#------------------------------------------------------------------------------
#$Date: 2020-02-04 22:32:20 +0200 (Tue, 04 Feb 2020) $
#$Revision: 247710 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/31/7703177.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_7703177
loop_
_publ_author_name
'Peddagopu, Nishant'
'Rossi, Patrizia'
'Bonaccorso, Carmela'
'Bartasyte, Ausrine'
'Paoli, Paola'
'Malandrino, Graziella'
_publ_section_title
;
 Facile synthesis of novel lithium β-diketonate glyme adducts: the effect
 of molecular engineering on the thermal properties.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1002
_journal_page_last               1006
_journal_paper_doi               10.1039/c9dt04732h
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C32 H15 F36 Li6 O15'
_chemical_formula_weight         1365.08
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2019-10-03 deposited with the CCDC.	2020-01-03 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 103.158(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.9300(10)
_cell_length_b                   9.2458(5)
_cell_length_c                   30.375(2)
_cell_measurement_reflns_used    9808
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      60.19
_cell_measurement_theta_min      2.99
_cell_volume                     4903.3(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Mercury (Macrae, 2008)'
_computing_publication_material  'Parst97 (Nardelli, 1995)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-2004 (Burla, 2005)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0671
_diffrn_reflns_av_sigmaI/netI    0.0406
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            50824
_diffrn_reflns_theta_full        60.23
_diffrn_reflns_theta_max         60.23
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    2.073
_exptl_absorpt_correction_T_max  0.7518
_exptl_absorpt_correction_T_min  0.4348
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2676
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.999
_refine_diff_density_min         -0.728
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     820
_refine_ls_number_reflns         7307
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0605
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0581P)²+17.2868P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1418
_refine_ls_wR_factor_ref         0.1561
_reflns_number_gt                6145
_reflns_number_total             7307
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            c9dt04732h2.cif
_cod_data_source_block           '[Li(hfa)]12-monoglyme-4H2O'
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7703176--7703177.cif.
;
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7703177
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'
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 . .
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'
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
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
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
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
