1 O2 . . . . 79.51(19) ?
    C7 O4 Li1 O1 . . . . 23.59(12) ?
    C6 O4 Li1 O1 . . . . 148.15(10) ?
    C5 O3 Li1 O5 . . . . 133.72(12) ?
    C4 O3 Li1 O5 . . . . -100.20(13) ?
    C5 O3 Li1 O4 . . . . 18.16(12) ?
    C4 O3 Li1 O4 . . . . 144.25(10) ?
    C5 O3 Li1 O2 . . . . -119.67(11) ?
    C4 O3 Li1 O2 . . . . 6.42(12) ?
    C5 O3 Li1 O1 . . . . -51.0(2) ?
    C4 O3 Li1 O1 . . . . 75.10(19) ?
    C3 O2 Li1 O5 . . . . 128.64(12) ?
    C2 O2 Li1 O5 . . . . -106.61(13) ?
    C3 O2 Li1 O4 . . . . -44.6(2) ?
    C2 O2 Li1 O4 . . . . 80.17(19) ?
    C3 O2 Li1 O3 . . . . 23.72(12) ?
    C2 O2 Li1 O3 . . . . 148.47(10) ?
    C3 O2 Li1 O1 . . . . -112.94(11) ?
    C2 O2 Li1 O1 . . . . 11.80(12) ?
    C1 O1 Li1 O5 . . . . 125.29(14) ?
    C8 O1 Li1 O5 . . . . -109.67(15) ?
    C1 O1 Li1 O4 . . . . -119.04(11) ?
    C8 O1 Li1 O4 . . . . 6.01(12) ?
    C1 O1 Li1 O3 . . . . -49.5(2) ?
    C8 O1 Li1 O3 . . . . 75.50(19) ?
    C1 O1 Li1 O2 . . . . 18.65(12) ?
    C8 O1 Li1 O2 . . . . 143.69(10) ?
    C8 O1 C1 C2 . . . . -165.58(12) ?
    Li1 O1 C1 C2 . . . . -44.04(15) ?
    C3 O2 C2 C1 . . . . 81.88(16) ?
    Li1 O2 C2 C1 . . . . -40.01(16) ?
    O1 C1 C2 O2 . . . . 56.83(16) ?
    C2 O2 C3 C4 . . . . -167.89(12) ?
    Li1 O2 C3 C4 . . . . -47.21(15) ?
    C5 O3 C4 C3 . . . . 89.63(15) ?
    Li1 O3 C4 C3 . . . . -34.13(15) ?
    O2 C3 C4 O3 . . . . 53.90(15) ?
    C4 O3 C5 C6 . . . . -166.51(12) ?
    Li1 O3 C5 C6 . . . . -42.64(14) ?
    C7 O4 C6 C5 . . . . 82.64(15) ?
    Li1 O4 C6 C5 . . . . -39.31(15) ?
    O3 C5 C6 O4 . . . . 55.08(15) ?
    C6 O4 C7 C8 . . . . -168.01(12) ?
    Li1 O4 C7 C8 . . . . -47.09(14) ?
    C1 O1 C8 C7 . . . . 88.01(15) ?
    Li1 O1 C8 C7 . . . . -33.84(15) ?
    O4 C7 C8 O1 . . . . 54.00(15) ?
    C10 O5 C9 C12 . . . 3_557 -134.05(13) ?
    Li1 O5 C9 C12 . . . 3_557 56.20(18) ?
    C9 O5 C10 C11 . . . . 81.83(15) ?
    Li1 O5 C10 C11 . . . . -107.23(14) ?
    C12 O6 C11 C10 . . . . 178.36(11) ?
    O5 C10 C11 O6 . . . . 67.70(15) ?
    C11 O6 C12 C9 . . . 3_557 112.52(14) ?
