#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:11:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179049 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/11/4301165.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_4301165
loop_
_publ_author_name
'Marco W. Bouwkamp'
'Auke Meetsma'
_publ_contact_author_address
;
  Crystal Structure Center, Chemical Physics,
  Zernike Institute for Advanced Materials,
  University of Groningen,
  Nijenborgh 4,
  NL-9747 AG Groningen, The Netherlands.
;
_publ_contact_author_email       A.Meetsma@rug.nl
_publ_contact_author_fax         '+31 50 3634441'
_publ_contact_author_name
;
  Drs. A. Meetsma
;
_publ_contact_author_phone       '+31 50 3634368'
_publ_section_title
;
Pentaarylfullerenes as Noncoordinating Cyclopentadienyl Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8
_journal_page_last               9
_journal_paper_doi               10.1021/ic802034m
_journal_volume                  48
_journal_year                    2009
_chemical_compound_source        'see text'
_chemical_formula_moiety         'C105 H55, C16 H32 Li O4'
_chemical_formula_sum            'C121 H87 Li O4'
_chemical_formula_weight         1611.96
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_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   direct
_audit_creation_date             '2007-08-09  08:40:20'
_audit_creation_method
;
 PLATON <TABLE ACC> option    (version :: 250307)
 SHELXL97-2 & Manual Editing
;
_audit_update_record
;
?

2008-09-24 # Formatted by publCIF
;
_cell_angle_alpha                90
_cell_angle_beta                 91.0674(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.3757(14)
_cell_length_b                   18.0389(18)
_cell_length_c                   30.883(3)
_cell_measurement_reflns_used    9980
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      26.33
_cell_measurement_theta_min      2.46
_cell_volume                     8007.2(14)
_computing_cell_refinement       'SAINT-Plus, Version 6.45, (Bruker, 2006)'
_computing_data_collection       'SMART, Version 5.632, (Bruker, 2006)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics
;
 PLATON (Spek, 2003)
 PLUTO (Meetsma, 2007)
;
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
 SIR2004 (Burla et al., 2005)
;
_diffrn_ambient_temperature      100(1)
_diffrn_detector_area_resol_mean 66.06
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
  Bruker Smart Apex; CCD area detector
;
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_detector
;
  CCD area-detector
;
_diffrn_radiation_monochromator  'parallel mounted graphite'
_diffrn_radiation_source         'fine focus sealed Siemens Mo tube '
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1081
_diffrn_reflns_av_sigmaI/netI    0.1155
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            49016
_diffrn_reflns_reduction_process
;
 Intensity data were corrected for Lorentz and polarization
  effects, decay and absorption and reduced to F~o~^2^
  using SAINT-Plus & SADABS (Bruker, 2006).
;
_diffrn_reflns_theta_full        24.11
_diffrn_reflns_theta_max         24.11
_diffrn_reflns_theta_min         2.46
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.9828
_exptl_absorpt_correction_T_min  0.9597
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, (Bruker, 2006))'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.337
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3392
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.592
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.896
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1140
_refine_ls_number_reflns         12730
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.896
_refine_ls_R_factor_all          0.1386
_refine_ls_R_factor_gt           0.0617
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0962P)²+0.0P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1517
_refine_ls_wR_factor_ref         0.1841
_reflns_number_gt                6269
_reflns_number_total             12730
_reflns_threshold_expression     I>2σ(I)
_cod_duplicate_entry             4301160
_cod_data_source_file            ic802034m_si_003.cif
_cod_data_source_block           DATNAM
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        8007.3(14)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4301165
#BEGIN Tags that were not found in dictionaries:
_vrn_publ_code_void_volume       95.1
_vrn_publ_code_frame_time_sec    20.0
_vrn_publ_code_meas_time_hour    12.7
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_thermal_displace_type
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
_atom_site_calc_flag
_atom_site_refinement_flags
O11 O Uani 0.5088(2) 0.22143(17) 0.28736(9) 1.000 0.0559(11) . .
O12 O Uani 0.65481(19) 0.11181(15) 0.32454(9) 1.000 0.0529(11) . .
O13 O Uani 0.4710(2) 0.12666(18) 0.37179(9) 1.000 0.0584(11) . .
O14 O Uani 0.6102(2) 0.2680(2) 0.36603(10) 1.000 0.0740(14) . .
C11 C Uani 0.4402(3) 0.2801(3) 0.28901(15) 1.000 0.0667(19) . .
C12 C Uani 0.3702(3) 0.2594(3) 0.25530(15) 1.000 0.0675(19) . .
C13 C Uani 0.4254(3) 0.2181(2) 0.22090(13) 1.000 0.0441(17) . .
C14 C Uani 0.5193(3) 0.2022(2) 0.24231(12) 1.000 0.0427(16) . .
C15 C Uani 0.7386(3) 0.1320(2) 0.30400(14) 1.000 0.0507(17) . .
C16 C Uani 0.8163(3) 0.0924(3) 0.32631(16) 1.000 0.0645(19) . .
C17 C Uani 0.7694(3) 0.0392(3) 0.35775(14) 1.000 0.0539(17) . .
C18 C Uani 0.6714(3) 0.0386(3) 0.34140(15) 1.000 0.0596(17) . .
C19 C Uani 0.4540(3) 0.1266(3) 0.41716(13) 1.000 0.0519(17) . .
C110 C Uani 0.3842(3) 0.0657(3) 0.42487(16) 1.000 0.068(2) . .
C111 C Uani 0.3318(3) 0.0612(3) 0.38174(18) 1.000 0.070(2) . .
C112 C Uani 0.4036(4) 0.0821(4) 0.34990(18) 1.000 0.092(3) . .
C113 C Uani 0.6572(4) 0.3271(3) 0.34220(17) 1.000 0.072(2) . .
C114 C Uani 0.7559(5) 0.3276(3) 0.3584(2) 1.000 0.108(3) . .
C115 C Uani 0.7437(8) 0.2949(5) 0.4034(3) 1.000 0.234(6) . .
C116 C Uani 0.6540(5) 0.2683(5) 0.40783(18) 1.000 0.132(4) . .
Li1 Li Uani 0.5601(5) 0.1804(5) 0.3393(2) 1.000 0.059(3) . .
H11 H Uiso 0.46852 0.32870 0.28247 1.000 0.0801 . .
H11' H Uiso 0.41165 0.28242 0.31791 1.000 0.0801 . .
H12 H Uiso 0.34003 0.30404 0.24282 1.000 0.0809 . .
H12' H Uiso 0.32168 0.22693 0.26752 1.000 0.0809 . .
H13 H Uiso 0.39372 0.17135 0.21247 1.000 0.0529 . .
H13' H Uiso 0.43272 0.24913 0.19476 1.000 0.0529 . .
H14 H Uiso 0.53575 0.14914 0.23929 1.000 0.0512 . .
H14' H Uiso 0.56859 0.23254 0.22909 1.000 0.0512 . .
H15 H Uiso 0.74822 0.18625 0.30599 1.000 0.0606 . .
H15' H Uiso 0.73564 0.11795 0.27302 1.000 0.0606 . .
H16 H Uiso 0.85712 0.12775 0.34217 1.000 0.0774 . .
H16' H Uiso 0.85402 0.06476 0.30523 1.000 0.0774 . .
H17 H Uiso 0.79742 -0.01091 0.35648 1.000 0.0643 . .
H17' H Uiso 0.77367 0.05777 0.38788 1.000 0.0643 . .
H18 H Uiso 0.66290 0.00088 0.31836 1.000 0.0711 . .
H18' H Uiso 0.62826 0.02738 0.36514 1.000 0.0711 . .
H19 H Uiso 0.42866 0.17508 0.42627 1.000 0.0623 . .
H19' H Uiso 0.51229 0.11698 0.43376 1.000 0.0623 . .
H110 H Uiso 0.34191 0.07872 0.44864 1.000 0.0811 . .
H110' H Uiso 0.41558 0.01819 0.43186 1.000 0.0811 . .
H111 H Uiso 0.30832 0.01037 0.37626 1.000 0.0844 . .
H111' H Uiso 0.27882 0.09625 0.38077 1.000 0.0844 . .
H112 H Uiso 0.43323 0.03711 0.33807 1.000 0.1102 . .
H112' H Uiso 0.37469 0.11016 0.32560 1.000 0.1102 . .
H113 H Uiso 0.62731 0.37551 0.34767 1.000 0.0864 . .
H113' H Uiso 0.65452 0.31703 0.31068 1.000 0.0864 . .
H114 H Uiso 0.78151 0.37849 0.35970 1.000 0.1295 . .
H114' H Uiso 0.79617 0.29611 0.34037 1.000 0.1295 . .
H115 H Uiso 0.78872 0.25410 0.40815 1.000 0.2810 . .
H115' H Uiso 0.75628 0.33355 0.42556 1.000 0.2810 . .
H116 H Uiso 0.61896 0.30046 0.42775 1.000 0.1582 . .
H116' H Uiso 0.65559 0.21751 0.41993 1.000 0.1582 . .
C21 C Uani 0.7906(2) 0.14556(19) 0.07214(10) 1.000 0.0229(11) . .
C22 C Uani 0.8159(2) 0.20959(19) 0.04938(11) 1.000 0.0238(11) . .
C23 C Uani 0.8051(2) 0.27121(19) 0.07710(11) 1.000 0.0237(12) . .
C24 C Uani 0.7746(2) 0.24443(19) 0.11732(11) 1.000 0.0233(12) . .
C25 C Uani 0.7640(2) 0.16688(19) 0.11435(11) 1.000 0.0239(11) . .
C26 C Uani 0.8192(2) 0.06782(19) 0.06018(11) 1.000 0.0263(12) . .
C27 C Uani 0.8762(2) 0.20921(19) 0.00967(11) 1.000 0.0267(12) . .
C28 C Uani 0.8537(2) 0.34498(19) 0.07134(11) 1.000 0.0250(12) . .
C29 C Uani 0.7827(2) 0.28677(19) 0.15937(11) 1.000 0.0252(11) . .
C210 C Uani 0.7626(2) 0.11480(19) 0.15259(11) 1.000 0.0243(12) . .
C211 C Uani 0.9109(2) 0.07584(19) 0.03442(10) 1.000 0.0250(12) . .
C212 C Uani 0.9358(2) 0.13835(19) 0.01248(11) 1.000 0.0256(11) . .
C213 C Uani 0.9524(2) 0.26914(19) 0.01766(11) 1.000 0.0245(11) . .
C214 C Uani 0.9425(2) 0.32869(19) 0.04525(11) 1.000 0.0245(11) . .
C215 C Uani 0.8980(2) 0.36510(19) 0.11569(11) 1.000 0.0253(12) . .
C216 C Uani 0.8667(2) 0.33966(19) 0.15493(11) 1.000 0.0283(12) . .
C217 C Uani 0.8228(2) 0.2311(2) 0.19380(11) 1.000 0.0275(11) . .
C218 C Uani 0.8137(2) 0.1551(2) 0.19025(10) 1.000 0.0276(12) . .
C219 C Uani 0.8329(2) 0.05227(19) 0.14330(11) 1.000 0.0247(12) . .
C220 C Uani 0.8573(2) 0.03124(19) 0.10202(11) 1.000 0.0257(12) . .
C221 C Uani 0.9819(2) 0.02988(19) 0.05402(11) 1.000 0.0266(12) . .
C222 C Uani 1.0327(3) 0.1564(2) 0.00897(11) 1.000 0.0292(11) . .
C223 C Uani 1.0426(3) 0.2374(2) 0.01218(11) 1.000 0.0276(12) . .
C224 C Uani 1.0224(2) 0.35800(19) 0.06771(11) 1.000 0.0267(12) . .
C225 C Uani 0.9955(2) 0.38033(19) 0.11077(11) 1.000 0.0273(12) . .
C226 C Uani 0.9316(3) 0.3287(2) 0.19031(11) 1.000 0.0274(12) . .
C227 C Uani 0.9051(3) 0.2619(2) 0.21377(11) 1.000 0.0277(12) . .
C228 C Uani 0.8874(3) 0.1085(2) 0.20720(11) 1.000 0.0270(12) . .
C229 C Uani 0.8981(2) 0.04587(19) 0.17850(11) 1.000 0.0267(12) . .
C230 C Uani 0.9495(3) 0.00198(19) 0.09547(11) 1.000 0.0273(12) . .
C231 C Uani 1.0765(3) 0.0455(2) 0.04930(11) 1.000 0.0306(12) . .
C232 C Uani 1.1030(3) 0.1113(2) 0.02579(11) 1.000 0.0289(12) . .
C233 C Uani 1.1222(3) 0.2675(2) 0.03226(11) 1.000 0.0313(12) . .
C234 C Uani 1.1118(2) 0.3298(2) 0.06081(11) 1.000 0.0283(12) . .
C235 C Uani 1.0585(3) 0.3737(2) 0.14525(11) 1.000 0.0297(12) . .
C236 C Uani 1.0261(3) 0.3461(2) 0.18636(11) 1.000 0.0307(12) . .
C237 C Uani 0.9745(3) 0.2171(2) 0.23221(11) 1.000 0.0317(14) . .
C238 C Uani 0.9648(3) 0.1376(2) 0.22899(11) 1.000 0.0307(14) . .
C239 C Uani 0.9861(2) 0.0141(2) 0.17260(11) 1.000 0.0294(12) . .
C240 C Uani 1.0122(2) -0.0085(2) 0.12990(11) 1.000 0.0283(12) . .
C241 C Uani 1.1415(2) 0.0363(2) 0.08582(12) 1.000 0.0323(12) . .
C242 C Uani 1.1841(2) 0.1434(2) 0.04737(12) 1.000 0.0329(14) . .
C243 C Uani 1.1943(3) 0.2194(2) 0.05091(12) 1.000 0.0323(14) . .
C244 C Uani 1.1767(2) 0.3213(2) 0.09690(12) 1.000 0.0303(12) . .
C245 C Uani 1.1510(3) 0.3422(2) 0.13825(12) 1.000 0.0314(12) . .
C246 C Uani 1.0973(3) 0.2984(2) 0.20484(11) 1.000 0.0318(12) . .
C247 C Uani 1.0723(3) 0.2346(2) 0.22728(11) 1.000 0.0331(14) . .
C248 C Uani 1.0566(3) 0.1063(2) 0.22198(11) 1.000 0.0311(12) . .
C249 C Uani 1.0673(2) 0.0457(2) 0.19453(11) 1.000 0.0308(12) . .
C250 C Uani 1.1102(2) 0.0103(2) 0.12509(12) 1.000 0.0313(12) . .
C251 C Uani 1.2076(2) 0.0966(2) 0.08445(12) 1.000 0.0330(12) . .
C252 C Uani 1.2278(2) 0.2527(2) 0.09060(12) 1.000 0.0320(12) . .
C253 C Uani 1.1748(3) 0.2959(2) 0.17524(12) 1.000 0.0354(14) . .
C254 C Uani 1.1229(3) 0.1665(2) 0.22121(11) 1.000 0.0345(14) . .
C255 C Uani 1.1440(3) 0.0427(2) 0.16497(12) 1.000 0.0334(12) . .
C256 C Uani 1.2416(2) 0.1281(2) 0.12288(13) 1.000 0.0360(16) . .
C257 C Uani 1.2508(2) 0.2083(2) 0.12629(13) 1.000 0.0341(16) . .
C258 C Uani 1.2241(3) 0.2302(2) 0.16915(12) 1.000 0.0358(14) . .
C259 C Uani 1.1974(3) 0.1638(2) 0.19265(12) 1.000 0.0348(14) . .
C260 C Uani 1.2082(2) 0.1014(2) 0.16426(12) 1.000 0.0331(12) . .
C261 C Uani 0.7422(2) 0.02384(19) 0.03674(11) 1.000 0.0256(12) . .
C262 C Uani 0.7205(3) 0.0352(2) -0.00628(12) 1.000 0.0330(12) . .
C263 C Uani 0.6509(3) -0.0035(2) -0.02700(12) 1.000 0.0350(14) . .
C264 C Uani 0.5994(3) -0.0573(2) -0.00617(12) 1.000 0.0335(12) . .
C265 C Uani 0.6170(3) -0.0660(2) 0.03766(13) 1.000 0.0431(17) . .
C266 C Uani 0.6878(3) -0.0260(2) 0.05875(12) 1.000 0.0428(16) . .
C267 C Uani 0.5299(3) -0.1050(2) -0.03117(13) 1.000 0.0421(16) . .
C268 C Uani 0.4927(3) -0.1710(2) -0.00806(14) 1.000 0.0505(17) . .
C269 C Uani 0.4442(3) -0.2259(2) -0.03783(14) 1.000 0.0530(17) . .
C270 C Uani 0.8238(3) 0.2182(2) -0.03363(11) 1.000 0.0276(12) . .
C271 C Uani 0.7523(3) 0.2695(2) -0.03719(12) 1.000 0.0350(14) . .
C272 C Uani 0.7018(3) 0.2781(2) -0.07589(12) 1.000 0.0401(16) . .
C273 C Uani 0.7211(3) 0.2342(2) -0.11196(12) 1.000 0.0404(16) . .
C274 C Uani 0.7921(3) 0.1834(2) -0.10822(12) 1.000 0.0387(16) . .
C275 C Uani 0.8442(3) 0.1758(2) -0.07000(11) 1.000 0.0337(14) . .
C276 C Uani 0.6645(3) 0.2421(3) -0.15394(14) 1.000 0.0578(17) . .
C277 C Uani 0.5628(4) 0.2440(4) -0.14815(16) 1.000 0.086(3) . .
C278 C Uani 0.5261(3) 0.1809(3) -0.12510(16) 1.000 0.079(2) . .
C279 C Uani 0.7982(2) 0.40967(19) 0.05190(11) 1.000 0.0263(12) . .
C280 C Uani 0.7028(3) 0.4058(2) 0.04535(11) 1.000 0.0320(12) . .
C281 C Uani 0.6536(3) 0.4637(2) 0.02466(12) 1.000 0.0374(16) . .
C282 C Uani 0.7001(3) 0.5262(2) 0.01004(12) 1.000 0.0384(14) . .
C283 C Uani 0.7950(3) 0.5307(2) 0.01850(12) 1.000 0.0347(14) . .
C284 C Uani 0.8432(3) 0.4742(2) 0.03874(11) 1.000 0.0303(12) . .
C285 C Uani 0.6500(3) 0.5876(2) -0.01478(14) 1.000 0.0487(17) . .
C286 C Uani 0.6379(3) 0.6569(3) 0.01124(15) 1.000 0.0626(17) . .
C287 C Uani 0.5717(3) 0.6474(3) 0.04680(15) 1.000 0.0668(17) . .
C288 C Uani 0.6925(3) 0.32627(19) 0.17233(11) 1.000 0.0266(12) . .
C289 C Uani 0.6871(3) 0.3718(2) 0.20899(12) 1.000 0.0346(12) . .
C290 C Uani 0.6044(3) 0.4096(2) 0.21756(12) 1.000 0.0406(16) . .
C291 C Uani 0.5262(3) 0.4033(2) 0.19056(12) 1.000 0.0349(12) . .
C292 C Uani 0.5319(3) 0.3573(2) 0.15504(12) 1.000 0.0354(14) . .
C293 C Uani 0.6134(3) 0.3192(2) 0.14588(12) 1.000 0.0336(12) . .
C294 C Uani 0.4374(3) 0.4469(2) 0.19863(13) 1.000 0.0452(17) . .
C295 C Uani 0.4310(3) 0.5211(3) 0.17558(14) 1.000 0.0519(17) . .
C296 C Uani 0.4327(3) 0.5166(3) 0.12664(14) 1.000 0.066(2) . .
C297 C Uani 0.6684(2) 0.08128(19) 0.16537(11) 1.000 0.0259(11) . .
C298 C Uani 0.6657(3) 0.0276(2) 0.19818(11) 1.000 0.0317(12) . .
C299 C Uani 0.5830(3) -0.0069(2) 0.20883(12) 1.000 0.0356(14) . .
C2100 C Uani 0.5003(3) 0.0112(2) 0.18769(12) 1.000 0.0356(14) . .
C2101 C Uani 0.5029(3) 0.0640(2) 0.15557(12) 1.000 0.0347(14) . .
C2102 C Uani 0.5858(3) 0.0991(2) 0.14441(11) 1.000 0.0317(12) . .
C2103 C Uani 0.4099(3) -0.0252(2) 0.20112(13) 1.000 0.0443(16) . .
C2104 C Uani 0.3760(3) 0.0033(2) 0.24451(14) 1.000 0.0508(17) . .
C2105 C Uani 0.2860(3) -0.0336(3) 0.25816(15) 1.000 0.0655(19) . .
H262 H Uiso 0.75479 0.07079 -0.02206 1.000 0.0393 . .
H263 H Uiso 0.63750 0.00687 -0.05663 1.000 0.0417 . .
H265 H Uiso 0.58039 -0.09969 0.05374 1.000 0.0521 . .
H266 H Uiso 0.69874 -0.03333 0.08888 1.000 0.0511 . .
H267 H Uiso 0.47662 -0.07329 -0.04005 1.000 0.0503 . .
H267' H Uiso 0.55979 -0.12240 -0.05793 1.000 0.0503 . .
H268 H Uiso 0.44827 -0.15402 0.01397 1.000 0.0608 . .
H268' H Uiso 0.54470 -0.19632 0.00730 1.000 0.0608 . .
H269 H Uiso 0.39063 -0.20192 -0.05206 1.000 0.0793 . .
H269' H Uiso 0.42292 -0.26838 -0.02092 1.000 0.0793 . .
H269" H Uiso 0.48766 -0.24287 -0.05980 1.000 0.0793 . .
H271 H Uiso 0.73740 0.29927 -0.01290 1.000 0.0417 . .
H272 H Uiso 0.65376 0.31419 -0.07776 1.000 0.0481 . .
H274 H Uiso 0.80589 0.15271 -0.13227 1.000 0.0463 . .
H275 H Uiso 0.89421 0.14131 -0.06869 1.000 0.0405 . .
H276 H Uiso 0.68364 0.28824 -0.16863 1.000 0.0693 . .
H276' H Uiso 0.67969 0.20006 -0.17320 1.000 0.0693 . .
H277 H Uiso 0.54668 0.28967 -0.13221 1.000 0.1030 . .
H277' H Uiso 0.53189 0.24662 -0.17703 1.000 0.1030 . .
H278 H Uiso 0.55101 0.13506 -0.13741 1.000 0.1188 . .
H278' H Uiso 0.45808 0.18059 -0.12786 1.000 0.1188 . .
H278" H Uiso 0.54438 0.18421 -0.09444 1.000 0.1188 . .
H280 H Uiso 0.66992 0.36333 0.05498 1.000 0.0389 . .
H281 H Uiso 0.58810 0.45998 0.02065 1.000 0.0452 . .
H283 H Uiso 0.82764 0.57404 0.01011 1.000 0.0416 . .
H284 H Uiso 0.90827 0.47913 0.04383 1.000 0.0364 . .
H285 H Uiso 0.68570 0.59963 -0.04099 1.000 0.0585 . .
H285' H Uiso 0.58804 0.56946 -0.02438 1.000 0.0585 . .
H286 H Uiso 0.69905 0.67209 0.02355 1.000 0.0752 . .
H286' H Uiso 0.61545 0.69703 -0.00812 1.000 0.0752 . .
H287 H Uiso 0.50974 0.63651 0.03470 1.000 0.1002 . .
H287' H Uiso 0.56933 0.69314 0.06389 1.000 0.1002 . .
H287" H Uiso 0.59221 0.60635 0.06544 1.000 0.1002 . .
H289 H Uiso 0.73942 0.37699 0.22797 1.000 0.0416 . .
H290 H Uiso 0.60163 0.44032 0.24248 1.000 0.0483 . .
H292 H Uiso 0.47901 0.35142 0.13645 1.000 0.0424 . .
H293 H Uiso 0.61520 0.28796 0.12116 1.000 0.0401 . .
H294 H Uiso 0.38349 0.41615 0.18937 1.000 0.0544 . .
H294' H Uiso 0.43237 0.45546 0.23016 1.000 0.0544 . .
H295 H Uiso 0.37275 0.54595 0.18410 1.000 0.0621 . .
H295' H Uiso 0.48357 0.55251 0.18566 1.000 0.0621 . .
H296 H Uiso 0.49314 0.49757 0.11761 1.000 0.0992 . .
H296' H Uiso 0.42265 0.56610 0.11434 1.000 0.0992 . .
H296" H Uiso 0.38327 0.48321 0.11630 1.000 0.0992 . .
H298 H Uiso 0.72144 0.01460 0.21334 1.000 0.0380 . .
H299 H Uiso 0.58315 -0.04340 0.23098 1.000 0.0426 . .
H2101 H Uiso 0.44695 0.07702 0.14061 1.000 0.0419 . .
H2102 H Uiso 0.58518 0.13546 0.12218 1.000 0.0378 . .
H2103 H Uiso 0.41925 -0.07947 0.20301 1.000 0.0530 . .
H2103' H Uiso 0.36146 -0.01566 0.17859 1.000 0.0530 . .
H2104 H Uiso 0.42465 -0.00581 0.26698 1.000 0.0608 . .
H2104' H Uiso 0.36604 0.05750 0.24253 1.000 0.0608 . .
H2105 H Uiso 0.23712 -0.02392 0.23632 1.000 0.0980 . .
H2105' H Uiso 0.26704 -0.01350 0.28612 1.000 0.0980 . .
H2105" H Uiso 0.29573 -0.08720 0.26081 1.000 0.0980 . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 O11 Li1 132.3(3) . . . yes
C11 O11 C14 107.0(3) . . . yes
C11 O11 Li1 120.5(3) . . . yes
C18 O12 Li1 128.7(3) . . . yes
C15 O12 Li1 123.9(3) . . . yes
C15 O12 C18 105.1(3) . . . yes
C19 O13 C112 109.8(4) . . . yes
C19 O13 Li1 130.3(3) . . . yes
C112 O13 Li1 119.8(4) . . . yes
C113 O14 Li1 123.8(3) . . . yes
C113 O14 C116 104.6(4) . . . yes
C116 O14 Li1 123.3(5) . . . yes
C2103 C2100 C299 120.0(3) . . . no
C2101 C2100 C299 117.9(4) . . . no
C2101 C2100 C2103 122.0(4) . . . no
C2100 C2101 C2102 121.7(4) . . . no
C2101 C2102 C297 120.6(3) . . . no
C2100 C2103 C2104 112.5(3) . . . no
C2103 C2104 C2105 112.6(3) . . . no
C25 C21 C26 123.8(3) . . . no
C22 C21 C26 124.6(3) . . . no
C22 C21 C25 108.3(3) . . . no
C21 C22 C23 108.2(3) . . . no
C21 C22 C27 124.0(3) . . . no
C23 C22 C27 124.4(3) . . . no
C22 C23 C24 107.7(3) . . . no
C24 C23 C28 123.8(3) . . . no
C22 C23 C28 124.3(3) . . . no
C23 C24 C25 108.5(3) . . . no
C23 C24 C29 124.4(3) . . . no
C25 C24 C29 124.4(3) . . . no
C21 C25 C24 107.4(3) . . . no
C21 C25 C210 123.9(3) . . . no
C24 C25 C210 124.7(3) . . . no
C21 C26 C261 113.5(2) . . . no
C211 C26 C220 100.2(2) . . . no
C21 C26 C220 106.7(3) . . . no
C21 C26 C211 106.0(3) . . . no
C211 C26 C261 114.7(3) . . . no
C220 C26 C261 114.6(3) . . . no
C22 C27 C213 106.3(3) . . . no
C212 C27 C270 113.7(3) . . . no
C22 C27 C270 115.3(3) . . . no
C212 C27 C213 100.3(2) . . . no
C22 C27 C212 106.5(3) . . . no
C213 C27 C270 113.5(3) . . . no
C214 C28 C279 111.7(3) . . . no
C23 C28 C214 106.3(3) . . . no
C23 C28 C215 106.6(3) . . . no
C215 C28 C279 111.9(3) . . . no
C214 C28 C215 100.1(2) . . . no
C23 C28 C279 118.5(2) . . . no
C24 C29 C217 106.4(3) . . . no
C24 C29 C216 106.5(3) . . . no
C24 C29 C288 114.0(3) . . . no
C216 C29 C217 100.2(2) . . . no
C216 C29 C288 113.6(3) . . . no
C217 C29 C288 115.0(3) . . . no
C2100 C2101 H2101 119.00 . . . no
C2102 C2101 H2101 119.00 . . . no
C297 C2102 H2102 120.00 . . . no
C2101 C2102 H2102 120.00 . . . no
C2104 C2103 H2103 109.00 . . . no
C2100 C2103 H2103' 109.00 . . . no
C2100 C2103 H2103 109.00 . . . no
C2104 C2103 H2103' 109.00 . . . no
H2103 C2103 H2103' 108.00 . . . no
C2103 C2104 H2104 109.00 . . . no
C2105 C2104 H2104' 109.00 . . . no
H2104 C2104 H2104' 108.00 . . . no
C2105 C2104 H2104 109.00 . . . no
C2103 C2104 H2104' 109.00 . . . no
C2104 C2105 H2105' 110.00 . . . no
C2104 C2105 H2105 109.00 . . . no
H2105 C2105 H2105" 109.00 . . . no
C2104 C2105 H2105" 110.00 . . . no
H2105 C2105 H2105' 109.00 . . . no
H2105' C2105 H2105" 109.00 . . . no
C25 C210 C219 106.9(3) . . . no
C25 C210 C297 118.0(3) . . . no
C25 C210 C218 106.4(3) . . . no
C218 C210 C297 113.5(3) . . . no
C219 C210 C297 110.0(3) . . . no
C218 C210 C219 100.4(2) . . . no
C212 C211 C221 119.6(3) . . . no
C26 C211 C221 109.4(3) . . . no
O11 C11 C12 104.2(4) . . . yes
C26 C211 C212 124.2(3) . . . no
C27 C212 C222 110.3(3) . . . no
C211 C212 C222 119.2(3) . . . no
C11 C12 C13 104.8(4) . . . no
C27 C212 C211 124.2(3) . . . no
C27 C213 C214 124.0(3) . . . no
C214 C213 C223 119.3(3) . . . no
C12 C13 C14 104.9(3) . . . no
C27 C213 C223 109.9(3) . . . no
C28 C214 C213 124.3(3) . . . no
C28 C214 C224 109.8(3) . . . no
C213 C214 C224 119.7(3) . . . no
O11 C14 C13 105.4(3) . . . yes
C216 C215 C225 119.4(3) . . . no
C28 C215 C225 109.8(3) . . . no
C28 C215 C216 124.5(3) . . . no
O12 C15 C16 107.9(3) . . . yes
C29 C216 C215 123.4(3) . . . no
C29 C216 C226 110.2(3) . . . no
C215 C216 C226 119.7(3) . . . no
C15 C16 C17 105.1(3) . . . no
C16 C17 C18 102.4(4) . . . no
C29 C217 C218 123.4(3) . . . no
C29 C217 C227 109.5(3) . . . no
C218 C217 C227 119.6(3) . . . no
O12 C18 C17 105.4(4) . . . yes
C217 C218 C228 118.8(3) . . . no
C210 C218 C217 124.7(3) . . . no
C210 C218 C228 109.5(3) . . . no
O13 C19 C110 106.4(4) . . . yes
C220 C219 C229 120.4(3) . . . no
C210 C219 C220 123.4(3) . . . no
C210 C219 C229 109.9(3) . . . no
C219 C220 C230 118.6(3) . . . no
C26 C220 C219 124.3(3) . . . no
C26 C220 C230 110.6(3) . . . no
C230 C221 C231 119.2(3) . . . no
C211 C221 C230 109.4(3) . . . no
C211 C221 C231 121.5(3) . . . no
C212 C222 C223 108.2(3) . . . no
C223 C222 C232 119.2(4) . . . no
C212 C222 C232 122.6(3) . . . no
C213 C223 C222 108.6(3) . . . no
C222 C223 C233 119.5(3) . . . no
C213 C223 C233 121.8(3) . . . no
C225 C224 C234 120.1(3) . . . no
C214 C224 C225 108.8(3) . . . no
C214 C224 C234 121.4(3) . . . no
C215 C225 C224 108.7(3) . . . no
C215 C225 C235 121.6(3) . . . no
C224 C225 C235 119.9(3) . . . no
C216 C226 C236 121.3(3) . . . no
C227 C226 C236 119.4(4) . . . no
C216 C226 C227 108.6(3) . . . no
C217 C227 C237 121.9(3) . . . no
C226 C227 C237 119.3(4) . . . no
C217 C227 C226 109.1(3) . . . no
C218 C228 C238 122.0(3) . . . no
C229 C228 C238 119.9(4) . . . no
C218 C228 C229 108.6(3) . . . no
C219 C229 C239 121.0(3) . . . no
C228 C229 C239 120.3(3) . . . no
C219 C229 C228 109.1(3) . . . no
C220 C230 C221 107.8(3) . . . no
C220 C230 C240 121.7(3) . . . no
C221 C230 C240 120.2(3) . . . no
C232 C231 C241 108.1(3) . . . no
C221 C231 C241 120.4(3) . . . no
C221 C231 C232 118.9(3) . . . no
C231 C232 C242 108.3(3) . . . no
C222 C232 C242 120.7(3) . . . no
C222 C232 C231 118.1(4) . . . no
C223 C233 C243 120.8(3) . . . no
C223 C233 C234 118.8(3) . . . no
C234 C233 C243 107.7(3) . . . no
C233 C234 C244 108.4(3) . . . no
C224 C234 C233 118.9(3) . . . no
C224 C234 C244 120.0(3) . . . no
C225 C235 C245 120.0(3) . . . no
C236 C235 C245 107.7(3) . . . no
C225 C235 C236 119.0(4) . . . no
C235 C236 C246 108.3(3) . . . no
C226 C236 C235 118.8(3) . . . no
C226 C236 C246 120.8(3) . . . no
C227 C237 C238 118.6(4) . . . no
C227 C237 C247 121.1(3) . . . no
C238 C237 C247 107.5(3) . . . no
C237 C238 C248 108.0(3) . . . no
C228 C238 C237 118.9(4) . . . no
C228 C238 C248 120.0(3) . . . no
C240 C239 C249 108.5(3) . . . no
C229 C239 C249 119.8(3) . . . no
C229 C239 C240 119.1(3) . . . no
C230 C240 C239 119.0(3) . . . no
C239 C240 C250 107.3(3) . . . no
C230 C240 C250 120.2(3) . . . no
C250 C241 C251 120.4(3) . . . no
C231 C241 C251 107.7(3) . . . no
C231 C241 C250 120.1(3) . . . no
C232 C242 C251 107.6(3) . . . no
C243 C242 C251 119.3(3) . . . no
C232 C242 C243 121.0(3) . . . no
C242 C243 C252 120.9(3) . . . no
C233 C243 C242 118.9(3) . . . no
C233 C243 C252 108.1(3) . . . no
C245 C244 C252 119.9(3) . . . no
C234 C244 C252 107.9(3) . . . no
C234 C244 C245 120.0(3) . . . no
C235 C245 C244 119.9(3) . . . no
C244 C245 C253 120.3(3) . . . no
C235 C245 C253 108.0(3) . . . no
C236 C246 C253 108.4(3) . . . no
C236 C246 C247 120.0(4) . . . no
C247 C246 C253 119.6(3) . . . no
C246 C247 C254 120.2(4) . . . no
C237 C247 C246 119.4(4) . . . no
C237 C247 C254 108.7(3) . . . no
C238 C248 C254 108.1(3) . . . no
C249 C248 C254 119.9(3) . . . no
C238 C248 C249 120.4(3) . . . no
C239 C249 C248 119.6(3) . . . no
C239 C249 C255 107.8(3) . . . no
C248 C249 C255 120.5(3) . . . no
C240 C250 C241 119.9(3) . . . no
C241 C250 C255 120.2(3) . . . no
C240 C250 C255 108.6(3) . . . no
C241 C251 C242 108.4(3) . . . no
C241 C251 C256 120.1(3) . . . no
C242 C251 C256 120.3(3) . . . no
C244 C252 C257 119.7(3) . . . no
C243 C252 C257 120.2(3) . . . no
C243 C252 C244 107.9(3) . . . no
C246 C253 C258 120.5(3) . . . no
C245 C253 C246 107.7(3) . . . no
C245 C253 C258 119.7(3) . . . no
C248 C254 C259 119.8(3) . . . no
C247 C254 C259 120.3(3) . . . no
C247 C254 C248 107.7(4) . . . no
C249 C255 C250 107.8(3) . . . no
C250 C255 C260 120.3(3) . . . no
C249 C255 C260 119.4(3) . . . no
C251 C256 C257 119.7(3) . . . no
C251 C256 C260 119.7(3) . . . no
C257 C256 C260 107.2(3) . . . no
C256 C257 C258 108.3(3) . . . no
C252 C257 C258 120.3(3) . . . no
C252 C257 C256 119.5(3) . . . no
C253 C258 C257 120.1(3) . . . no
C253 C258 C259 119.5(4) . . . no
C257 C258 C259 108.0(3) . . . no
C254 C259 C258 119.8(3) . . . no
C254 C259 C260 120.3(3) . . . no
C258 C259 C260 107.9(3) . . . no
C255 C260 C259 120.2(3) . . . no
C255 C260 C256 119.4(3) . . . no
C256 C260 C259 108.5(3) . . . no
C262 C261 C266 116.9(3) . . . no
C26 C261 C262 121.9(3) . . . no
C26 C261 C266 121.1(3) . . . no
C261 C262 C263 121.8(3) . . . no
C262 C263 C264 122.2(4) . . . no
C265 C264 C267 122.7(3) . . . no
C263 C264 C265 116.4(4) . . . no
C263 C264 C267 120.9(3) . . . no
C264 C265 C266 121.1(4) . . . no
C261 C266 C265 121.4(3) . . . no
C264 C267 C268 116.6(3) . . . no
C267 C268 C269 113.4(4) . . . no
C271 C270 C275 118.0(3) . . . no
C27 C270 C275 122.5(3) . . . no
C27 C270 C271 119.5(3) . . . no
C270 C271 C272 121.0(3) . . . no
C271 C272 C273 120.8(4) . . . no
C272 C273 C276 120.9(4) . . . no
C274 C273 C276 121.2(4) . . . no
C272 C273 C274 117.9(4) . . . no
C273 C274 C275 121.6(3) . . . no
C270 C275 C274 120.7(4) . . . no
C273 C276 C277 114.4(4) . . . no
C276 C277 C278 114.3(5) . . . no
C28 C279 C284 120.6(3) . . . no
C280 C279 C284 117.6(3) . . . no
C28 C279 C280 121.8(3) . . . no
C279 C280 C281 121.1(3) . . . no
C280 C281 C282 120.6(4) . . . no
C281 C282 C283 117.6(4) . . . no
C281 C282 C285 121.9(4) . . . no
C283 C282 C285 120.5(3) . . . no
C282 C283 C284 121.8(4) . . . no
C279 C284 C283 121.2(4) . . . no
C282 C285 C286 113.3(4) . . . no
C285 C286 C287 112.7(4) . . . no
C289 C288 C293 118.0(4) . . . no
C29 C288 C293 119.2(3) . . . no
C29 C288 C289 122.7(3) . . . no
C288 C289 C290 119.9(4) . . . no
C289 C290 C291 121.8(3) . . . no
C292 C291 C294 120.2(4) . . . no
C290 C291 C292 117.8(4) . . . no
C290 C291 C294 122.0(3) . . . no
C291 C292 C293 121.4(4) . . . no
C288 C293 C292 121.1(3) . . . no
C291 C294 C295 115.0(3) . . . no
C294 C295 C296 114.8(4) . . . no
C2102 C297 C210 122.8(3) . . . no
C2102 C297 C298 117.7(3) . . . no
C210 C297 C298 119.5(3) . . . no
C297 C298 C299 121.1(4) . . . no
C2100 C299 C298 121.0(3) . . . no
C19 C110 C111 102.8(4) . . . no
O11 C11 H11' 111.00 . . . no
C12 C11 H11 111.00 . . . no
O11 C11 H11 111.00 . . . no
C110 C111 C112 103.1(4) . . . no
H11 C11 H11' 109.00 . . . no
C12 C11 H11' 111.00 . . . no
C13 C12 H12 111.00 . . . no
C13 C12 H12' 111.00 . . . no
C11 C12 H12' 111.00 . . . no
H12 C12 H12' 109.00 . . . no
O13 C112 C111 107.7(4) . . . yes
C11 C12 H12 111.00 . . . no
C14 C13 H13 111.00 . . . no
C12 C13 H13 111.00 . . . no
C12 C13 H13' 111.00 . . . no
O14 C113 C114 106.2(4) . . . yes
H13 C13 H13' 109.00 . . . no
C14 C13 H13' 111.00 . . . no
O11 C14 H14 111.00 . . . no
C113 C114 C115 100.3(6) . . . no
C13 C14 H14' 111.00 . . . no
O11 C14 H14' 111.00 . . . no
C13 C14 H14 111.00 . . . no
H14 C14 H14' 109.00 . . . no
C114 C115 C116 110.3(8) . . . no
H15 C15 H15' 108.00 . . . no
O12 C15 H15 110.00 . . . no
O12 C15 H15' 110.00 . . . no
C16 C15 H15' 110.00 . . . no
C16 C15 H15 110.00 . . . no
H16 C16 H16' 109.00 . . . no
C17 C16 H16 111.00 . . . no
C17 C16 H16' 111.00 . . . no
O14 C116 C115 108.0(6) . . . yes
C15 C16 H16' 111.00 . . . no
C15 C16 H16 111.00 . . . no
C16 C17 H17' 111.00 . . . no
H17 C17 H17' 109.00 . . . no
C18 C17 H17 111.00 . . . no
C18 C17 H17' 111.00 . . . no
C16 C17 H17 111.00 . . . no
C17 C18 H18' 111.00 . . . no
O12 C18 H18 111.00 . . . no
O12 C18 H18' 111.00 . . . no
H18 C18 H18' 109.00 . . . no
C17 C18 H18 111.00 . . . no
C110 C19 H19 110.00 . . . no
C110 C19 H19' 110.00 . . . no
O13 C19 H19' 110.00 . . . no
H19 C19 H19' 109.00 . . . no
O13 C19 H19 110.00 . . . no
C263 C262 H262 119.00 . . . no
C261 C262 H262 119.00 . . . no
C262 C263 H263 119.00 . . . no
C264 C263 H263 119.00 . . . no
C266 C265 H265 119.00 . . . no
C264 C265 H265 119.00 . . . no
C261 C266 H266 119.00 . . . no
C265 C266 H266 119.00 . . . no
C264 C267 H267' 108.00 . . . no
C264 C267 H267 108.00 . . . no
C268 C267 H267' 108.00 . . . no
C268 C267 H267 108.00 . . . no
H267' C267 H267 107.00 . . . no
C267 C268 H268' 109.00 . . . no
C269 C268 H268' 109.00 . . . no
C269 C268 H268 109.00 . . . no
H268' C268 H268 108.00 . . . no
C267 C268 H268 109.00 . . . no
C268 C269 H269' 109.00 . . . no
H269' C269 H269" 110.00 . . . no
H269' C269 H269 109.00 . . . no
C268 C269 H269 109.00 . . . no
H269" C269 H269 109.00 . . . no
C268 C269 H269" 109.00 . . . no
C272 C271 H271 119.00 . . . no
C270 C271 H271 120.00 . . . no
C271 C272 H272 120.00 . . . no
C273 C272 H272 120.00 . . . no
C275 C274 H274 119.00 . . . no
C273 C274 H274 119.00 . . . no
C274 C275 H275 120.00 . . . no
C270 C275 H275 120.00 . . . no
C277 C276 H276' 109.00 . . . no
C277 C276 H276 109.00 . . . no
C273 C276 H276' 109.00 . . . no
H276' C276 H276 108.00 . . . no
C273 C276 H276 109.00 . . . no
C278 C277 H277 109.00 . . . no
C276 C277 H277' 109.00 . . . no
C276 C277 H277 109.00 . . . no
C278 C277 H277' 109.00 . . . no
H277' C277 H277 108.00 . . . no
C277 C278 H278" 109.00 . . . no
C277 C278 H278' 110.00 . . . no
H278" C278 H278 109.00 . . . no
H278' C278 H278" 109.00 . . . no
H278' C278 H278 109.00 . . . no
C277 C278 H278 109.00 . . . no
C281 C280 H280 119.00 . . . no
C279 C280 H280 119.00 . . . no
C280 C281 H281 120.00 . . . no
C282 C281 H281 120.00 . . . no
C282 C283 H283 119.00 . . . no
C284 C283 H283 119.00 . . . no
C283 C284 H284 119.00 . . . no
C279 C284 H284 119.00 . . . no
C282 C285 H285' 109.00 . . . no
C286 C285 H285 109.00 . . . no
C282 C285 H285 109.00 . . . no
C286 C285 H285' 109.00 . . . no
H285' C285 H285 108.00 . . . no
H286' C286 H286 108.00 . . . no
C287 C286 H286 109.00 . . . no
C285 C286 H286' 109.00 . . . no
C285 C286 H286 109.00 . . . no
C287 C286 H286' 109.00 . . . no
C286 C287 H287 109.00 . . . no
H287' C287 H287" 109.00 . . . no
C286 C287 H287" 109.00 . . . no
C286 C287 H287' 109.00 . . . no
H287" C287 H287 110.00 . . . no
H287' C287 H287 109.00 . . . no
C290 C289 H289 120.00 . . . no
C288 C289 H289 120.00 . . . no
C289 C290 H290 119.00 . . . no
C291 C290 H290 119.00 . . . no
C293 C292 H292 119.00 . . . no
C291 C292 H292 119.00 . . . no
C292 C293 H293 119.00 . . . no
C288 C293 H293 119.00 . . . no
C291 C294 H294 108.00 . . . no
C295 C294 H294' 109.00 . . . no
H294' C294 H294 107.00 . . . no
C295 C294 H294 109.00 . . . no
C291 C294 H294' 109.00 . . . no
C296 C295 H295' 109.00 . . . no
C294 C295 H295 109.00 . . . no
H295' C295 H295 108.00 . . . no
C296 C295 H295 109.00 . . . no
C294 C295 H295' 109.00 . . . no
C295 C296 H296' 109.00 . . . no
H296' C296 H296" 109.00 . . . no
H296" C296 H296 109.00 . . . no
C295 C296 H296" 109.00 . . . no
C295 C296 H296 110.00 . . . no
H296' C296 H296 110.00 . . . no
C297 C298 H298 119.00 . . . no
C299 C298 H298 119.00 . . . no
C298 C299 H299 119.00 . . . no
C2100 C299 H299 120.00 . . . no
C19 C110 H110' 111.00 . . . no
C111 C110 H110' 111.00 . . . no
C111 C110 H110 111.00 . . . no
H110' C110 H110 109.00 . . . no
C19 C110 H110 111.00 . . . no
C110 C111 H111 111.00 . . . no
C112 C111 H111' 111.00 . . . no
C110 C111 H111' 111.00 . . . no
H111' C111 H111 109.00 . . . no
C112 C111 H111 111.00 . . . no
C111 C112 H112 110.00 . . . no
H112' C112 H112 108.00 . . . no
C111 C112 H112' 110.00 . . . no
O13 C112 H112' 110.00 . . . no
O13 C112 H112 110.00 . . . no
O14 C113 H113 110.00 . . . no
C114 C113 H113' 110.00 . . . no
O14 C113 H113' 110.00 . . . no
H113' C113 H113 109.00 . . . no
C114 C113 H113 110.00 . . . no
C113 C114 H114' 112.00 . . . no
C113 C114 H114 112.00 . . . no
C115 C114 H114 112.00 . . . no
H114' C114 H114 110.00 . . . no
C115 C114 H114' 112.00 . . . no
C116 C115 H115' 109.00 . . . no
C116 C115 H115 110.00 . . . no
H115' C115 H115 108.00 . . . no
C114 C115 H115' 110.00 . . . no
C114 C115 H115 110.00 . . . no
C115 C116 H116' 110.00 . . . no
O14 C116 H116' 110.00 . . . no
O14 C116 H116 110.00 . . . no
H116' C116 H116 108.00 . . . no
C115 C116 H116 110.00 . . . no
O11 Li1 O13 112.8(4) . . . yes
O11 Li1 O14 100.3(4) . . . yes
O12 Li1 O14 112.0(4) . . . yes
O13 Li1 O14 116.3(4) . . . yes
O12 Li1 O13 106.6(4) . . . yes
O11 Li1 O12 108.6(3) . . . yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O11 Li1 1.903(7) . . yes
O11 C11 1.448(6) . . yes
O11 C14 1.445(5) . . yes
O12 C15 1.419(5) . . yes
O12 C18 1.438(6) . . yes
O12 Li1 1.902(8) . . yes
O13 C19 1.427(5) . . yes
O13 Li1 1.907(8) . . yes
O13 C112 1.420(7) . . yes
O14 Li1 1.917(9) . . yes
O14 C116 1.426(7) . . yes
O14 C113 1.467(6) . . yes
C2100 C299 1.385(6) . . no
C2100 C2103 1.521(6) . . no
C2100 C2101 1.376(5) . . no
C2101 C2102 1.398(6) . . no
C2102 C297 1.380(5) . . no
C2103 C2104 1.524(6) . . no
C2104 C2105 1.522(6) . . no
C21 C25 1.419(5) . . no
C21 C22 1.404(5) . . no
C21 C26 1.509(5) . . no
C22 C27 1.515(5) . . no
C22 C23 1.413(5) . . no
C23 C28 1.515(5) . . no
C23 C24 1.410(5) . . no
C24 C25 1.410(5) . . no
C24 C29 1.509(5) . . no
C25 C210 1.510(5) . . no
C26 C261 1.533(4) . . no
C26 C211 1.559(4) . . no
C26 C220 1.542(5) . . no
C27 C212 1.540(5) . . no
C27 C213 1.556(4) . . no
C27 C270 1.531(5) . . no
C28 C279 1.530(5) . . no
C28 C215 1.543(5) . . no
C28 C214 1.550(4) . . no
C29 C216 1.547(4) . . no
C29 C217 1.565(5) . . no
C29 C288 1.539(5) . . no
C2101 H2101 0.9500 . . no
C2102 H2102 0.9500 . . no
C2103 H2103' 0.9900 . . no
C2103 H2103 0.9900 . . no
C2104 H2104' 0.9900 . . no
C2104 H2104 0.9900 . . no
C2105 H2105" 0.9800 . . no
C2105 H2105' 0.9800 . . no
C2105 H2105 0.9800 . . no
C210 C297 1.541(4) . . no
C210 C219 1.545(5) . . no
C210 C218 1.546(5) . . no
C211 C221 1.440(4) . . no
C11 C12 1.482(6) . . no
C211 C212 1.367(5) . . no
C12 C13 1.531(6) . . no
C212 C222 1.437(5) . . no
C213 C223 1.430(5) . . no
C213 C214 1.380(5) . . no
C13 C14 1.519(6) . . no
C214 C224 1.432(4) . . no
C215 C216 1.379(5) . . no
C215 C225 1.439(4) . . no
C15 C16 1.485(6) . . no
C216 C226 1.437(5) . . no
C16 C17 1.531(7) . . no
C217 C218 1.381(5) . . no
C217 C227 1.436(5) . . no
C17 C18 1.488(6) . . no
C218 C228 1.443(5) . . no
C219 C229 1.427(5) . . no
C19 C110 1.510(7) . . no
C219 C220 1.382(5) . . no
C220 C230 1.444(5) . . no
C221 C230 1.460(5) . . no
C221 C231 1.399(5) . . no
C222 C232 1.391(6) . . no
C222 C223 1.471(5) . . no
C223 C233 1.401(6) . . no
C224 C225 1.449(5) . . no
C224 C234 1.402(4) . . no
C225 C235 1.390(5) . . no
C226 C236 1.402(6) . . no
C226 C227 1.460(5) . . no
C227 C237 1.397(6) . . no
C228 C229 1.446(5) . . no
C228 C238 1.392(6) . . no
C229 C239 1.404(4) . . no
C230 C240 1.394(5) . . no
C231 C241 1.461(5) . . no
C231 C232 1.446(5) . . no
C232 C242 1.453(5) . . no
C233 C234 1.438(5) . . no
C233 C243 1.462(6) . . no
C234 C244 1.448(5) . . no
C235 C245 1.466(6) . . no
C235 C236 1.449(5) . . no
C236 C246 1.446(6) . . no
C237 C247 1.452(6) . . no
C237 C238 1.444(5) . . no
C238 C248 1.455(6) . . no
C239 C249 1.455(4) . . no
C239 C240 1.437(5) . . no
C240 C250 1.459(4) . . no
C241 C251 1.446(5) . . no
C241 C250 1.383(5) . . no
C242 C243 1.383(5) . . no
C242 C251 1.457(5) . . no
C243 C252 1.440(5) . . no
C244 C245 1.388(5) . . no
C244 C252 1.454(5) . . no
C245 C253 1.451(5) . . no
C246 C247 1.394(5) . . no
C246 C253 1.455(6) . . no
C247 C254 1.442(5) . . no
C248 C254 1.445(6) . . no
C248 C249 1.394(5) . . no
C249 C255 1.446(5) . . no
C250 C255 1.440(5) . . no
C251 C256 1.396(5) . . no
C252 C257 1.397(5) . . no
C253 C258 1.395(5) . . no
C254 C259 1.401(6) . . no
C255 C260 1.405(5) . . no
C256 C257 1.456(5) . . no
C256 C260 1.456(5) . . no
C257 C258 1.440(5) . . no
C258 C259 1.456(5) . . no
C259 C260 1.437(5) . . no
C261 C262 1.374(5) . . no
C261 C266 1.379(5) . . no
C262 C263 1.369(6) . . no
C263 C264 1.386(5) . . no
C264 C265 1.381(5) . . no
C264 C267 1.519(6) . . no
C265 C266 1.399(6) . . no
C267 C268 1.492(5) . . no
C268 C269 1.513(6) . . no
C270 C271 1.386(6) . . no
C270 C275 1.395(5) . . no
C271 C272 1.395(5) . . no
C272 C273 1.399(5) . . no
C273 C276 1.524(6) . . no
C273 C274 1.375(6) . . no
C274 C275 1.393(5) . . no
C276 C277 1.477(7) . . no
C277 C278 1.447(8) . . no
C279 C280 1.384(5) . . no
C279 C284 1.396(5) . . no
C280 C281 1.408(5) . . no
C281 C282 1.390(5) . . no
C282 C285 1.521(5) . . no
C282 C283 1.387(6) . . no
C283 C284 1.376(5) . . no
C285 C286 1.498(6) . . no
C286 C287 1.477(6) . . no
C288 C293 1.394(6) . . no
C288 C289 1.402(5) . . no
C289 C290 1.400(6) . . no
C290 C291 1.392(6) . . no
C291 C294 1.524(6) . . no
C291 C292 1.379(5) . . no
C292 C293 1.392(6) . . no
C294 C295 1.518(6) . . no
C295 C296 1.514(6) . . no
C297 C298 1.403(5) . . no
C298 C299 1.387(6) . . no
C110 C111 1.520(7) . . no
C11 H11 0.9900 . . no
C111 C112 1.487(8) . . no
C11 H11' 0.9900 . . no
C12 H12' 0.9900 . . no
C12 H12 0.9900 . . no
C13 H13' 0.9900 . . no
C13 H13 0.9900 . . no
C113 C114 1.496(9) . . no
C14 H14 0.9900 . . no
C14 H14' 0.9900 . . no
C114 C115 1.523(11) . . no
C115 C116 1.385(13) . . no
C15 H15' 0.9900 . . no
C15 H15 0.9900 . . no
C16 H16' 0.9900 . . no
C16 H16 0.9900 . . no
C17 H17 0.9900 . . no
C17 H17' 0.9900 . . no
C18 H18 0.9900 . . no
C18 H18' 0.9900 . . no
C19 H19' 0.9900 . . no
C19 H19 0.9900 . . no
C262 H262 0.9500 . . no
C263 H263 0.9500 . . no
C265 H265 0.9500 . . no
C266 H266 0.9500 . . no
C267 H267 0.9900 . . no
C267 H267' 0.9900 . . no
C268 H268 0.9900 . . no
C268 H268' 0.9900 . . no
C269 H269 0.9800 . . no
C269 H269" 0.9800 . . no
C269 H269' 0.9800 . . no
C271 H271 0.9500 . . no
C272 H272 0.9500 . . no
C274 H274 0.9500 . . no
C275 H275 0.9500 . . no
C276 H276 0.9900 . . no
C276 H276' 0.9900 . . no
C277 H277' 0.9900 . . no
C277 H277 0.9900 . . no
C278 H278' 0.9800 . . no
C278 H278" 0.9800 . . no
C278 H278 0.9800 . . no
C280 H280 0.9500 . . no
C281 H281 0.9500 . . no
C283 H283 0.9500 . . no
C284 H284 0.9500 . . no
C285 H285 0.9900 . . no
C285 H285' 0.9900 . . no
C286 H286 0.9900 . . no
C286 H286' 0.9900 . . no
C287 H287' 0.9800 . . no
C287 H287" 0.9800 . . no
C287 H287 0.9800 . . no
C289 H289 0.9500 . . no
C290 H290 0.9500 . . no
C292 H292 0.9500 . . no
C293 H293 0.9500 . . no
C294 H294' 0.9900 . . no
C294 H294 0.9900 . . no
C295 H295 0.9900 . . no
C295 H295' 0.9900 . . no
C296 H296" 0.9800 . . no
C296 H296 0.9800 . . no
C296 H296' 0.9800 . . no
C298 H298 0.9500 . . no
C299 H299 0.9500 . . no
C110 H110' 0.9900 . . no
C110 H110 0.9900 . . no
C111 H111' 0.9900 . . no
C111 H111 0.9900 . . no
C112 H112' 0.9900 . . no
C112 H112 0.9900 . . no
C113 H113' 0.9900 . . no
C113 H113 0.9900 . . no
C114 H114' 0.9900 . . no
C114 H114 0.9900 . . no
C115 H115' 0.9900 . . no
C115 H115 0.9900 . . no
C116 H116' 0.9900 . . no
C116 H116 0.9900 . . no
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
O11 O12 3.089(4) . . no
O11 O13 3.173(4) . . no
O11 O14 2.933(4) . . no
O11 C113 3.304(6) . . no
O12 O11 3.089(4) . . no
O12 O13 3.054(4) . . no
O12 O14 3.166(4) . . no
O13 O12 3.054(4) . . no
O13 O11 3.173(4) . . no
O14 C11 3.386(5) . . no
O14 O11 2.933(4) . . no
O14 O12 3.166(4) . . no
O11 H113' 2.8000 . . no
O13 H18' 2.8900 . . no
C2104 C112 3.567(7) . . no
C2105 C294 3.518(6) . 2_545 no
C11 C113 3.600(7) . . no
C12 C259 3.565(6) . 1_455 no
C12 C258 3.400(6) . 1_455 no
C13 C292 3.592(5) . . no
C13 C258 3.287(6) . 1_455 no
C13 C259 3.515(6) . 1_455 no
C18 C215 3.549(6) . 2_645 no
C23 C271 3.597(5) . . no
C2100 H14 2.9900 . . no
C2101 H14 3.0400 . . no
C2101 H13 3.0700 . . no
C2103 H278 2.8600 . 3_655 no
C2104 H112 3.0500 . . no
C2105 H294 3.0900 . 2_545 no
C112 C2104 3.567(7) . . no
C13 H2104' 3.1000 . . no
C113 C11 3.600(7) . . no
C115 C266 3.568(10) . 2_655 no
C16 H295' 3.0000 . 2_645 no
C21 H269 2.8500 . 3_655 no
C22 H269 2.9700 . 3_655 no
C22 H271 2.7400 . . no
C23 H293 3.0900 . . no
C23 H271 2.9700 . . no
C23 H280 2.6400 . . no
C24 H293 2.4300 . . no
C25 H293 3.0700 . . no
C25 H269 2.9800 . 3_655 no
C25 H2102 2.6500 . . no
C211 C231 3.395(5) . 3_755 no
C112 H2104 3.0300 . . no
C113 H15 3.0800 . . no
C114 H278' 2.9300 . 4_555 no
C114 H266 3.0500 . 2_655 no
C114 H15 3.0200 . . no
C215 C18 3.549(6) . 2_655 no
C219 C266 3.600(5) . . no
C221 C221 3.554(5) . 3_755 no
C221 C231 3.555(5) . 3_755 no
C224 C284 3.427(5) . . no
C225 C284 3.525(5) . . no
C228 C298 3.512(6) . . no
C229 C298 3.423(5) . . no
C231 C211 3.395(5) . 3_755 no
C231 C221 3.555(5) . 3_755 no
C231 C262 3.542(6) . 3_755 no
C241 C263 3.572(5) . 3_755 no
C241 C262 3.437(5) . 3_755 no
C242 C263 3.528(5) . 3_755 no
C248 C295 3.519(6) . 2_645 no
C251 C263 3.200(5) . 3_755 no
C251 C262 3.556(5) . 3_755 no
C258 C12 3.400(6) . 1_655 no
C258 C13 3.287(6) . 1_655 no
C259 C12 3.565(6) . 1_655 no
C259 C13 3.515(6) . 1_655 no
C262 C251 3.556(5) . 3_755 no
C262 C241 3.437(5) . 3_755 no
C262 C231 3.542(6) . 3_755 no
C263 C251 3.200(5) . 3_755 no
C263 C242 3.528(5) . 3_755 no
C263 C241 3.572(5) . 3_755 no
C264 C264 3.553(6) . 3_655 no
C266 C219 3.600(5) . . no
C266 C115 3.568(10) . 2_645 no
C271 C23 3.597(5) . . no
C272 C278 3.409(6) . . no
C278 C272 3.409(6) . . no
C281 C287 3.587(6) . . no
C284 C225 3.525(5) . . no
C284 C224 3.427(5) . . no
C287 C281 3.587(6) . . no
C292 C296 3.319(6) . . no
C292 C13 3.592(5) . . no
C294 C2105 3.518(6) . 2_555 no
C295 C248 3.519(6) . 2_655 no
C296 C292 3.319(6) . . no
C298 C229 3.423(5) . . no
C298 C228 3.512(6) . . no
C211 H262 2.8200 . . no
C212 H275 2.5700 . . no
C212 H262 3.0500 . . no
C213 H19 3.0100 . 4_554 no
C214 H284 2.7600 . . no
C215 H284 3.0300 . . no
C215 H18' 3.0100 . 2_655 no
C216 H18 3.0500 . 2_655 no
C216 H289 3.0100 . . no
C217 H289 3.0900 . . no
C218 H15' 2.8900 . . no
C218 H298 2.9500 . . no
C219 H266 2.9700 . . no
C219 H298 2.8000 . . no
C220 H266 2.5900 . . no
C222 H116 2.9200 . 4_554 no
C223 H116 2.9300 . 4_554 no
C224 H284 2.8200 . . no
C224 H110' 3.0200 . 2_655 no
C225 H284 2.9900 . . no
C228 H15' 3.0100 . . no
C228 H298 2.9300 . . no
C229 H290 3.1000 . 2_645 no
C229 H298 2.8300 . . no
C230 H113 3.1000 . 2_645 no
C234 H283 2.9400 . 3_765 no
C235 H112 2.9900 . 2_655 no
C237 H277' 2.9800 . 4_555 no
C239 H113 3.0400 . 2_645 no
C240 H113 2.9900 . 2_645 no
C244 H285 3.0100 . 3_765 no
C246 H2105" 2.7700 . 2_655 no
C247 H277' 3.0400 . 4_555 no
C248 H294' 3.1000 . 2_645 no
C248 H295' 3.0800 . 2_645 no
C249 H2105 3.0100 . 1_655 no
C249 H294' 2.8400 . 2_645 no
C251 H263 3.0400 . 3_755 no
C253 H2105" 2.9100 . 2_655 no
C255 H2105 2.8300 . 1_655 no
C258 H12 3.1000 . 1_655 no
C258 H13 2.9600 . 1_655 no
C259 H13 2.8800 . 1_655 no
C260 H2103' 3.0800 . 1_655 no
C264 H267 2.9700 . 3_655 no
C265 H115' 2.8000 . 2_645 no
C265 H268 2.9800 . . no
C265 H268' 2.7300 . . no
C265 H267 2.8500 . 3_655 no
C266 H267 3.0100 . 3_655 no
C266 H115' 2.7000 . 2_645 no
C266 H114 3.0800 . 2_645 no
C268 H265 2.6100 . . no
C268 H286' 2.9600 . 1_545 no
C269 H293 2.9200 . 3_655 no
C269 H286' 2.9600 . 1_545 no
C269 H280 3.0100 . 3_655 no
C269 H2102 3.1000 . 3_655 no
C270 H262 2.8600 . . no
C270 H19 2.7500 . 4_554 no
C271 H19 2.9700 . 4_554 no
C271 H110 3.0600 . 4_554 no
C272 H277 2.8100 . . no
C272 H111' 2.8700 . 4_554 no
C272 H278" 2.8800 . . no
C273 H278" 2.7600 . . no
C274 H11' 2.9500 . 4_554 no
C275 H19 2.9500 . 4_554 no
C275 H262 2.7400 . . no
C277 H272 2.8200 . . no
C278 H265 3.0800 . 3_655 no
C279 H271 2.9400 . . no
C280 H271 2.6900 . . no
C281 H287" 3.0000 . . no
C282 H287" 2.7400 . . no
C283 H286 2.9100 . . no
C283 H110 3.0100 . 4_554 no
C284 H110 2.9400 . 4_554 no
C286 H268' 2.9700 . 1_565 no
C287 H268' 3.0900 . 1_565 no
C287 H115 3.0900 . 2_655 no
C288 H17 3.0700 . 2_655 no
C288 H14' 3.0400 . . no
C289 H17 2.9400 . 2_655 no
C290 H17 3.0700 . 2_655 no
C290 H16' 2.9500 . 2_655 no
C291 H296 2.8600 . . no
C291 H13' 3.0900 . . no
C292 H296 2.8300 . . no
C292 H13' 2.7200 . . no
C293 H14' 3.0900 . . no
C293 H280 3.0400 . . no
C294 H2105' 3.0700 . 2_555 no
C296 H292 3.0700 . . no
C298 H15' 2.9900 . . no
C299 H14 3.0500 . . no
C299 H2104 2.9300 . . no
H110' C224 3.0200 . 2_645 no
H111' C272 2.8700 . 4_455 no
H113' O11 2.8000 . . no
H114' H15 2.3500 . . no
H114' H278' 2.5400 . 4_555 no
H115' C266 2.7000 . 2_655 no
H115' C265 2.8000 . 2_655 no
H115' H266 2.5300 . 2_655 no
H267' H269" 2.4100 . . no
H267' H263 2.5900 . . no
H268' C265 2.7300 . . no
H268' C286 2.9700 . 1_545 no
H268' C287 3.0900 . 1_545 no
H268' H286' 2.2300 . 1_545 no
H268' H265 2.3100 . . no
H269' H280 2.4000 . 3_655 no
H11' C274 2.9500 . 4_455 no
H11' H274 2.4800 . 4_455 no
H269" H293 2.5200 . 3_655 no
H269" H267' 2.4100 . . no
H12 C258 3.1000 . 1_455 no
H276' H278 2.4700 . . no
H276' H274 2.3500 . . no
H13 C258 2.9600 . 1_455 no
H13 C259 2.8800 . 1_455 no
H13 H2104' 2.2900 . . no
H13 C2101 3.0700 . . no
H13' C291 3.0900 . . no
H13' C292 2.7200 . . no
H277' C237 2.9800 . 4_454 no
H277' C247 3.0400 . 4_454 no
H14 C2100 2.9900 . . no
H14 C299 3.0500 . . no
H14 C2101 3.0400 . . no
H14' C293 3.0900 . . no
H14' C288 3.0400 . . no
H278' C114 2.9300 . 4_454 no
H278' H114' 2.5400 . 4_454 no
H15 C113 3.0800 . . no
H15 C114 3.0200 . . no
H15 H114' 2.3500 . . no
H15' C218 2.8900 . . no
H15' C228 3.0100 . . no
H15' C298 2.9900 . . no
H278" H268 2.5400 . 3_655 no
H278" C272 2.8800 . . no
H278" C273 2.7600 . . no
H16' H295' 2.3600 . 2_645 no
H16' C290 2.9500 . 2_645 no
H285' H287 2.4800 . . no
H285' H281 2.5900 . 3_665 no
H285' H281 2.4200 . . no
H17 C290 3.0700 . 2_645 no
H17 C288 3.0700 . 2_645 no
H17 C289 2.9400 . 2_645 no
H17' H287" 2.5400 . 2_645 no
H286' C268 2.9600 . 1_565 no
H286' H268' 2.2300 . 1_565 no
H286' C269 2.9600 . 1_565 no
H18 C216 3.0500 . 2_645 no
H18' O13 2.8900 . . no
H18' C215 3.0100 . 2_645 no
H287' H115 2.4600 . 2_655 no
H19 C213 3.0100 . 4_455 no
H19 C270 2.7500 . 4_455 no
H19 C271 2.9700 . 4_455 no
H19 C275 2.9500 . 4_455 no
H287" C282 2.7400 . . no
H287" H17' 2.5400 . 2_655 no
H287" C281 3.0000 . . no
H294' H290 2.4700 . . no
H294' C249 2.8400 . 2_655 no
H294' C248 3.1000 . 2_655 no
H295' C16 3.0000 . 2_655 no
H295' C248 3.0800 . 2_655 no
H295' H16' 2.3600 . 2_655 no
H296" H294 2.5600 . . no
H2101 H2103' 2.3900 . . no
H2102 C25 2.6500 . . no
H2102 C269 3.1000 . 3_655 no
H2102 H269 2.5100 . 3_655 no
H2103 H299 2.5800 . . no
H2103 H278 2.3100 . 3_655 no
H2103 H2105" 2.5400 . . no
H2103' C260 3.0800 . 1_455 no
H2103' H2101 2.3900 . . no
H2103' H2105 2.5500 . . no
H2104 C112 3.0300 . . no
H2104 C299 2.9300 . . no
H2104 H112 2.3300 . . no
H2104' H13 2.2900 . . no
H2104' C13 3.1000 . . no
H2105 H2103' 2.5500 . . no
H2105 C249 3.0100 . 1_455 no
H2105 C255 2.8300 . 1_455 no
H2105' H295 2.4700 . 2_545 no
H2105' C294 3.0700 . 2_545 no
H2105" C246 2.7700 . 2_645 no
H2105" C253 2.9100 . 2_645 no
H2105" H2103 2.5400 . . no
H110 C284 2.9400 . 4_455 no
H110 C283 3.0100 . 4_455 no
H110 C271 3.0600 . 4_455 no
H112 H2104 2.3300 . . no
H112 C235 2.9900 . 2_645 no
H112 C2104 3.0500 . . no
H113 C230 3.1000 . 2_655 no
H113 C239 3.0400 . 2_655 no
H113 C240 2.9900 . 2_655 no
H114 H266 2.2600 . 2_655 no
H114 C266 3.0800 . 2_655 no
H115 C287 3.0900 . 2_645 no
H115 H287' 2.4600 . 2_645 no
H115 H286 2.5800 . 2_645 no
H116 C222 2.9200 . 4_455 no
H116 C223 2.9300 . 4_455 no
H262 C211 2.8200 . . no
H262 C270 2.8600 . . no
H262 C275 2.7400 . . no
H262 C212 3.0500 . . no
H263 H267' 2.5900 . . no
H263 C251 3.0400 . 3_755 no
H265 C268 2.6100 . . no
H265 H268' 2.3100 . . no
H265 H268 2.4500 . . no
H265 C278 3.0800 . 3_655 no
H266 C219 2.9700 . . no
H266 H115' 2.5300 . 2_645 no
H266 H114 2.2600 . 2_645 no
H266 C114 3.0500 . 2_645 no
H266 C220 2.5900 . . no
H267 C265 2.8500 . 3_655 no
H267 C264 2.9700 . 3_655 no
H267 C266 3.0100 . 3_655 no
H268 H265 2.4500 . . no
H268 C265 2.9800 . . no
H268 H278" 2.5400 . 3_655 no
H269 C22 2.9700 . 3_655 no
H269 C21 2.8500 . 3_655 no
H269 C25 2.9800 . 3_655 no
H269 H2102 2.5100 . 3_655 no
H271 C279 2.9400 . . no
H271 C22 2.7400 . . no
H271 C23 2.9700 . . no
H271 C280 2.6900 . . no
H271 H280 2.6000 . . no
H272 C277 2.8200 . . no
H272 H277 2.3000 . . no
H274 H276' 2.3500 . . no
H274 H11' 2.4800 . 4_554 no
H275 C212 2.5700 . . no
H277 C272 2.8100 . . no
H277 H272 2.3000 . . no
H278 H276' 2.4700 . . no
H278 C2103 2.8600 . 3_655 no
H278 H2103 2.3100 . 3_655 no
H280 H269' 2.4000 . 3_655 no
H280 C23 2.6400 . . no
H280 C293 3.0400 . . no
H280 C269 3.0100 . 3_655 no
H280 H293 2.5900 . . no
H280 H271 2.6000 . . no
H281 H285' 2.4200 . . no
H281 H285' 2.5900 . 3_665 no
H283 H286 2.6000 . . no
H283 H285 2.6000 . . no
H283 C234 2.9400 . 3_765 no
H284 C214 2.7600 . . no
H284 C215 3.0300 . . no
H284 C225 2.9900 . . no
H284 C224 2.8200 . . no
H285 H283 2.6000 . . no
H285 C244 3.0100 . 3_765 no
H286 H283 2.6000 . . no
H286 H115 2.5800 . 2_655 no
H286 C283 2.9100 . . no
H287 H285' 2.4800 . . no
H289 C216 3.0100 . . no
H289 C217 3.0900 . . no
H290 C229 3.1000 . 2_655 no
H290 H294' 2.4700 . . no
H292 C296 3.0700 . . no
H292 H294 2.4500 . . no
H293 C23 3.0900 . . no
H293 C25 3.0700 . . no
H293 H280 2.5900 . . no
H293 C269 2.9200 . 3_655 no
H293 H269" 2.5200 . 3_655 no
H293 C24 2.4300 . . no
H294 H296" 2.5600 . . no
H294 H292 2.4500 . . no
H294 C2105 3.0900 . 2_555 no
H295 H2105' 2.4700 . 2_555 no
H296 C291 2.8600 . . no
H296 C292 2.8300 . . no
H298 C219 2.8000 . . no
H298 C218 2.9500 . . no
H298 C228 2.9300 . . no
H298 C229 2.8300 . . no
H299 H2103 2.5800 . . no
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C11 O11 Li1 O14 -57.3(5) . . . . no
C14 O11 Li1 O12 10.3(7) . . . . no
C14 O11 Li1 O13 -107.7(5) . . . . no
C14 O11 Li1 O14 127.9(4) . . . . no
C11 O11 C14 C13 -29.7(4) . . . . no
Li1 O11 C14 C13 145.6(4) . . . . no
C11 O11 Li1 O12 -174.9(4) . . . . no
C11 O11 Li1 O13 67.1(6) . . . . no
C14 O11 C11 C12 38.4(4) . . . . no
Li1 O11 C11 C12 -137.6(4) . . . . no
C15 O12 Li1 O11 64.8(5) . . . . no
C18 O12 C15 C16 -28.4(4) . . . . no
Li1 O12 C15 C16 135.8(4) . . . . no
C15 O12 C18 C17 38.8(4) . . . . no
Li1 O12 C18 C17 -124.4(4) . . . . no
C15 O12 Li1 O14 -45.1(5) . . . . no
C18 O12 Li1 O11 -134.9(4) . . . . no
C15 O12 Li1 O13 -173.4(3) . . . . no
C18 O12 Li1 O14 115.2(5) . . . . no
C18 O12 Li1 O13 -13.1(6) . . . . no
C112 O13 Li1 O11 38.8(6) . . . . no
C19 O13 Li1 O14 -21.0(7) . . . . no
C112 O13 C19 C110 12.3(5) . . . . no
Li1 O13 C19 C110 -172.4(4) . . . . no
C112 O13 Li1 O12 -80.4(5) . . . . no
C112 O13 Li1 O14 153.9(4) . . . . no
C19 O13 Li1 O12 104.8(5) . . . . no
C19 O13 Li1 O11 -136.1(4) . . . . no
C19 O13 C112 C111 8.5(6) . . . . no
Li1 O13 C112 C111 -167.4(4) . . . . no
Li1 O14 C113 C114 -115.2(5) . . . . no
C113 O14 C116 C115 -27.5(8) . . . . no
Li1 O14 C116 C115 121.6(7) . . . . no
C113 O14 Li1 O11 -39.6(5) . . . . no
C116 O14 C113 C114 33.7(6) . . . . no
C116 O14 Li1 O11 177.1(4) . . . . no
C116 O14 Li1 O12 -67.8(5) . . . . no
C116 O14 Li1 O13 55.1(6) . . . . no
C113 O14 Li1 O13 -161.6(4) . . . . no
C113 O14 Li1 O12 75.4(5) . . . . no
C2101 C2100 C299 C298 0.5(5) . . . . no
C299 C2100 C2103 C2104 72.5(4) . . . . no
C2103 C2100 C2101 C2102 177.8(3) . . . . no
C299 C2100 C2101 C2102 -0.4(6) . . . . no
C2101 C2100 C2103 C2104 -105.6(4) . . . . no
C2103 C2100 C299 C298 -177.6(3) . . . . no
C2100 C2101 C2102 C297 0.4(6) . . . . no
C2101 C2102 C297 C298 -0.5(5) . . . . no
C2101 C2102 C297 C210 176.3(3) . . . . no
C2100 C2103 C2104 C2105 -179.5(3) . . . . no
C26 C21 C25 C24 159.4(3) . . . . no
C26 C21 C25 C210 1.1(5) . . . . no
C22 C21 C25 C210 -159.1(3) . . . . no
C25 C21 C26 C220 -26.0(4) . . . . no
C25 C21 C26 C261 101.2(4) . . . . no
C25 C21 C22 C27 159.6(3) . . . . no
C22 C21 C26 C211 24.9(4) . . . . no
C22 C21 C26 C220 131.0(3) . . . . no
C22 C21 C26 C261 -101.8(3) . . . . no
C25 C21 C26 C211 -132.1(3) . . . . no
C22 C21 C25 C24 -0.8(3) . . . . no
C25 C21 C22 C23 -0.1(3) . . . . no
C26 C21 C22 C23 -160.1(3) . . . . no
C26 C21 C22 C27 -0.4(5) . . . . no
C21 C22 C23 C24 1.1(3) . . . . no
C27 C22 C23 C24 -158.6(3) . . . . no
C27 C22 C23 C28 -1.1(5) . . . . no
C21 C22 C27 C212 -24.9(4) . . . . no
C21 C22 C27 C213 -131.2(3) . . . . no
C21 C22 C27 C270 102.2(4) . . . . no
C23 C22 C27 C212 131.6(3) . . . . no
C21 C22 C23 C28 158.5(3) . . . . no
C23 C22 C27 C270 -101.3(4) . . . . no
C23 C22 C27 C213 25.3(4) . . . . no
C22 C23 C24 C29 160.3(3) . . . . no
C28 C23 C24 C25 -159.2(3) . . . . no
C22 C23 C28 C214 -24.3(4) . . . . no
C22 C23 C28 C215 -130.4(3) . . . . no
C28 C23 C24 C29 2.6(5) . . . . no
C22 C23 C24 C25 -1.6(3) . . . . no
C24 C23 C28 C215 23.5(4) . . . . no
C22 C23 C28 C279 102.4(4) . . . . no
C24 C23 C28 C214 129.7(3) . . . . no
C24 C23 C28 C279 -103.7(4) . . . . no
C23 C24 C29 C216 -27.0(4) . . . . no
C25 C24 C29 C288 -102.0(4) . . . . no
C23 C24 C25 C210 159.6(3) . . . . no
C29 C24 C25 C21 -160.3(3) . . . . no
C23 C24 C29 C217 -133.3(3) . . . . no
C23 C24 C29 C288 99.0(4) . . . . no
C25 C24 C29 C216 132.0(3) . . . . no
C25 C24 C29 C217 25.7(4) . . . . no
C23 C24 C25 C21 1.5(3) . . . . no
C29 C24 C25 C210 -2.3(5) . . . . no
C24 C25 C210 C219 -129.5(3) . . . . no
C21 C25 C210 C297 -99.5(4) . . . . no
C24 C25 C210 C218 -22.9(4) . . . . no
C24 C25 C210 C297 106.0(4) . . . . no
C21 C25 C210 C218 131.6(3) . . . . no
C21 C25 C210 C219 25.0(4) . . . . no
C21 C26 C220 C230 -126.1(3) . . . . no
C21 C26 C261 C262 77.3(4) . . . . no
C21 C26 C261 C266 -98.8(4) . . . . no
C211 C26 C261 C262 -44.7(4) . . . . no
C211 C26 C220 C230 -15.8(3) . . . . no
C21 C26 C211 C212 -24.3(4) . . . . no
C220 C26 C211 C212 -135.1(3) . . . . no
C261 C26 C211 C212 101.7(4) . . . . no
C21 C26 C211 C221 126.2(3) . . . . no
C220 C26 C211 C221 15.4(3) . . . . no
C261 C26 C211 C221 -107.8(3) . . . . no
C261 C26 C220 C219 -101.5(4) . . . . no
C211 C26 C261 C266 139.2(3) . . . . no
C261 C26 C220 C230 107.4(3) . . . . no
C220 C26 C261 C262 -159.8(3) . . . . no
C220 C26 C261 C266 24.1(4) . . . . no
C21 C26 C220 C219 25.0(4) . . . . no
C211 C26 C220 C219 135.2(3) . . . . no
C212 C27 C270 C275 -13.6(5) . . . . no
C212 C27 C270 C271 165.5(3) . . . . no
C212 C27 C213 C223 15.7(3) . . . . no
C213 C27 C270 C271 -80.7(4) . . . . no
C213 C27 C270 C275 100.2(4) . . . . no
C22 C27 C270 C271 42.2(5) . . . . no
C212 C27 C213 C214 -134.8(3) . . . . no
C270 C27 C213 C214 103.7(4) . . . . no
C270 C27 C212 C222 105.7(3) . . . . no
C22 C27 C270 C275 -136.9(4) . . . . no
C22 C27 C213 C214 -24.1(4) . . . . no
C270 C27 C212 C211 -102.6(4) . . . . no
C22 C27 C212 C211 25.4(4) . . . . no
C22 C27 C213 C223 126.4(3) . . . . no
C213 C27 C212 C211 135.9(3) . . . . no
C22 C27 C212 C222 -126.3(3) . . . . no
C213 C27 C212 C222 -15.7(3) . . . . no
C270 C27 C213 C223 -105.9(3) . . . . no
C23 C28 C215 C225 126.4(3) . . . . no
C215 C28 C279 C280 -115.3(3) . . . . no
C214 C28 C279 C284 -44.4(4) . . . . no
C215 C28 C214 C224 -15.9(3) . . . . no
C23 C28 C214 C224 -126.7(3) . . . . no
C279 C28 C214 C224 102.6(3) . . . . no
C215 C28 C279 C284 66.9(4) . . . . no
C279 C28 C215 C225 -102.5(3) . . . . no
C279 C28 C215 C216 106.1(4) . . . . no
C214 C28 C215 C225 15.9(3) . . . . no
C23 C28 C279 C280 9.4(5) . . . . no
C23 C28 C214 C213 25.4(4) . . . . no
C215 C28 C214 C213 136.2(3) . . . . no
C279 C28 C214 C213 -105.3(4) . . . . no
C214 C28 C279 C280 133.4(3) . . . . no
C23 C28 C215 C216 -25.0(4) . . . . no
C23 C28 C279 C284 -168.4(3) . . . . no
C214 C28 C215 C216 -135.6(3) . . . . no
C24 C29 C288 C293 1.1(5) . . . . no
C288 C29 C216 C215 -100.9(4) . . . . no
C24 C29 C216 C215 25.4(4) . . . . no
C217 C29 C288 C289 60.5(4) . . . . no
C288 C29 C217 C227 -107.7(3) . . . . no
C288 C29 C216 C226 108.0(3) . . . . no
C217 C29 C216 C215 136.0(3) . . . . no
C24 C29 C217 C227 125.2(3) . . . . no
C216 C29 C288 C293 123.3(3) . . . . no
C217 C29 C288 C293 -122.1(3) . . . . no
C216 C29 C288 C289 -54.2(4) . . . . no
C24 C29 C288 C289 -176.4(3) . . . . no
C288 C29 C217 C218 102.9(4) . . . . no
C216 C29 C217 C227 14.5(3) . . . . no
C217 C29 C216 C226 -15.1(3) . . . . no
C216 C29 C217 C218 -134.9(3) . . . . no
C24 C29 C216 C226 -125.7(3) . . . . no
C24 C29 C217 C218 -24.2(4) . . . . no
C219 C210 C218 C228 -14.8(3) . . . . no
C218 C210 C219 C229 15.2(3) . . . . no
C297 C210 C219 C220 103.3(4) . . . . no
C218 C210 C219 C220 -136.9(3) . . . . no
C219 C210 C297 C298 51.3(4) . . . . no
C25 C210 C219 C220 -26.0(4) . . . . no
C219 C210 C218 C217 135.4(3) . . . . no
C218 C210 C297 C298 -60.2(4) . . . . no
C25 C210 C219 C229 126.0(3) . . . . no
C297 C210 C218 C228 102.6(3) . . . . no
C25 C210 C218 C228 -126.0(3) . . . . no
C25 C210 C218 C217 24.2(4) . . . . no
C297 C210 C218 C217 -107.3(4) . . . . no
C219 C210 C297 C2102 -125.4(3) . . . . no
C297 C210 C219 C229 -104.7(3) . . . . no
C218 C210 C297 C2102 123.0(4) . . . . no
C25 C210 C297 C2102 -2.5(5) . . . . no
C25 C210 C297 C298 174.3(3) . . . . no
C212 C211 C221 C231 -3.4(5) . . . . no
C212 C211 C221 C230 142.0(3) . . . . no
C221 C211 C212 C27 -148.5(3) . . . . no
O11 C11 C12 C13 -30.8(5) . . . . no
C26 C211 C212 C222 148.5(3) . . . . no
C26 C211 C221 C231 -155.4(3) . . . . no
C221 C211 C212 C222 0.8(5) . . . . no
C26 C211 C212 C27 -0.8(5) . . . . no
C26 C211 C221 C230 -10.1(4) . . . . no
C211 C212 C222 C232 2.3(5) . . . . no
C211 C212 C222 C223 -142.7(3) . . . . no
C27 C212 C222 C223 10.6(4) . . . . no
C11 C12 C13 C14 13.0(5) . . . . no
C27 C212 C222 C232 155.5(3) . . . . no
C27 C213 C214 C224 148.3(3) . . . . no
C27 C213 C214 C28 -1.3(5) . . . . no
C223 C213 C214 C28 -149.2(3) . . . . no
C12 C13 C14 O11 9.6(4) . . . . no
C27 C213 C223 C222 -10.5(4) . . . . no
C214 C213 C223 C222 141.6(3) . . . . no
C27 C213 C223 C233 -155.5(3) . . . . no
C223 C213 C214 C224 0.4(5) . . . . no
C214 C213 C223 C233 -3.5(5) . . . . no
C213 C214 C224 C234 3.1(5) . . . . no
C213 C214 C224 C225 -142.9(3) . . . . no
C28 C214 C224 C225 10.7(4) . . . . no
C28 C214 C224 C234 156.6(3) . . . . no
C216 C215 C225 C224 142.4(3) . . . . no
C225 C215 C216 C29 -148.5(3) . . . . no
O12 C15 C16 C17 7.4(5) . . . . no
C216 C215 C225 C235 -3.4(5) . . . . no
C28 C215 C225 C235 -156.5(3) . . . . no
C28 C215 C216 C226 148.9(3) . . . . no
C225 C215 C216 C226 0.0(5) . . . . no
C28 C215 C225 C224 -10.8(4) . . . . no
C28 C215 C216 C29 0.4(5) . . . . no
C215 C216 C226 C227 -141.6(3) . . . . no
C15 C16 C17 C18 15.4(5) . . . . no
C215 C216 C226 C236 2.5(5) . . . . no
C29 C216 C226 C236 154.9(3) . . . . no
C29 C216 C226 C227 10.8(4) . . . . no
C29 C217 C218 C228 147.0(3) . . . . no
C227 C217 C218 C210 -147.1(3) . . . . no
C218 C217 C227 C226 141.5(3) . . . . no
C218 C217 C227 C237 -3.9(5) . . . . no
C29 C217 C218 C210 -0.6(5) . . . . no
C227 C217 C218 C228 0.6(5) . . . . no
C29 C217 C227 C237 -154.6(3) . . . . no
C16 C17 C18 O12 -32.9(5) . . . . no
C29 C217 C227 C226 -9.2(4) . . . . no
C210 C218 C228 C229 9.6(4) . . . . no
C217 C218 C228 C229 -142.6(3) . . . . no
C217 C218 C228 C238 3.5(5) . . . . no
C210 C218 C228 C238 155.7(3) . . . . no
C210 C219 C229 C239 -156.9(3) . . . . no
O13 C19 C110 C111 -27.3(5) . . . . no
C220 C219 C229 C228 142.5(3) . . . . no
C210 C219 C229 C228 -10.5(4) . . . . no
C220 C219 C229 C239 -3.9(5) . . . . no
C210 C219 C220 C230 149.9(3) . . . . no
C229 C219 C220 C230 0.7(5) . . . . no
C210 C219 C220 C26 1.0(5) . . . . no
C229 C219 C220 C26 -148.2(3) . . . . no
C26 C220 C230 C221 10.9(4) . . . . no
C26 C220 C230 C240 155.8(3) . . . . no
C219 C220 C230 C240 2.9(5) . . . . no
C219 C220 C230 C221 -142.0(3) . . . . no
C211 C221 C230 C240 -145.9(3) . . . . no
C231 C221 C230 C220 145.9(3) . . . . no
C231 C221 C230 C240 0.4(5) . . . . no
C211 C221 C230 C220 -0.4(4) . . . . no
C211 C221 C231 C232 2.8(5) . . . . no
C211 C221 C231 C241 140.1(3) . . . . no
C230 C221 C231 C232 -139.2(3) . . . . no
C230 C221 C231 C241 -2.0(5) . . . . no
C212 C222 C232 C242 -139.6(4) . . . . no
C212 C222 C223 C233 146.0(3) . . . . no
C212 C222 C223 C213 0.0(4) . . . . no
C223 C222 C232 C231 138.6(4) . . . . no
C223 C222 C232 C242 1.7(5) . . . . no
C212 C222 C232 C231 -2.8(5) . . . . no
C232 C222 C223 C233 -0.3(5) . . . . no
C232 C222 C223 C213 -146.3(3) . . . . no
C213 C223 C233 C243 140.0(4) . . . . no
C213 C223 C233 C234 3.1(5) . . . . no
C222 C223 C233 C234 -138.3(4) . . . . no
C222 C223 C233 C243 -1.5(5) . . . . no
C234 C224 C225 C215 -146.5(3) . . . . no
C234 C224 C225 C235 0.0(5) . . . . no
C214 C224 C225 C235 146.5(3) . . . . no
C225 C224 C234 C244 1.5(5) . . . . no
C214 C224 C234 C233 -3.4(5) . . . . no
C214 C224 C225 C215 0.0(4) . . . . no
C214 C224 C234 C244 -140.8(3) . . . . no
C225 C224 C234 C233 138.9(3) . . . . no
C215 C225 C235 C236 4.1(5) . . . . no
C215 C225 C235 C245 140.3(4) . . . . no
C224 C225 C235 C236 -137.9(3) . . . . no
C224 C225 C235 C245 -1.8(5) . . . . no
C216 C226 C227 C217 -0.9(4) . . . . no
C236 C226 C227 C237 0.7(5) . . . . no
C216 C226 C227 C237 145.6(3) . . . . no
C236 C226 C227 C217 -145.8(3) . . . . no
C216 C226 C236 C246 -139.8(4) . . . . no
C227 C226 C236 C235 138.7(3) . . . . no
C227 C226 C236 C246 0.6(5) . . . . no
C216 C226 C236 C235 -1.7(5) . . . . no
C226 C227 C237 C247 -1.9(5) . . . . no
C217 C227 C237 C247 140.1(4) . . . . no
C217 C227 C237 C238 3.2(5) . . . . no
C226 C227 C237 C238 -138.9(4) . . . . no
C238 C228 C229 C219 -146.4(3) . . . . no
C218 C228 C238 C237 -4.2(5) . . . . no
C218 C228 C238 C248 -140.7(4) . . . . no
C229 C228 C238 C237 138.2(4) . . . . no
C229 C228 C238 C248 1.7(5) . . . . no
C218 C228 C229 C239 147.1(3) . . . . no
C238 C228 C229 C239 0.2(5) . . . . no
C218 C228 C229 C219 0.6(4) . . . . no
C219 C229 C239 C240 3.4(5) . . . . no
C228 C229 C239 C240 -139.2(3) . . . . no
C228 C229 C239 C249 -1.8(5) . . . . no
C219 C229 C239 C249 140.9(3) . . . . no
C220 C230 C240 C239 -3.4(5) . . . . no
C221 C230 C240 C239 137.4(3) . . . . no
C221 C230 C240 C250 1.7(5) . . . . no
C220 C230 C240 C250 -139.0(4) . . . . no
C221 C231 C232 C222 0.2(5) . . . . no
C241 C231 C232 C242 -0.1(4) . . . . no
C241 C231 C232 C222 -141.8(3) . . . . no
C221 C231 C241 C251 -141.4(3) . . . . no
C232 C231 C241 C250 142.9(4) . . . . no
C221 C231 C241 C250 1.6(5) . . . . no
C221 C231 C232 C242 141.9(3) . . . . no
C232 C231 C241 C251 0.0(4) . . . . no
C222 C232 C242 C251 140.7(3) . . . . no
C231 C232 C242 C251 0.1(4) . . . . no
C231 C232 C242 C243 -142.0(4) . . . . no
C222 C232 C242 C243 -1.4(5) . . . . no
C234 C233 C243 C252 -0.3(4) . . . . no
C223 C233 C234 C224 0.3(5) . . . . no
C234 C233 C243 C242 142.8(3) . . . . no
C243 C233 C234 C224 -141.6(3) . . . . no
C223 C233 C243 C252 -141.3(3) . . . . no
C223 C233 C243 C242 1.8(5) . . . . no
C223 C233 C234 C244 142.2(3) . . . . no
C243 C233 C234 C244 0.2(4) . . . . no
C224 C234 C244 C245 -1.1(5) . . . . no
C233 C234 C244 C252 -0.1(4) . . . . no
C224 C234 C244 C252 141.2(3) . . . . no
C233 C234 C244 C245 -142.4(3) . . . . no
C245 C235 C236 C226 -142.6(3) . . . . no
C245 C235 C236 C246 0.2(4) . . . . no
C225 C235 C236 C246 141.2(3) . . . . no
C236 C235 C245 C253 -0.3(4) . . . . no
C225 C235 C245 C244 2.2(5) . . . . no
C236 C235 C245 C244 142.7(3) . . . . no
C225 C235 C236 C226 -1.6(5) . . . . no
C225 C235 C245 C253 -140.9(3) . . . . no
C226 C236 C246 C247 -0.6(5) . . . . no
C235 C236 C246 C247 -142.5(3) . . . . no
C226 C236 C246 C253 141.9(3) . . . . no
C235 C236 C246 C253 -0.1(4) . . . . no
C247 C237 C238 C248 -0.1(4) . . . . no
C247 C237 C238 C228 -141.4(3) . . . . no
C238 C237 C247 C246 143.0(3) . . . . no
C227 C237 C247 C246 1.9(5) . . . . no
C227 C237 C238 C248 142.1(3) . . . . no
C227 C237 C247 C254 -141.3(3) . . . . no
C227 C237 C238 C228 0.8(5) . . . . no
C238 C237 C247 C254 -0.2(4) . . . . no
C237 C238 C248 C249 -142.7(3) . . . . no
C228 C238 C248 C254 141.2(3) . . . . no
C237 C238 C248 C254 0.4(4) . . . . no
C228 C238 C248 C249 -2.0(5) . . . . no
C229 C239 C249 C255 -141.3(3) . . . . no
C240 C239 C249 C248 142.9(3) . . . . no
C240 C239 C249 C255 0.2(4) . . . . no
C229 C239 C240 C250 141.0(3) . . . . no
C249 C239 C240 C230 -141.6(3) . . . . no
C229 C239 C240 C230 0.2(5) . . . . no
C249 C239 C240 C250 -0.8(4) . . . . no
C229 C239 C249 C248 1.4(5) . . . . no
C230 C240 C250 C255 141.4(3) . . . . no
C230 C240 C250 C241 -2.1(5) . . . . no
C239 C240 C250 C255 1.2(4) . . . . no
C239 C240 C250 C241 -142.3(3) . . . . no
C231 C241 C250 C240 0.5(5) . . . . no
C231 C241 C251 C256 144.0(3) . . . . no
C250 C241 C251 C242 -142.7(3) . . . . no
C250 C241 C251 C256 1.2(5) . . . . no
C231 C241 C251 C242 0.1(4) . . . . no
C231 C241 C250 C255 -138.9(4) . . . . no
C251 C241 C250 C240 138.7(3) . . . . no
C251 C241 C250 C255 -0.6(5) . . . . no
C232 C242 C243 C252 137.9(4) . . . . no
C251 C242 C243 C233 -138.2(3) . . . . no
C251 C242 C243 C252 0.1(5) . . . . no
C232 C242 C243 C233 -0.4(5) . . . . no
C232 C242 C251 C241 -0.2(4) . . . . no
C232 C242 C251 C256 -143.9(3) . . . . no
C243 C242 C251 C241 142.7(3) . . . . no
C243 C242 C251 C256 -1.1(5) . . . . no
C233 C243 C252 C244 0.2(4) . . . . no
C233 C243 C252 C257 142.3(3) . . . . no
C242 C243 C252 C257 0.1(5) . . . . no
C242 C243 C252 C244 -142.0(4) . . . . no
C245 C244 C252 C243 142.3(3) . . . . no
C245 C244 C252 C257 -0.1(5) . . . . no
C252 C244 C245 C235 -138.5(3) . . . . no
C234 C244 C252 C257 -142.4(3) . . . . no
C234 C244 C252 C243 -0.1(4) . . . . no
C252 C244 C245 C253 -0.1(5) . . . . no
C234 C244 C245 C253 137.8(4) . . . . no
C234 C244 C245 C235 -0.7(5) . . . . no
C244 C245 C253 C246 -142.5(4) . . . . no
C244 C245 C253 C258 0.3(6) . . . . no
C235 C245 C253 C246 0.3(4) . . . . no
C235 C245 C253 C258 143.1(4) . . . . no
C253 C246 C247 C254 0.0(6) . . . . no
C253 C246 C247 C237 -138.9(4) . . . . no
C247 C246 C253 C258 0.1(6) . . . . no
C236 C246 C253 C245 -0.2(4) . . . . no
C236 C246 C247 C237 -0.6(5) . . . . no
C236 C246 C247 C254 138.3(4) . . . . no
C236 C246 C253 C258 -142.6(4) . . . . no
C247 C246 C253 C245 142.5(4) . . . . no
C237 C247 C254 C248 0.5(4) . . . . no
C237 C247 C254 C259 142.7(4) . . . . no
C246 C247 C254 C248 -142.4(4) . . . . no
C246 C247 C254 C259 -0.2(6) . . . . no
C254 C248 C249 C239 -138.4(4) . . . . no
C254 C248 C249 C255 -0.4(5) . . . . no
C238 C248 C254 C247 -0.6(4) . . . . no
C238 C248 C254 C259 -143.0(4) . . . . no
C238 C248 C249 C239 0.4(5) . . . . no
C238 C248 C249 C255 138.5(4) . . . . no
C249 C248 C254 C259 0.4(5) . . . . no
C249 C248 C254 C247 142.8(3) . . . . no
C248 C249 C255 C250 -141.8(3) . . . . no
C239 C249 C255 C260 142.6(3) . . . . no
C248 C249 C255 C260 0.3(5) . . . . no
C239 C249 C255 C250 0.6(4) . . . . no
C240 C250 C255 C260 -142.8(4) . . . . no
C241 C250 C255 C249 142.3(3) . . . . no
C241 C250 C255 C260 0.7(5) . . . . no
C240 C250 C255 C249 -1.1(4) . . . . no
C241 C251 C256 C257 -137.7(3) . . . . no
C242 C251 C256 C257 1.9(4) . . . . no
C242 C251 C256 C260 137.9(3) . . . . no
C241 C251 C256 C260 -1.8(5) . . . . no
C243 C252 C257 C256 0.7(5) . . . . no
C244 C252 C257 C258 0.0(5) . . . . no
C244 C252 C257 C256 138.4(3) . . . . no
C243 C252 C257 C258 -137.8(4) . . . . no
C246 C253 C258 C257 137.7(4) . . . . no
C246 C253 C258 C259 0.1(6) . . . . no
C245 C253 C258 C259 -138.0(4) . . . . no
C245 C253 C258 C257 -0.3(6) . . . . no
C247 C254 C259 C258 0.3(6) . . . . no
C247 C254 C259 C260 -137.9(4) . . . . no
C248 C254 C259 C258 138.0(4) . . . . no
C248 C254 C259 C260 -0.2(5) . . . . no
C249 C255 C260 C259 -0.1(5) . . . . no
C250 C255 C260 C259 137.2(4) . . . . no
C250 C255 C260 C256 -1.2(5) . . . . no
C249 C255 C260 C256 -138.6(3) . . . . no
C257 C256 C260 C259 -0.2(4) . . . . no
C251 C256 C257 C252 -1.7(4) . . . . no
C260 C256 C257 C252 -142.5(3) . . . . no
C257 C256 C260 C255 142.6(3) . . . . no
C251 C256 C260 C259 -141.0(3) . . . . no
C251 C256 C260 C255 1.8(5) . . . . no
C251 C256 C257 C258 141.2(3) . . . . no
C260 C256 C257 C258 0.4(4) . . . . no
C256 C257 C258 C253 -142.4(4) . . . . no
C252 C257 C258 C253 0.2(5) . . . . no
C252 C257 C258 C259 142.1(3) . . . . no
C256 C257 C258 C259 -0.4(4) . . . . no
C257 C258 C259 C254 -142.5(4) . . . . no
C253 C258 C259 C260 142.5(4) . . . . no
C253 C258 C259 C254 -0.2(6) . . . . no
C257 C258 C259 C260 0.3(4) . . . . no
C258 C259 C260 C255 -142.5(4) . . . . no
C258 C259 C260 C256 0.0(4) . . . . no
C254 C259 C260 C256 142.5(3) . . . . no
C254 C259 C260 C255 0.0(5) . . . . no
C262 C261 C266 C265 3.3(5) . . . . no
C26 C261 C262 C263 -179.2(3) . . . . no
C266 C261 C262 C263 -2.9(6) . . . . no
C26 C261 C266 C265 179.6(3) . . . . no
C261 C262 C263 C264 -1.2(6) . . . . no
C262 C263 C264 C267 -173.3(4) . . . . no
C262 C263 C264 C265 4.9(6) . . . . no
C263 C264 C265 C266 -4.4(6) . . . . no
C267 C264 C265 C266 173.8(4) . . . . no
C263 C264 C267 C268 167.8(4) . . . . no
C265 C264 C267 C268 -10.3(6) . . . . no
C264 C265 C266 C261 0.4(6) . . . . no
C264 C267 C268 C269 -165.3(3) . . . . no
C27 C270 C271 C272 -178.7(3) . . . . no
C27 C270 C275 C274 177.1(3) . . . . no
C271 C270 C275 C274 -2.0(6) . . . . no
C275 C270 C271 C272 0.5(6) . . . . no
C270 C271 C272 C273 1.1(6) . . . . no
C271 C272 C273 C274 -1.0(6) . . . . no
C271 C272 C273 C276 178.5(4) . . . . no
C272 C273 C276 C277 -47.0(6) . . . . no
C274 C273 C276 C277 132.5(5) . . . . no
C276 C273 C274 C275 180.0(4) . . . . no
C272 C273 C274 C275 -0.5(6) . . . . no
C273 C274 C275 C270 2.1(6) . . . . no
C273 C276 C277 C278 -55.6(6) . . . . no
C28 C279 C280 C281 -175.5(3) . . . . no
C284 C279 C280 C281 2.4(5) . . . . no
C280 C279 C284 C283 -2.4(5) . . . . no
C28 C279 C284 C283 175.5(3) . . . . no
C279 C280 C281 C282 0.4(5) . . . . no
C280 C281 C282 C283 -3.1(5) . . . . no
C280 C281 C282 C285 176.3(3) . . . . no
C281 C282 C283 C284 3.1(6) . . . . no
C285 C282 C283 C284 -176.3(3) . . . . no
C283 C282 C285 C286 -73.3(5) . . . . no
C281 C282 C285 C286 107.3(4) . . . . no
C282 C283 C284 C279 -0.3(6) . . . . no
C282 C285 C286 C287 -68.8(5) . . . . no
C293 C288 C289 C290 -1.2(5) . . . . no
C29 C288 C293 C292 -176.3(3) . . . . no
C289 C288 C293 C292 1.2(5) . . . . no
C29 C288 C289 C290 176.2(3) . . . . no
C288 C289 C290 C291 0.1(6) . . . . no
C289 C290 C291 C292 1.0(6) . . . . no
C289 C290 C291 C294 -177.3(3) . . . . no
C290 C291 C292 C293 -1.0(6) . . . . no
C294 C291 C292 C293 177.3(3) . . . . no
C292 C291 C294 C295 -86.3(5) . . . . no
C290 C291 C294 C295 92.0(5) . . . . no
C291 C292 C293 C288 -0.1(6) . . . . no
C291 C294 C295 C296 61.2(5) . . . . no
C210 C297 C298 C299 -176.2(3) . . . . no
C2102 C297 C298 C299 0.7(5) . . . . no
C297 C298 C299 C2100 -0.7(6) . . . . no
