# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_[Li2(hfa)2(diglyme(H2O)]
_database_code_depnum_ccdc_archive 'CCDC 1957323'
loop_
_audit_author_name
_audit_author_address
'Patrizia Rossi'
;Universita degli Studi di Firenze
Italy
;
_audit_update_record             
;
2019-10-03 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C16 H18 F12 Li2 O8'
_chemical_formula_weight         580.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.4267(12)
_cell_length_b                   11.4325(11)
_cell_length_c                   12.2450(10)
_cell_angle_alpha                112.482(9)
_cell_angle_beta                 95.143(10)
_cell_angle_gamma                92.239(9)
_cell_volume                     1210.6(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    3110
_cell_measurement_theta_min      4.4550
_cell_measurement_theta_max      72.0270


_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.592
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             584
_exptl_absorpt_coefficient_mu    1.631
_exptl_absorpt_correction_T_min  0.59900
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;


_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Onyx'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 8.1241
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11683
_diffrn_reflns_av_R_equivalents  0.0999
_diffrn_reflns_av_sigmaI/netI    0.0906
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.93
_diffrn_reflns_theta_max         74.18
_reflns_number_total             4594
_reflns_number_gt                2653
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_cell_refinement       'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.46 (Rigaku OD, 2018)'
_computing_structure_solution    'SIR-2004 (Burla, 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae, 2008)'
_computing_publication_material  'Parst97 (Nardelli, 1995)'


_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 > 2σ(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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1698P)²+0.8247P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4594
_refine_ls_number_parameters     359
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.1448
_refine_ls_R_factor_gt           0.0972
_refine_ls_wR_factor_ref         0.3398
_refine_ls_wR_factor_gt          0.2580
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_restrained_S_all      1.085
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.1533(10) 0.9088(9) 0.8749(7) 0.054(2) Uani 1 1 d . . .
Li2 Li 0.2784(11) 0.7681(9) 0.6564(7) 0.056(2) Uani 1 1 d . . .
O1W O -0.0547(4) 0.8943(4) 0.8373(3) 0.0570(9) Uani 1 1 d D . .
H1WA H -0.087(7) 0.964(4) 0.843(6) 0.086 Uiso 1 1 d D . .
H1WB H -0.092(7) 0.884(6) 0.893(5) 0.086 Uiso 1 1 d D . .
O1 O 0.1947(4) 1.0985(4) 0.9660(3) 0.0589(9) Uani 1 1 d . . .
O2 O 0.2107(4) 0.9404(3) 0.7270(3) 0.0529(9) Uani 1 1 d . . .
C1 C 0.2069(7) 1.1810(6) 0.9259(5) 0.0632(14) Uani 1 1 d . A .
C2 C 0.2154(7) 1.1633(6) 0.8067(6) 0.0679(16) Uani 1 1 d . . .
H2 H 0.2215 1.2359 0.7870 0.082 Uiso 1 1 calc R . .
C3 C 0.2152(6) 1.0447(5) 0.7171(5) 0.0557(13) Uani 1 1 d . . .
C4 C 0.2117(10) 1.3166(7) 1.0160(7) 0.089(2) Uani 1 1 d . . .
C5 C 0.2299(7) 1.0395(6) 0.5917(5) 0.0623(15) Uani 1 1 d . . .
F4A F 0.3198(12) 1.3196(8) 1.1205(9) 0.0850(14) Uani 0.45 1 d P A 1
F4B F 0.1049(16) 1.3462(10) 1.0673(10) 0.0850(14) Uani 0.45 1 d P A 1
F4C F 0.2916(14) 1.4044(10) 1.0034(12) 0.0850(14) Uani 0.45 1 d P A 1
F4D F 0.335(2) 1.3834(19) 0.997(2) 0.0850(14) Uani 0.25 1 d P A 2
F4E F 0.097(2) 1.3778(14) 0.9921(15) 0.0850(14) Uani 0.25 1 d P A 2
F4F F 0.233(3) 1.3332(14) 1.1334(16) 0.0850(14) Uani 0.25 1 d P A 2
F4G F 0.117(3) 1.3278(16) 1.0989(15) 0.0850(14) Uani 0.30 1 d P A 3
F4H F 0.1559(19) 1.4010(12) 0.9574(13) 0.0850(14) Uani 0.30 1 d P A 3
F4I F 0.3218(19) 1.3636(13) 1.0612(14) 0.0850(14) Uani 0.30 1 d P A 3
F5A F 0.1944(4) 1.1452(3) 0.5765(3) 0.0731(10) Uani 1 1 d . . .
F5B F 0.3637(4) 1.0230(4) 0.5655(3) 0.0813(12) Uani 1 1 d . . .
F5C F 0.1482(5) 0.9432(3) 0.5100(3) 0.0766(10) Uani 1 1 d . . .
O3 O 0.2321(4) 0.7382(3) 0.7984(3) 0.0513(9) Uani 1 1 d . . .
O4 O 0.1730(4) 0.8758(4) 1.0304(3) 0.0571(10) Uani 1 1 d . . .
C6 C 0.2749(6) 0.6638(5) 0.8444(4) 0.0507(12) Uani 1 1 d . . .
C7 C 0.2775(7) 0.6786(5) 0.9633(5) 0.0573(14) Uani 1 1 d . . .
H7 H 0.3158 0.6158 0.9879 0.069 Uiso 1 1 calc R . .
C8 C 0.2241(6) 0.7847(5) 1.0463(5) 0.0563(13) Uani 1 1 d . . .
C9 C 0.3215(6) 0.5380(5) 0.7603(5) 0.0553(13) Uani 1 1 d . . .
C10 C 0.2287(8) 0.7872(6) 1.1737(5) 0.0678(16) Uani 1 1 d . . .
F9A F 0.3678(5) 0.5481(3) 0.6635(3) 0.0781(11) Uani 1 1 d . . .
F9B F 0.2106(4) 0.4494(3) 0.7184(3) 0.0754(10) Uani 1 1 d . . .
F9C F 0.4220(4) 0.4887(3) 0.8071(3) 0.0743(10) Uani 1 1 d . . .
F10A F 0.3594(5) 0.7832(5) 1.2180(3) 0.0991(14) Uani 1 1 d . . .
F10B F 0.1526(6) 0.6886(4) 1.1757(4) 0.1030(15) Uani 1 1 d . . .
F10C F 0.1771(6) 0.8896(4) 1.2471(3) 0.0972(15) Uani 1 1 d . . .
O5 O 0.4937(4) 0.8187(4) 0.7229(3) 0.0616(10) Uani 1 1 d . . .
O6 O 0.3727(4) 0.7218(4) 0.5023(3) 0.0571(9) Uani 1 1 d . . .
O7 O 0.1186(4) 0.6518(4) 0.5370(3) 0.0557(9) Uani 1 1 d . . .
C11 C 0.5312(7) 0.9221(7) 0.8349(5) 0.0725(17) Uani 1 1 d . . .
H11A H 0.4725 0.9126 0.8936 0.109 Uiso 1 1 calc R . .
H11B H 0.5145 1.0023 0.8263 0.109 Uiso 1 1 calc R . .
H11C H 0.6324 0.9221 0.8617 0.109 Uiso 1 1 calc R . .
C12 C 0.5768(6) 0.8260(6) 0.6337(5) 0.0599(14) Uani 1 1 d . . .
H12A H 0.6793 0.8216 0.6564 0.072 Uiso 1 1 calc R . .
H12B H 0.5649 0.9067 0.6228 0.072 Uiso 1 1 calc R . .
C13 C 0.5235(6) 0.7150(6) 0.5214(5) 0.0613(14) Uani 1 1 d . . .
H13A H 0.5702 0.7196 0.4537 0.074 Uiso 1 1 calc R . .
H13B H 0.5443 0.6344 0.5295 0.074 Uiso 1 1 calc R . .
C14 C 0.2992(7) 0.6120(5) 0.4103(5) 0.0598(14) Uani 1 1 d . . .
H14A H 0.3238 0.5343 0.4227 0.072 Uiso 1 1 calc R . .
H14B H 0.3255 0.6049 0.3316 0.072 Uiso 1 1 calc R . .
C15 C 0.1429(7) 0.6285(6) 0.4165(5) 0.0610(14) Uani 1 1 d . . .
H15A H 0.1162 0.7011 0.3959 0.073 Uiso 1 1 calc R . .
H15B H 0.0855 0.5509 0.3606 0.073 Uiso 1 1 calc R . .
C16 C -0.0256(6) 0.6749(6) 0.5572(5) 0.0611(14) Uani 1 1 d . . .
H16A H -0.0373 0.6899 0.6401 0.092 Uiso 1 1 calc R . .
H16B H -0.0886 0.6010 0.5042 0.092 Uiso 1 1 calc R . .
H16C H -0.0504 0.7498 0.5413 0.092 Uiso 1 1 calc R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Li1 O1W 1.959(10) . ?
Li1 O3 2.018(9) . ?
Li1 O1 2.027(10) . ?
Li1 O4 2.073(9) . ?
Li1 O2 2.089(8) . ?
Li1 Li2 2.925(11) . ?
Li2 O3 1.976(9) . ?
Li2 O2 1.983(9) . ?
Li2 O7 2.034(11) . ?
Li2 O6 2.051(9) . ?
Li2 O5 2.091(11) . ?
O1 C1 1.225(7) . ?
O2 C3 1.243(6) . ?
C1 C2 1.405(8) . ?
C1 C4 1.516(10) . ?
C2 C3 1.380(9) . ?
C3 C5 1.533(7) . ?
C4 F4I 1.139(18) . ?
C4 F4B 1.225(15) . ?
C4 F4C 1.296(15) . ?
C4 F4F 1.37(2) . ?
C4 F4E 1.38(2) . ?
C4 F4G 1.38(2) . ?
C4 F4D 1.45(3) . ?
C4 F4H 1.491(17) . ?
C4 F4A 1.552(15) . ?
C5 F5C 1.327(8) . ?
C5 F5B 1.332(7) . ?
C5 F5A 1.341(6) . ?
O3 C6 1.248(6) . ?
O4 C8 1.237(6) . ?
C6 C7 1.397(7) . ?
C6 C9 1.522(7) . ?
C7 C8 1.399(8) . ?
C8 C10 1.546(7) . ?
C9 F9C 1.317(6) . ?
C9 F9A 1.343(6) . ?
C9 F9B 1.344(7) . ?
C10 F10A 1.311(8) . ?
C10 F10C 1.316(7) . ?
C10 F10B 1.322(8) . ?
O5 C12 1.425(7) . ?
O5 C11 1.430(8) . ?
O6 C14 1.427(7) . ?
O6 C13 1.430(7) . ?
O7 C16 1.420(7) . ?
O7 C15 1.437(6) . ?
C12 C13 1.498(9) . ?
C14 C15 1.498(8) . ?

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
O1W Li1 O3 110.5(5) . . ?
O1W Li1 O1 101.7(4) . . ?
O3 Li1 O1 147.5(5) . . ?
O1W Li1 O4 101.5(4) . . ?
O3 Li1 O4 86.1(3) . . ?
O1 Li1 O4 91.8(4) . . ?
O1W Li1 O2 98.5(4) . . ?
O3 Li1 O2 85.0(3) . . ?
O1 Li1 O2 86.2(4) . . ?
O4 Li1 O2 159.9(5) . . ?
O1W Li1 Li2 108.4(4) . . ?
O3 Li1 Li2 42.4(2) . . ?
O1 Li1 Li2 122.8(4) . . ?
O4 Li1 Li2 126.6(4) . . ?
O2 Li1 Li2 42.7(3) . . ?
O3 Li2 O2 89.0(3) . . ?
O3 Li2 O7 98.6(5) . . ?
O2 Li2 O7 108.3(5) . . ?
O3 Li2 O6 152.4(5) . . ?
O2 Li2 O6 117.9(5) . . ?
O7 Li2 O6 79.7(3) . . ?
O3 Li2 O5 92.7(4) . . ?
O2 Li2 O5 97.0(5) . . ?
O7 Li2 O5 152.3(5) . . ?
O6 Li2 O5 78.6(4) . . ?
O3 Li2 Li1 43.5(2) . . ?
O2 Li2 Li1 45.6(2) . . ?
O7 Li2 Li1 107.3(4) . . ?
O6 Li2 Li1 163.0(5) . . ?
O5 Li2 Li1 98.3(4) . . ?
C1 O1 Li1 128.1(4) . . ?
C3 O2 Li2 141.6(4) . . ?
C3 O2 Li1 125.4(4) . . ?
Li2 O2 Li1 91.8(4) . . ?
O1 C1 C2 127.2(6) . . ?
O1 C1 C4 115.6(5) . . ?
C2 C1 C4 117.3(5) . . ?
C3 C2 C1 122.6(5) . . ?
O2 C3 C2 127.3(5) . . ?
O2 C3 C5 115.5(5) . . ?
C2 C3 C5 117.1(5) . . ?
F4I C4 F4B 120.9(12) . . ?
F4I C4 F4C 48.7(10) . . ?
F4B C4 F4C 118.7(9) . . ?
F4I C4 F4F 66.9(13) . . ?
F4B C4 F4F 66.8(12) . . ?
F4C C4 F4F 107.4(12) . . ?
F4I C4 F4E 125.9(12) . . ?
F4B C4 F4E 49.9(9) . . ?
F4C C4 F4E 86.4(10) . . ?
F4F C4 F4E 112.2(13) . . ?
F4I C4 F4G 111.1(14) . . ?
F4B C4 F4G 21.6(10) . . ?
F4C C4 F4G 129.1(10) . . ?
F4F C4 F4G 48.1(11) . . ?
F4E C4 F4G 71.5(12) . . ?
F4I C4 F4D 39.2(13) . . ?
F4B C4 F4D 136.2(11) . . ?
F4C C4 F4D 19.0(9) . . ?
F4F C4 F4D 105.4(16) . . ?
F4E C4 F4D 104.4(13) . . ?
F4G C4 F4D 141.2(13) . . ?
F4I C4 F4H 104.2(11) . . ?
F4B C4 F4H 81.3(9) . . ?
F4C C4 F4H 57.1(9) . . ?
F4F C4 F4H 131.4(10) . . ?
F4E C4 F4H 33.1(8) . . ?
F4G C4 F4H 102.5(12) . . ?
F4D C4 F4H 73.2(12) . . ?
F4I C4 C1 116.4(10) . . ?
F4B C4 C1 116.0(9) . . ?
F4C C4 C1 119.5(7) . . ?
F4F C4 C1 116.3(9) . . ?
F4E C4 C1 111.4(10) . . ?
F4G C4 C1 111.2(9) . . ?
F4D C4 C1 106.1(9) . . ?
F4H C4 C1 110.3(8) . . ?
F4I C4 F4A 41.6(9) . . ?
F4B C4 F4A 100.2(8) . . ?
F4C C4 F4A 89.9(9) . . ?
F4F C4 F4A 33.5(9) . . ?
F4E C4 F4A 141.1(9) . . ?
F4G C4 F4A 81.3(10) . . ?
F4D C4 F4A 79.9(12) . . ?
F4H C4 F4A 140.9(9) . . ?
C1 C4 F4A 104.0(7) . . ?
F5C C5 F5B 106.7(5) . . ?
F5C C5 F5A 107.1(5) . . ?
F5B C5 F5A 106.5(5) . . ?
F5C C5 C3 111.2(5) . . ?
F5B C5 C3 111.3(5) . . ?
F5A C5 C3 113.6(5) . . ?
C6 O3 Li2 133.0(4) . . ?
C6 O3 Li1 129.4(4) . . ?
Li2 O3 Li1 94.2(4) . . ?
C8 O4 Li1 127.7(4) . . ?
O3 C6 C7 127.7(5) . . ?
O3 C6 C9 116.5(4) . . ?
C7 C6 C9 115.6(4) . . ?
C6 C7 C8 120.7(5) . . ?
O4 C8 C7 128.3(5) . . ?
O4 C8 C10 116.3(5) . . ?
C7 C8 C10 115.4(4) . . ?
F9C C9 F9A 107.4(4) . . ?
F9C C9 F9B 106.1(4) . . ?
F9A C9 F9B 105.1(5) . . ?
F9C C9 C6 115.3(4) . . ?
F9A C9 C6 111.5(4) . . ?
F9B C9 C6 110.9(4) . . ?
F10A C10 F10C 107.8(6) . . ?
F10A C10 F10B 106.7(5) . . ?
F10C C10 F10B 106.8(5) . . ?
F10A C10 C8 111.5(5) . . ?
F10C C10 C8 112.2(5) . . ?
F10B C10 C8 111.5(5) . . ?
C12 O5 C11 112.3(5) . . ?
C12 O5 Li2 111.3(4) . . ?
C11 O5 Li2 119.5(4) . . ?
C14 O6 C13 114.5(4) . . ?
C14 O6 Li2 110.8(4) . . ?
C13 O6 Li2 112.3(4) . . ?
C16 O7 C15 112.3(4) . . ?
C16 O7 Li2 119.2(4) . . ?
C15 O7 Li2 112.0(4) . . ?
O5 C12 C13 106.4(5) . . ?
O6 C13 C12 106.5(4) . . ?
O6 C14 C15 106.4(4) . . ?
O7 C15 C14 106.2(4) . . ?

_diffrn_measured_fraction_theta_max 0.931
_diffrn_reflns_theta_full        67.50
_diffrn_measured_fraction_theta_full 0.988
_refine_diff_density_max         0.464
_refine_diff_density_min         -0.463
_refine_diff_density_rms         0.103
####################################################################### 
# 
# 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_[Li(hfa)]12-monoglyme-4H2O
_database_code_depnum_ccdc_archive 'CCDC 1957324'
loop_
_audit_author_name
_audit_author_address
'Patrizia Rossi'
;Universita degli Studi di Firenze
Italy
;
_audit_update_record             
;
2019-10-03 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;

# start Validation Reply Form
_vrf_THETM01_Lihfa12-monoglyme-4H2O 
;
PROBLEM: The value of sine(theta_max)/wavelength is less than 0.575
RESPONSE: Data were collected using the best possible crystal we have found, 
using low temperature and Cu radiation

;
_vrf_PLAT097_Lihfa12-monoglyme-4H2O 
;
PROBLEM: Large Reported Max. (Positive) Residual Density 1.00 eA-3
RESPONSE: The residual density is located near a disordered CF3 group.
The disorder was modelled introducing three position for every F atom.
;
_vrf_PLAT420_Lihfa12-monoglyme-4H2O 
;
PROBLEM: D-H Without Acceptor O1W --H1WA . Please Check
RESPONSE: H1wa is involved in a weak hydrogen bond with a symmetry 
related F10C atom:
 O1W   ...F10C( 1)   H1WA  ...F10C( 1)   O1W   -H1WA  ...F10C( 1)
   3.163(.005)           2.595(.062)           131.27( 5.49)
 ( 1)    x,+y-1,+z
;



_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H15 F36 Li6 O15'
_chemical_formula_weight         1365.08

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li 0.0008 0.0003 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P21/n

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

_cell_length_a                   17.9300(10)
_cell_length_b                   9.2458(5)
_cell_length_c                   30.375(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 103.158(3)
_cell_angle_gamma                90.00
_cell_volume                     4903.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9808
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      60.19

_exptl_crystal_description       prism
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2676
_exptl_absorpt_coefficient_mu    2.073
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.4348
_exptl_absorpt_correction_T_max  0.7518
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 SADABS-2016/2 - Bruker AXS area detector scaling and absorption
 correction
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     1.54184
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            50824
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.63
_diffrn_reflns_theta_max         60.23
_reflns_number_total             7307
_reflns_number_gt                6145
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SIR-2004 (Burla, 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Mercury (Macrae, 2008)'
_computing_publication_material  'Parst97 (Nardelli, 1995)'

_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 > 2σ(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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0581P)²+17.2868P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7307
_refine_ls_number_parameters     820
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0605
_refine_ls_wR_factor_ref         0.1561
_refine_ls_wR_factor_gt          0.1418
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.001
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.6053(4) 0.5514(7) 1.3847(2) 0.0312(14) Uani 1 1 d . . .
Li2 Li 0.5296(4) 0.7351(7) 1.31154(19) 0.0308(14) Uani 1 1 d . . .
Li3 Li 0.4436(4) 0.9014(8) 1.2373(2) 0.0383(16) Uani 1 1 d . . .
Li4 Li 0.4007(4) 0.9616(7) 1.14026(19) 0.0264(13) Uani 1 1 d . . .
Li5 Li 0.3513(3) 1.0157(6) 1.04237(19) 0.0246(13) Uani 1 1 d . . .
Li6 Li 0.2320(3) 0.9987(7) 0.9603(2) 0.0269(13) Uani 1 1 d . . .
O1W O 0.5439(2) 0.3705(4) 1.38073(11) 0.0419(8) Uani 1 1 d . . .
H1WA H 0.562(3) 0.294(7) 1.384(2) 0.063 Uiso 1 1 d . . .
H1WB H 0.517(4) 0.378(7) 1.396(2) 0.063 Uiso 1 1 d . . .
O2W O 0.3882(2) 1.0543(4) 1.26442(11) 0.0546(9) Uani 1 1 d D . .
H2WB H 0.400(3) 1.074(6) 1.2987(5) 0.082 Uiso 1 1 d D . .
H2WA H 0.366(3) 1.142(4) 1.2446(14) 0.082 Uiso 1 1 d D . .
O1 O 0.71286(14) 0.4741(3) 1.39556(8) 0.0258(6) Uani 1 1 d . . .
O2 O 0.60856(14) 0.5879(3) 1.32016(8) 0.0268(6) Uani 1 1 d . . .
C1 C 0.7465(2) 0.4373(4) 1.36523(12) 0.0241(8) Uani 1 1 d . . .
C2 C 0.7225(2) 0.4602(4) 1.31889(12) 0.0296(9) Uani 1 1 d . . .
H2 H 0.7522 0.4220 1.2994 0.035 Uiso 1 1 calc R . .
C3 C 0.6566(2) 0.5371(4) 1.30026(12) 0.0278(8) Uani 1 1 d . . .
C4 C 0.8230(2) 0.3597(4) 1.38324(12) 0.0298(9) Uani 1 1 d . . .
C5 C 0.6418(3) 0.5718(5) 1.24957(14) 0.0438(11) Uani 1 1 d . . .
F4A F 0.86393(14) 0.3415(3) 1.35261(8) 0.0485(7) Uani 1 1 d . . .
F4B F 0.86520(15) 0.4337(3) 1.41744(9) 0.0548(7) Uani 1 1 d . . .
F4C F 0.81192(15) 0.2302(3) 1.39914(9) 0.0529(7) Uani 1 1 d . . .
F5A F 0.66704(15) 0.4689(3) 1.22596(7) 0.0469(6) Uani 1 1 d . . .
F5B F 0.56906(17) 0.5933(5) 1.23168(8) 0.0815(12) Uani 1 1 d . . .
F5C F 0.6792(2) 0.6946(3) 1.24359(9) 0.0666(9) Uani 1 1 d . . .
O3 O 0.62663(14) 0.5774(3) 1.45225(8) 0.0270(6) Uani 1 1 d . . .
O4 O 0.53814(14) 0.7281(3) 1.37692(8) 0.0263(6) Uani 1 1 d . . .
C6 C 0.5903(2) 0.6598(4) 1.47281(12) 0.0259(8) Uani 1 1 d . A .
C7 C 0.5367(2) 0.7653(4) 1.45422(12) 0.0277(8) Uani 1 1 d . . .
H7 H 0.5130 0.8198 1.4738 0.033 Uiso 1 1 calc R . .
C8 C 0.5168(2) 0.7937(4) 1.40811(12) 0.0257(8) Uani 1 1 d . . .
C9 C 0.6088(2) 0.6426(5) 1.52387(13) 0.0319(9) Uani 1 1 d . . .
C10 C 0.4638(3) 0.9227(5) 1.39287(13) 0.0367(10) Uani 1 1 d . . .
F9A F 0.6635(6) 0.5476(13) 1.5408(2) 0.0479(9) Uani 0.34 1 d P A 1
F9B F 0.5415(5) 0.5820(9) 1.5365(2) 0.0479(9) Uani 0.34 1 d P A 1
F9C F 0.6212(6) 0.7575(11) 1.5461(3) 0.0479(9) Uani 0.34 1 d P A 1
F9D F 0.5766(6) 0.5210(10) 1.5349(2) 0.0479(9) Uani 0.33 1 d P A 2
F9E F 0.6864(5) 0.6317(12) 1.5391(2) 0.0479(9) Uani 0.33 1 d P A 2
F9F F 0.5880(6) 0.7560(12) 1.5479(3) 0.0479(9) Uani 0.33 1 d P A 2
F9I F 0.6280(7) 0.5191(10) 1.5386(3) 0.0479(9) Uani 0.33 1 d P A 3
F9G F 0.5656(6) 0.7107(12) 1.5444(3) 0.0479(9) Uani 0.33 1 d P A 3
F9H F 0.6769(5) 0.7265(10) 1.5381(2) 0.0479(9) Uani 0.33 1 d P A 3
F10A F 0.41850(16) 0.9535(3) 1.41991(9) 0.0541(7) Uani 1 1 d . . .
F10B F 0.4205(3) 0.9043(5) 1.35309(11) 0.124(2) Uani 1 1 d . . .
F10C F 0.5029(2) 1.0414(4) 1.3911(2) 0.121(2) Uani 1 1 d . . .
O5 O 0.43158(14) 0.7141(3) 1.26810(8) 0.0273(6) Uani 1 1 d . . .
O6 O 0.35921(14) 0.8444(3) 1.18437(8) 0.0264(6) Uani 1 1 d . . .
C11 C 0.3742(2) 0.6332(4) 1.25701(12) 0.0260(8) Uani 1 1 d . . .
C12 C 0.3121(2) 0.6472(4) 1.22069(12) 0.0265(8) Uani 1 1 d . . .
H12 H 0.2693 0.5852 1.2188 0.032 Uiso 1 1 calc R . .
C13 C 0.3103(2) 0.7497(4) 1.18658(11) 0.0247(8) Uani 1 1 d . . .
C14 C 0.3765(2) 0.5010(5) 1.28764(13) 0.0356(10) Uani 1 1 d . . .
C15 C 0.2437(2) 0.7419(4) 1.14504(12) 0.0264(8) Uani 1 1 d . . .
F14A F 0.31122(15) 0.4263(3) 1.27950(8) 0.0499(7) Uani 1 1 d . . .
F14B F 0.43144(17) 0.4086(3) 1.28147(10) 0.0559(7) Uani 1 1 d . . .
F14C F 0.39340(15) 0.5358(3) 1.33100(7) 0.0475(7) Uani 1 1 d . . .
F15A F 0.26396(13) 0.6639(3) 1.11249(7) 0.0371(5) Uani 1 1 d . . .
F15B F 0.18092(12) 0.6791(3) 1.15332(7) 0.0337(5) Uani 1 1 d . . .
F15C F 0.22358(13) 0.8722(2) 1.12837(7) 0.0378(6) Uani 1 1 d . . .
O7 O 0.54665(14) 0.9112(3) 1.28017(8) 0.0285(6) Uani 1 1 d . . .
O8 O 0.48607(14) 1.0090(3) 1.19106(8) 0.0266(6) Uani 1 1 d . . .
C16 C 0.5973(2) 1.0010(4) 1.27741(12) 0.0253(8) Uani 1 1 d . . .
C17 C 0.6015(2) 1.0874(4) 1.24012(12) 0.0281(8) Uani 1 1 d . . .
H17 H 0.6437 1.1514 1.2424 0.034 Uiso 1 1 calc R . .
C18 C 0.5461(2) 1.0823(4) 1.19987(12) 0.0251(8) Uani 1 1 d . . .
C19 C 0.6613(2) 1.0160(5) 1.32011(12) 0.0336(9) Uani 1 1 d . . .
C20 C 0.5586(2) 1.1810(5) 1.16150(13) 0.0345(10) Uani 1 1 d . . .
F19A F 0.71899(14) 1.0964(3) 1.31562(8) 0.0489(7) Uani 1 1 d . . .
F19B F 0.63410(16) 1.0727(5) 1.35301(9) 0.0953(15) Uani 1 1 d . . .
F19C F 0.6903(2) 0.8884(3) 1.33414(11) 0.0830(12) Uani 1 1 d . . .
F20A F 0.53071(15) 1.3123(3) 1.16581(10) 0.0544(7) Uani 1 1 d . . .
F20B F 0.63159(13) 1.1972(3) 1.16081(8) 0.0443(6) Uani 1 1 d . . .
F20C F 0.52236(16) 1.1297(3) 1.12122(8) 0.0574(8) Uani 1 1 d . . .
O9 O 0.33849(14) 1.1085(3) 1.10111(8) 0.0235(5) Uani 1 1 d . . .
O10 O 0.26301(14) 1.1399(3) 1.00889(8) 0.0243(5) Uani 1 1 d . . .
C21 C 0.2959(2) 1.2133(4) 1.10444(12) 0.0243(8) Uani 1 1 d . . .
C22 C 0.2467(2) 1.2883(4) 1.06994(12) 0.0261(8) Uani 1 1 d . . .
H22 H 0.2220 1.3729 1.0773 0.031 Uiso 1 1 calc R . .
C23 C 0.2325(2) 1.2431(4) 1.02481(12) 0.0233(8) Uani 1 1 d . . .
C24 C 0.2977(2) 1.2596(4) 1.15327(12) 0.0266(8) Uani 1 1 d . . .
C25 C 0.1699(2) 1.3233(4) 0.99116(12) 0.0281(8) Uani 1 1 d . . .
F24A F 0.2544(2) 1.3717(3) 1.15676(8) 0.0681(10) Uani 1 1 d . . .
F24B F 0.2745(2) 1.1533(3) 1.17569(9) 0.0683(9) Uani 1 1 d . . .
F24C F 0.36701(16) 1.2916(4) 1.17573(8) 0.0689(10) Uani 1 1 d . . .
F25A F 0.16660(15) 1.4636(3) 1.00055(8) 0.0457(6) Uani 1 1 d . . .
F25B F 0.10090(13) 1.2678(3) 0.99143(8) 0.0478(7) Uani 1 1 d . . .
F25C F 0.17825(13) 1.3120(3) 0.94891(7) 0.0358(5) Uani 1 1 d . . .
O11 O 0.39937(14) 0.8535(3) 1.08388(8) 0.0238(5) Uani 1 1 d . . .
O12 O 0.30981(14) 0.8683(3) 0.99439(8) 0.0248(6) Uani 1 1 d . . .
C26 C 0.4051(2) 0.7246(4) 1.07223(12) 0.0241(8) Uani 1 1 d . . .
C27 C 0.3735(2) 0.6609(4) 1.03063(12) 0.0254(8) Uani 1 1 d . . .
H27 H 0.3834 0.5615 1.0264 0.030 Uiso 1 1 calc R . .
C28 C 0.3281(2) 0.7371(4) 0.99511(11) 0.0231(8) Uani 1 1 d . . .
C29 C 0.4543(2) 0.6259(4) 1.10824(13) 0.0306(9) Uani 1 1 d . . .
C30 C 0.2979(2) 0.6561(4) 0.95050(12) 0.0300(9) Uani 1 1 d . . .
F29A F 0.41670(15) 0.5056(3) 1.11416(9) 0.0521(7) Uani 1 1 d . . .
F29B F 0.51680(14) 0.5823(3) 1.09491(8) 0.0471(6) Uani 1 1 d . . .
F29C F 0.47747(16) 0.6900(3) 1.14755(7) 0.0496(7) Uani 1 1 d . . .
F30A F 0.33304(19) 0.7043(3) 0.91945(8) 0.0665(9) Uani 1 1 d . . .
F30B F 0.22354(14) 0.6784(3) 0.93494(8) 0.0490(7) Uani 1 1 d . . .
F30C F 0.30828(15) 0.5147(3) 0.95364(8) 0.0471(6) Uani 1 1 d . . .
O1G O 0.43743(14) 1.1194(3) 1.02234(8) 0.0237(5) Uani 1 1 d . . .
C1G C 0.4354(2) 1.2732(4) 1.02641(14) 0.0313(9) Uani 1 1 d . . .
H1G1 H 0.3919 1.3010 1.0392 0.047 Uiso 1 1 calc R . .
H1G2 H 0.4297 1.3174 0.9965 0.047 Uiso 1 1 calc R . .
H1G3 H 0.4831 1.3069 1.0464 0.047 Uiso 1 1 calc R . .
C2G C 0.5011(2) 1.0792(4) 1.00370(13) 0.0273(8) Uani 1 1 d . . .
H2G1 H 0.5497 1.1068 1.0248 0.033 Uiso 1 1 calc R . .
H2G2 H 0.4981 1.1302 0.9747 0.033 Uiso 1 1 calc R . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Li1 O1W 1.991(8) . ?
Li1 O2 2.003(6) . ?
Li1 O4 2.012(7) . ?
Li1 O1 2.012(7) . ?
Li1 O3 2.015(6) . ?
Li1 Li6 2.877(8) 4_676 ?
Li1 Li2 2.880(8) . ?
Li2 O2 1.938(7) . ?
Li2 O7 1.946(7) . ?
Li2 O5 1.952(7) . ?
Li2 O4 1.958(6) . ?
Li2 Li3 2.871(9) . ?
Li3 O5 2.003(7) . ?
Li3 O7 2.006(7) . ?
Li3 O8 2.007(7) . ?
Li3 O2W 2.010(8) . ?
Li3 O6 2.011(7) . ?
Li3 Li4 2.925(9) . ?
Li4 O8 1.960(6) . ?
Li4 O9 1.974(6) . ?
Li4 O11 1.978(6) . ?
Li4 O6 1.994(6) . ?
Li4 Li5 2.946(8) . ?
Li5 O12 2.011(6) . ?
Li5 O11 2.022(6) . ?
Li5 O1G 2.025(7) . ?
Li5 O10 2.031(6) . ?
Li5 O9 2.039(6) . ?
Li5 Li6 2.896(8) . ?
Li6 O1 1.934(6) 4_575 ?
Li6 O12 1.953(6) . ?
Li6 O10 1.954(7) . ?
Li6 O3 1.979(7) 4_575 ?
Li6 Li1 2.877(8) 4_575 ?
O1 C1 1.258(4) . ?
O1 Li6 1.934(6) 4_676 ?
O2 C3 1.251(5) . ?
C1 C2 1.391(5) . ?
C1 C4 1.534(5) . ?
C2 C3 1.385(6) . ?
C3 C5 1.536(5) . ?
C4 F4A 1.321(4) . ?
C4 F4C 1.323(5) . ?
C4 F4B 1.328(5) . ?
C5 F5B 1.309(5) . ?
C5 F5A 1.331(5) . ?
C5 F5C 1.352(6) . ?
O3 C6 1.258(5) . ?
O3 Li6 1.979(7) 4_676 ?
O4 C8 1.256(4) . ?
C6 C7 1.395(5) . ?
C6 C9 1.519(5) . ?
C7 C8 1.389(5) . ?
C8 C10 1.530(6) . ?
C9 F9I 1.246(10) . ?
C9 F9C 1.251(11) . ?
C9 F9G 1.266(11) . ?
C9 F9A 1.330(10) . ?
C9 F9D 1.341(10) . ?
C9 F9E 1.367(10) . ?
C9 F9F 1.377(12) . ?
C9 F9H 1.428(10) . ?
C9 F9B 1.458(10) . ?
C10 F10B 1.290(5) . ?
C10 F10C 1.310(6) . ?
C10 F10A 1.311(5) . ?
O5 C11 1.255(5) . ?
O6 C13 1.251(5) . ?
C11 C12 1.384(5) . ?
C11 C14 1.531(5) . ?
C12 C13 1.399(5) . ?
C13 C15 1.529(5) . ?
C14 F14C 1.323(5) . ?
C14 F14A 1.333(5) . ?
C14 F14B 1.349(5) . ?
C15 F15C 1.324(4) . ?
C15 F15A 1.339(4) . ?
C15 F15B 1.341(4) . ?
O7 C16 1.246(5) . ?
O8 C18 1.248(5) . ?
C16 C17 1.402(5) . ?
C16 C19 1.530(5) . ?
C17 C18 1.390(5) . ?
C18 C20 1.536(5) . ?
C19 F19A 1.307(5) . ?
C19 F19B 1.316(5) . ?
C19 F19C 1.320(5) . ?
C20 F20B 1.323(5) . ?
C20 F20A 1.330(5) . ?
C20 F20C 1.335(5) . ?
O9 C21 1.252(4) . ?
O10 C23 1.251(4) . ?
C21 C22 1.391(5) . ?
C21 C24 1.537(5) . ?
C22 C23 1.400(5) . ?
C23 C25 1.527(5) . ?
C24 F24C 1.308(5) . ?
C24 F24A 1.314(5) . ?
C24 F24B 1.316(5) . ?
C25 F25C 1.330(4) . ?
C25 F25A 1.333(5) . ?
C25 F25B 1.341(5) . ?
O11 C26 1.255(4) . ?
O12 C28 1.255(4) . ?
C26 C27 1.392(5) . ?
C26 C29 1.539(5) . ?
C27 C28 1.387(5) . ?
C28 C30 1.535(5) . ?
C29 F29C 1.313(5) . ?
C29 F29A 1.334(5) . ?
C29 F29B 1.338(5) . ?
C30 F30C 1.321(5) . ?
C30 F30A 1.324(5) . ?
C30 F30B 1.326(5) . ?
O1G C1G 1.429(5) . ?
O1G C2G 1.434(4) . ?
C2G C2G 1.482(8) 3_677 ?

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
O1W Li1 O2 102.8(3) . . ?
O1W Li1 O4 111.5(3) . . ?
O2 Li1 O4 84.2(3) . . ?
O1W Li1 O1 102.0(3) . . ?
O2 Li1 O1 88.9(3) . . ?
O4 Li1 O1 146.4(4) . . ?
O1W Li1 O3 97.8(3) . . ?
O2 Li1 O3 159.3(4) . . ?
O4 Li1 O3 89.6(3) . . ?
O1 Li1 O3 85.6(3) . . ?
O1W Li1 Li6 103.8(3) . 4_676 ?
O2 Li1 Li6 127.9(3) . 4_676 ?
O4 Li1 Li6 124.6(3) . 4_676 ?
O1 Li1 Li6 42.13(18) . 4_676 ?
O3 Li1 Li6 43.43(19) . 4_676 ?
O1W Li1 Li2 107.0(3) . . ?
O2 Li1 Li2 42.19(19) . . ?
O4 Li1 Li2 42.76(19) . . ?
O1 Li1 Li2 127.0(3) . . ?
O3 Li1 Li2 131.5(3) . . ?
Li6 Li1 Li2 149.2(3) 4_676 . ?
O2 Li2 O7 117.5(4) . . ?
O2 Li2 O5 122.6(3) . . ?
O7 Li2 O5 88.3(3) . . ?
O2 Li2 O4 87.3(3) . . ?
O7 Li2 O4 122.7(3) . . ?
O5 Li2 O4 122.2(4) . . ?
O2 Li2 Li3 136.7(3) . . ?
O7 Li2 Li3 44.2(2) . . ?
O5 Li2 Li3 44.2(2) . . ?
O4 Li2 Li3 135.9(3) . . ?
O2 Li2 Li1 43.93(19) . . ?
O7 Li2 Li1 140.6(3) . . ?
O5 Li2 Li1 131.0(3) . . ?
O4 Li2 Li1 44.24(19) . . ?
Li3 Li2 Li1 175.2(3) . . ?
O5 Li3 O7 85.2(3) . . ?
O5 Li3 O8 148.6(4) . . ?
O7 Li3 O8 89.5(3) . . ?
O5 Li3 O2W 107.5(3) . . ?
O7 Li3 O2W 99.8(3) . . ?
O8 Li3 O2W 103.9(4) . . ?
O5 Li3 O6 90.3(3) . . ?
O7 Li3 O6 160.9(5) . . ?
O8 Li3 O6 84.7(3) . . ?
O2W Li3 O6 99.2(3) . . ?
O5 Li3 Li2 42.8(2) . . ?
O7 Li3 Li2 42.6(2) . . ?
O8 Li3 Li2 126.4(3) . . ?
O2W Li3 Li2 106.4(3) . . ?
O6 Li3 Li2 131.2(4) . . ?
O5 Li3 Li4 127.1(3) . . ?
O7 Li3 Li4 129.6(3) . . ?
O8 Li3 Li4 41.86(19) . . ?
O2W Li3 Li4 103.8(3) . . ?
O6 Li3 Li4 42.87(19) . . ?
Li2 Li3 Li4 149.8(3) . . ?
O8 Li4 O9 123.6(3) . . ?
O8 Li4 O11 130.4(3) . . ?
O9 Li4 O11 86.1(2) . . ?
O8 Li4 O6 86.4(2) . . ?
O9 Li4 O6 122.2(3) . . ?
O11 Li4 O6 112.0(3) . . ?
O8 Li4 Li3 43.11(19) . . ?
O9 Li4 Li3 136.1(3) . . ?
O11 Li4 Li3 136.5(3) . . ?
O6 Li4 Li3 43.32(19) . . ?
O8 Li4 Li5 139.3(3) . . ?
O9 Li4 Li5 43.64(17) . . ?
O11 Li4 Li5 43.15(17) . . ?
O6 Li4 Li5 134.3(3) . . ?
Li3 Li4 Li5 177.6(3) . . ?
O12 Li5 O11 89.1(3) . . ?
O12 Li5 O1G 106.5(3) . . ?
O11 Li5 O1G 107.0(3) . . ?
O12 Li5 O10 84.4(2) . . ?
O11 Li5 O10 154.8(4) . . ?
O1G Li5 O10 98.2(3) . . ?
O12 Li5 O9 145.4(3) . . ?
O11 Li5 O9 83.3(2) . . ?
O1G Li5 O9 108.0(3) . . ?
O10 Li5 O9 88.3(2) . . ?
O12 Li5 Li6 42.29(18) . . ?
O11 Li5 Li6 128.6(3) . . ?
O1G Li5 Li6 103.4(3) . . ?
O10 Li5 Li6 42.35(18) . . ?
O9 Li5 Li6 124.6(3) . . ?
O12 Li5 Li4 126.4(3) . . ?
O11 Li5 Li4 42.00(18) . . ?
O1G Li5 Li4 108.0(3) . . ?
O10 Li5 Li4 128.5(3) . . ?
O9 Li5 Li4 41.94(18) . . ?
Li6 Li5 Li4 148.6(3) . . ?
O1 Li6 O12 124.0(3) 4_575 . ?
O1 Li6 O10 129.5(3) 4_575 . ?
O12 Li6 O10 88.1(2) . . ?
O1 Li6 O3 88.7(3) 4_575 4_575 ?
O12 Li6 O3 113.1(3) . 4_575 ?
O10 Li6 O3 115.5(3) . 4_575 ?
O1 Li6 Li1 44.27(19) 4_575 4_575 ?
O12 Li6 Li1 131.5(3) . 4_575 ?
O10 Li6 Li1 138.4(3) . 4_575 ?
O3 Li6 Li1 44.41(18) 4_575 4_575 ?
O1 Li6 Li5 142.6(3) 4_575 . ?
O12 Li6 Li5 43.85(18) . . ?
O10 Li6 Li5 44.45(18) . . ?
O3 Li6 Li5 128.5(3) 4_575 . ?
Li1 Li6 Li5 172.0(3) 4_575 . ?
C1 O1 Li6 140.9(3) . 4_676 ?
C1 O1 Li1 125.3(3) . . ?
Li6 O1 Li1 93.6(3) 4_676 . ?
C3 O2 Li2 139.5(3) . . ?
C3 O2 Li1 125.9(3) . . ?
Li2 O2 Li1 93.9(3) . . ?
O1 C1 C2 127.6(3) . . ?
O1 C1 C4 113.9(3) . . ?
C2 C1 C4 118.6(3) . . ?
C3 C2 C1 122.1(4) . . ?
O2 C3 C2 127.8(3) . . ?
O2 C3 C5 115.2(3) . . ?
C2 C3 C5 117.0(3) . . ?
F4A C4 F4C 107.2(3) . . ?
F4A C4 F4B 107.9(3) . . ?
F4C C4 F4B 106.7(3) . . ?
F4A C4 C1 113.8(3) . . ?
F4C C4 C1 111.0(3) . . ?
F4B C4 C1 110.0(3) . . ?
F5B C5 F5A 108.3(4) . . ?
F5B C5 F5C 107.2(4) . . ?
F5A C5 F5C 106.7(4) . . ?
F5B C5 C3 112.1(4) . . ?
F5A C5 C3 112.9(4) . . ?
F5C C5 C3 109.4(4) . . ?
C6 O3 Li6 138.0(3) . 4_676 ?
C6 O3 Li1 125.4(3) . . ?
Li6 O3 Li1 92.2(3) 4_676 . ?
C8 O4 Li2 141.5(3) . . ?
C8 O4 Li1 125.5(3) . . ?
Li2 O4 Li1 93.0(3) . . ?
O3 C6 C7 127.6(3) . . ?
O3 C6 C9 115.2(3) . . ?
C7 C6 C9 117.2(3) . . ?
C8 C7 C6 122.4(3) . . ?
O4 C8 C7 128.1(3) . . ?
O4 C8 C10 115.0(3) . . ?
C7 C8 C10 116.9(3) . . ?
F9I C9 F9C 125.7(6) . . ?
F9I C9 F9G 115.4(7) . . ?
F9C C9 F9G 50.7(5) . . ?
F9I C9 F9A 30.3(6) . . ?
F9C C9 F9A 109.1(6) . . ?
F9G C9 F9A 128.2(6) . . ?
F9I C9 F9D 40.6(5) . . ?
F9C C9 F9D 127.7(6) . . ?
F9G C9 F9D 87.0(7) . . ?
F9A C9 F9D 70.8(7) . . ?
F9I C9 F9E 68.5(7) . . ?
F9C C9 F9E 80.7(6) . . ?
F9G C9 F9E 124.1(6) . . ?
F9A C9 F9E 38.4(5) . . ?
F9D C9 F9E 108.5(7) . . ?
F9I C9 F9F 126.4(6) . . ?
F9C C9 F9F 26.3(5) . . ?
F9G C9 F9F 24.6(6) . . ?
F9A C9 F9F 124.3(6) . . ?
F9D C9 F9F 108.8(6) . . ?
F9E C9 F9F 104.8(6) . . ?
F9I C9 F9H 104.0(7) . . ?
F9C C9 F9H 48.8(5) . . ?
F9G C9 F9H 99.1(6) . . ?
F9A C9 F9H 74.8(6) . . ?
F9D C9 F9H 140.1(6) . . ?
F9E C9 F9H 37.2(5) . . ?
F9F C9 F9H 75.1(6) . . ?
F9I C9 F9B 74.4(6) . . ?
F9C C9 F9B 103.9(6) . . ?
F9G C9 F9B 55.0(6) . . ?
F9A C9 F9B 103.1(7) . . ?
F9D C9 F9B 35.2(4) . . ?
F9E C9 F9B 136.3(6) . . ?
F9F C9 F9B 79.3(6) . . ?
F9H C9 F9B 146.2(5) . . ?
F9I C9 C6 116.1(5) . . ?
F9C C9 C6 115.7(5) . . ?
F9G C9 C6 115.7(5) . . ?
F9A C9 C6 115.7(4) . . ?
F9D C9 C6 109.6(4) . . ?
F9E C9 C6 108.8(4) . . ?
F9F C9 C6 116.1(5) . . ?
F9H C9 C6 103.0(4) . . ?
F9B C9 C6 107.8(4) . . ?
F10B C10 F10C 106.6(5) . . ?
F10B C10 F10A 106.8(4) . . ?
F10C C10 F10A 104.9(4) . . ?
F10B C10 C8 112.4(4) . . ?
F10C C10 C8 111.3(4) . . ?
F10A C10 C8 114.2(3) . . ?
C11 O5 Li2 142.9(3) . . ?
C11 O5 Li3 124.0(3) . . ?
Li2 O5 Li3 93.1(3) . . ?
C13 O6 Li4 142.1(3) . . ?
C13 O6 Li3 123.3(3) . . ?
Li4 O6 Li3 93.8(3) . . ?
O5 C11 C12 128.3(3) . . ?
O5 C11 C14 114.0(3) . . ?
C12 C11 C14 117.7(3) . . ?
C11 C12 C13 122.2(4) . . ?
O6 C13 C12 128.0(3) . . ?
O6 C13 C15 114.4(3) . . ?
C12 C13 C15 117.5(3) . . ?
F14C C14 F14A 107.7(3) . . ?
F14C C14 F14B 106.5(3) . . ?
F14A C14 F14B 106.5(3) . . ?
F14C C14 C11 112.3(3) . . ?
F14A C14 C11 113.6(3) . . ?
F14B C14 C11 109.9(3) . . ?
F15C C15 F15A 107.7(3) . . ?
F15C C15 F15B 107.4(3) . . ?
F15A C15 F15B 106.6(3) . . ?
F15C C15 C13 111.5(3) . . ?
F15A C15 C13 110.0(3) . . ?
F15B C15 C13 113.4(3) . . ?
C16 O7 Li2 142.0(3) . . ?
C16 O7 Li3 124.3(3) . . ?
Li2 O7 Li3 93.2(3) . . ?
C18 O8 Li4 140.4(3) . . ?
C18 O8 Li3 124.4(3) . . ?
Li4 O8 Li3 95.0(3) . . ?
O7 C16 C17 127.5(3) . . ?
O7 C16 C19 114.9(3) . . ?
C17 C16 C19 117.7(3) . . ?
C18 C17 C16 122.1(4) . . ?
O8 C18 C17 128.1(3) . . ?
O8 C18 C20 115.3(3) . . ?
C17 C18 C20 116.6(3) . . ?
F19A C19 F19B 106.9(4) . . ?
F19A C19 F19C 106.2(4) . . ?
F19B C19 F19C 107.3(4) . . ?
F19A C19 C16 115.0(3) . . ?
F19B C19 C16 110.1(3) . . ?
F19C C19 C16 110.9(3) . . ?
F20B C20 F20A 107.1(3) . . ?
F20B C20 F20C 107.6(3) . . ?
F20A C20 F20C 107.4(3) . . ?
F20B C20 C18 113.3(3) . . ?
F20A C20 C18 110.1(3) . . ?
F20C C20 C18 111.1(3) . . ?
C21 O9 Li4 139.0(3) . . ?
C21 O9 Li5 126.0(3) . . ?
Li4 O9 Li5 94.4(3) . . ?
C23 O10 Li6 136.7(3) . . ?
C23 O10 Li5 126.7(3) . . ?
Li6 O10 Li5 93.2(3) . . ?
O9 C21 C22 128.2(3) . . ?
O9 C21 C24 114.4(3) . . ?
C22 C21 C24 117.3(3) . . ?
C21 C22 C23 122.1(3) . . ?
O10 C23 C22 127.5(3) . . ?
O10 C23 C25 115.5(3) . . ?
C22 C23 C25 116.9(3) . . ?
F24C C24 F24A 106.7(3) . . ?
F24C C24 F24B 105.9(3) . . ?
F24A C24 F24B 106.5(3) . . ?
F24C C24 C21 112.1(3) . . ?
F24A C24 C21 114.5(3) . . ?
F24B C24 C21 110.6(3) . . ?
F25C C25 F25A 107.6(3) . . ?
F25C C25 F25B 106.4(3) . . ?
F25A C25 F25B 106.6(3) . . ?
F25C C25 C23 112.4(3) . . ?
F25A C25 C23 113.0(3) . . ?
F25B C25 C23 110.4(3) . . ?
C26 O11 Li4 137.6(3) . . ?
C26 O11 Li5 125.4(3) . . ?
Li4 O11 Li5 94.9(3) . . ?
C28 O12 Li6 139.3(3) . . ?
C28 O12 Li5 126.2(3) . . ?
Li6 O12 Li5 93.9(3) . . ?
O11 C26 C27 128.0(3) . . ?
O11 C26 C29 115.7(3) . . ?
C27 C26 C29 116.3(3) . . ?
C28 C27 C26 122.4(3) . . ?
O12 C28 C27 127.6(3) . . ?
O12 C28 C30 114.7(3) . . ?
C27 C28 C30 117.7(3) . . ?
F29C C29 F29A 108.6(3) . . ?
F29C C29 F29B 107.3(3) . . ?
F29A C29 F29B 105.9(3) . . ?
F29C C29 C26 113.0(3) . . ?
F29A C29 C26 111.4(3) . . ?
F29B C29 C26 110.3(3) . . ?
F30C C30 F30A 107.6(3) . . ?
F30C C30 F30B 107.0(3) . . ?
F30A C30 F30B 107.2(3) . . ?
F30C C30 C28 113.8(3) . . ?
F30A C30 C28 109.6(3) . . ?
F30B C30 C28 111.3(3) . . ?
C1G O1G C2G 109.3(3) . . ?
C1G O1G Li5 114.1(3) . . ?
C2G O1G Li5 136.6(3) . . ?
O1G C2G C2G 108.7(4) . 3_677 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        60.23
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.999
_refine_diff_density_min         -0.728
_refine_diff_density_rms         0.081
