#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:24:52 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180077 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/23/7052391.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_7052391
loop_
_publ_author_name
'Matthieu Demange'
'Leila Boubekeur'
'Audrey Auffrant'
'Nicolas Mézailles'
'Louis Ricard'
'Xavier Le Goff'
'Pascal Le Floch'
_publ_section_title
;
 A new and convenient approach towards bis(iminophosphoranyl)methane
 ligands and their dicationic, cationic, anionic and dianionic
 derivatives
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1745
_journal_paper_doi               10.1039/b610049j
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C74 H94 Li4 N4 O P4'
_chemical_formula_weight         1207.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.4060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.3440(10)
_cell_length_b                   16.7080(10)
_cell_length_c                   25.5700(10)
_cell_measurement_reflns_used    15396
_cell_measurement_temperature    150.0(1)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      0.998
_cell_volume                     7517.9(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.0(1)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0535
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            29363
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         2.72
_exptl_absorpt_coefficient_mu    0.142
_exptl_absorpt_correction_T_max  0.9749
_exptl_absorpt_correction_T_min  0.9694
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.067
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2584
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.238
_refine_diff_density_min         -0.242
_refine_diff_density_rms         0.040
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.04(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1553
_refine_ls_number_reflns         29363
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0393
_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)+(0.0598P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1020
_reflns_number_gt                24710
_reflns_number_total             29363
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b610049j.txt
_cod_data_source_block           linpcarb
_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_sg_symbol_H-M      'P21 '
_cod_database_code               7052391
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
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
P1 P 0.89566(3) 0.35855(3) 0.499108(19) 0.02498(11) Uani 1 1 d . . .
P2 P 0.79403(3) 0.45534(3) 0.55463(2) 0.02705(11) Uani 1 1 d . . .
P3 P 0.70377(3) 0.15914(3) 0.54241(2) 0.02726(11) Uani 1 1 d . . .
P4 P 0.62258(3) 0.24106(3) 0.433386(19) 0.02521(11) Uani 1 1 d . . .
N1 N 0.87612(9) 0.27022(10) 0.47120(6) 0.0258(4) Uani 1 1 d . . .
N2 N 0.71116(9) 0.42682(10) 0.55948(6) 0.0276(4) Uani 1 1 d . . .
N3 N 0.77954(10) 0.19229(11) 0.58723(6) 0.0301(4) Uani 1 1 d . . .
N4 N 0.65027(9) 0.32216(10) 0.40898(6) 0.0263(4) Uani 1 1 d . . .
C1 C 0.81959(11) 0.37741(12) 0.52182(8) 0.0273(4) Uani 1 1 d . . .
C2 C 0.93057(11) 0.22990(13) 0.44738(8) 0.0284(4) Uani 1 1 d . . .
H2 H 0.9820 0.2530 0.4649 0.034 Uiso 1 1 calc R . .
C3 C 0.93353(13) 0.14117(14) 0.46209(9) 0.0386(5) Uani 1 1 d . . .
H3A H 0.9566 0.1348 0.5014 0.058 Uiso 1 1 calc R . .
H3B H 0.9640 0.1125 0.4422 0.058 Uiso 1 1 calc R . .
H3C H 0.8819 0.1193 0.4521 0.058 Uiso 1 1 calc R . .
C4 C 0.91315(12) 0.24308(15) 0.38488(8) 0.0350(5) Uani 1 1 d . . .
H4 H 0.9033 0.3015 0.3778 0.042 Uiso 1 1 calc R . .
C5 C 0.98167(15) 0.2212(2) 0.36486(10) 0.0596(8) Uani 1 1 d . . .
H5A H 0.9906 0.1634 0.3686 0.089 Uiso 1 1 calc R . .
H5B H 1.0267 0.2497 0.3867 0.089 Uiso 1 1 calc R . .
H5C H 0.9716 0.2365 0.3265 0.089 Uiso 1 1 calc R . .
C6 C 0.84307(13) 0.19841(16) 0.35187(9) 0.0445(6) Uani 1 1 d . . .
H6A H 0.8531 0.1407 0.3544 0.067 Uiso 1 1 calc R . .
H6B H 0.8308 0.2152 0.3136 0.067 Uiso 1 1 calc R . .
H6C H 0.8001 0.2105 0.3663 0.067 Uiso 1 1 calc R . .
C7 C 0.98744(10) 0.35668(14) 0.55145(8) 0.0295(4) Uani 1 1 d . . .
C8 C 1.02667(12) 0.42671(15) 0.57041(9) 0.0389(5) Uani 1 1 d . . .
H8 H 1.0084 0.4763 0.5537 0.047 Uiso 1 1 calc R . .
C9 C 1.09258(14) 0.42476(19) 0.61378(10) 0.0535(7) Uani 1 1 d . . .
H9 H 1.1192 0.4730 0.6264 0.064 Uiso 1 1 calc R . .
C10 C 1.11937(15) 0.3531(2) 0.63858(11) 0.0627(8) Uani 1 1 d . . .
H10 H 1.1640 0.3518 0.6685 0.075 Uiso 1 1 calc R . .
C11 C 1.08143(16) 0.28432(19) 0.61982(11) 0.0625(8) Uani 1 1 d . . .
H11 H 1.1003 0.2349 0.6366 0.075 Uiso 1 1 calc R . .
C12 C 1.01556(13) 0.28512(16) 0.57656(9) 0.0428(6) Uani 1 1 d . . .
H12 H 0.9897 0.2364 0.5641 0.051 Uiso 1 1 calc R . .
C13 C 0.91471(11) 0.42949(13) 0.45020(8) 0.0290(4) Uani 1 1 d . . .
C14 C 0.98450(12) 0.43231(14) 0.43809(9) 0.0354(5) Uani 1 1 d . . .
H14 H 1.0253 0.3997 0.4581 0.042 Uiso 1 1 calc R . .
C15 C 0.99492(14) 0.48162(16) 0.39770(10) 0.0449(6) Uani 1 1 d . . .
H15 H 1.0427 0.4828 0.3902 0.054 Uiso 1 1 calc R . .
C16 C 0.93647(14) 0.52940(16) 0.36806(10) 0.0476(6) Uani 1 1 d . . .
H16 H 0.9439 0.5635 0.3403 0.057 Uiso 1 1 calc R . .
C17 C 0.86677(14) 0.52720(16) 0.37913(9) 0.0449(6) Uani 1 1 d . . .
H17 H 0.8261 0.5596 0.3587 0.054 Uiso 1 1 calc R . .
C18 C 0.85636(12) 0.47794(14) 0.41990(8) 0.0344(5) Uani 1 1 d . . .
H18 H 0.8085 0.4772 0.4273 0.041 Uiso 1 1 calc R . .
C19 C 0.78599(12) 0.55092(13) 0.51825(8) 0.0315(5) Uani 1 1 d . . .
C20 C 0.84856(13) 0.60069(14) 0.52233(10) 0.0402(5) Uani 1 1 d . . .
H20 H 0.8952 0.5892 0.5489 0.048 Uiso 1 1 calc R . .
C21 C 0.84408(15) 0.66582(16) 0.48883(11) 0.0490(6) Uani 1 1 d . . .
H21 H 0.8874 0.6989 0.4924 0.059 Uiso 1 1 calc R . .
C22 C 0.77672(16) 0.68341(16) 0.44988(11) 0.0528(7) Uani 1 1 d . . .
H22 H 0.7736 0.7280 0.4263 0.063 Uiso 1 1 calc R . .
C23 C 0.71345(14) 0.63516(16) 0.44551(11) 0.0491(6) Uani 1 1 d . . .
H23 H 0.6668 0.6472 0.4191 0.059 Uiso 1 1 calc R . .
C24 C 0.71836(13) 0.57014(14) 0.47925(9) 0.0382(5) Uani 1 1 d . . .
H24 H 0.6748 0.5377 0.4759 0.046 Uiso 1 1 calc R . .
C25 C 0.85940(12) 0.48029(14) 0.62160(8) 0.0352(5) Uani 1 1 d . . .
C26 C 0.85764(14) 0.55455(17) 0.64647(10) 0.0476(6) Uani 1 1 d . . .
H26 H 0.8231 0.5947 0.6282 0.057 Uiso 1 1 calc R . .
C27 C 0.90689(18) 0.5696(2) 0.69843(11) 0.0664(9) Uani 1 1 d . . .
H27 H 0.9062 0.6203 0.7151 0.080 Uiso 1 1 calc R . .
C28 C 0.95666(18) 0.5105(2) 0.72551(11) 0.0667(9) Uani 1 1 d . . .
H28 H 0.9899 0.5205 0.7608 0.080 Uiso 1 1 calc R . .
C29 C 0.95759(16) 0.4381(2) 0.70132(10) 0.0608(8) Uani 1 1 d . . .
H29 H 0.9911 0.3975 0.7200 0.073 Uiso 1 1 calc R . .
C30 C 0.90982(14) 0.42317(17) 0.64932(9) 0.0470(6) Uani 1 1 d . . .
H30 H 0.9120 0.3727 0.6327 0.056 Uiso 1 1 calc R . .
C31 C 0.66275(11) 0.47960(14) 0.58198(8) 0.0313(5) Uani 1 1 d . . .
H31 H 0.6788 0.5361 0.5784 0.038 Uiso 1 1 calc R . .
C32 C 0.58095(12) 0.47086(15) 0.54693(9) 0.0373(5) Uani 1 1 d . . .
H32A H 0.5778 0.4843 0.5090 0.056 Uiso 1 1 calc R . .
H32B H 0.5483 0.5071 0.5603 0.056 Uiso 1 1 calc R . .
H32C H 0.5641 0.4155 0.5488 0.056 Uiso 1 1 calc R . .
C33 C 0.67135(13) 0.46389(15) 0.64280(8) 0.0392(5) Uani 1 1 d . . .
H33 H 0.7270 0.4624 0.6618 0.047 Uiso 1 1 calc R . .
C34 C 0.63835(17) 0.38404(19) 0.65346(11) 0.0590(7) Uani 1 1 d . . .
H34A H 0.6502 0.3751 0.6929 0.088 Uiso 1 1 calc R . .
H34B H 0.6605 0.3409 0.6369 0.088 Uiso 1 1 calc R . .
H34C H 0.5831 0.3847 0.6375 0.088 Uiso 1 1 calc R . .
C35 C 0.63756(17) 0.5329(2) 0.66777(10) 0.0654(9) Uani 1 1 d . . .
H35A H 0.5822 0.5333 0.6524 0.098 Uiso 1 1 calc R . .
H35B H 0.6585 0.5838 0.6595 0.098 Uiso 1 1 calc R . .
H35C H 0.6503 0.5258 0.7074 0.098 Uiso 1 1 calc R . .
C36 C 0.68820(11) 0.23096(12) 0.49427(7) 0.0265(4) Uani 1 1 d . . .
C37 C 0.81379(13) 0.14871(15) 0.63855(8) 0.0385(5) Uani 1 1 d . . .
H37 H 0.7980 0.0914 0.6327 0.046 Uiso 1 1 calc R . .
C38 C 0.90002(14) 0.15212(18) 0.65015(10) 0.0519(6) Uani 1 1 d . . .
H38A H 0.9150 0.1247 0.6209 0.078 Uiso 1 1 calc R . .
H38B H 0.9239 0.1257 0.6850 0.078 Uiso 1 1 calc R . .
H38C H 0.9165 0.2081 0.6520 0.078 Uiso 1 1 calc R . .
C39 C 0.78704(16) 0.18047(17) 0.68638(9) 0.0525(7) Uani 1 1 d . . .
H39 H 0.7303 0.1825 0.6738 0.063 Uiso 1 1 calc R . .
C40 C 0.81443(17) 0.26462(19) 0.70340(10) 0.0619(8) Uani 1 1 d . . .
H40A H 0.7845 0.2873 0.7260 0.093 Uiso 1 1 calc R . .
H40B H 0.8084 0.2979 0.6709 0.093 Uiso 1 1 calc R . .
H40C H 0.8682 0.2631 0.7243 0.093 Uiso 1 1 calc R . .
C41 C 0.8087(3) 0.1240(2) 0.73491(12) 0.0940(13) Uani 1 1 d . . .
H41A H 0.8631 0.1119 0.7438 0.141 Uiso 1 1 calc R . .
H41B H 0.7795 0.0743 0.7259 0.141 Uiso 1 1 calc R . .
H41C H 0.7976 0.1494 0.7663 0.141 Uiso 1 1 calc R . .
C42 C 0.62854(12) 0.13929(14) 0.57530(8) 0.0337(5) Uani 1 1 d . . .
C43 C 0.57625(13) 0.19872(16) 0.57628(9) 0.0422(6) Uani 1 1 d . . .
H43 H 0.5771 0.2474 0.5573 0.051 Uiso 1 1 calc R . .
C44 C 0.52291(15) 0.1881(2) 0.60455(11) 0.0573(7) Uani 1 1 d . . .
H44 H 0.4871 0.2290 0.6048 0.069 Uiso 1 1 calc R . .
C45 C 0.52215(17) 0.1171(2) 0.63249(11) 0.0655(9) Uani 1 1 d . . .
H45 H 0.4857 0.1094 0.6520 0.079 Uiso 1 1 calc R . .
C46 C 0.57290(16) 0.05874(19) 0.63208(11) 0.0567(7) Uani 1 1 d . . .
H46 H 0.5721 0.0104 0.6515 0.068 Uiso 1 1 calc R . .
C47 C 0.62643(14) 0.06879(16) 0.60340(9) 0.0450(6) Uani 1 1 d . . .
H47 H 0.6616 0.0272 0.6031 0.054 Uiso 1 1 calc R . .
C48 C 0.61374(11) 0.15930(13) 0.38418(7) 0.0272(4) Uani 1 1 d . . .
C49 C 0.67765(12) 0.11518(13) 0.38457(8) 0.0317(5) Uani 1 1 d . . .
H49 H 0.7231 0.1227 0.4132 0.038 Uiso 1 1 calc R . .
C50 C 0.67611(13) 0.05994(15) 0.34354(9) 0.0401(5) Uani 1 1 d . . .
H50 H 0.7204 0.0302 0.3441 0.048 Uiso 1 1 calc R . .
C51 C 0.61019(14) 0.04852(16) 0.30216(10) 0.0478(6) Uani 1 1 d . . .
H51 H 0.6092 0.0110 0.2740 0.057 Uiso 1 1 calc R . .
C52 C 0.54545(13) 0.09154(16) 0.30140(9) 0.0415(6) Uani 1 1 d . . .
H52 H 0.4999 0.0830 0.2730 0.050 Uiso 1 1 calc R . .
C53 C 0.54693(12) 0.14713(14) 0.34201(8) 0.0351(5) Uani 1 1 d . . .
H53 H 0.5025 0.1770 0.3412 0.042 Uiso 1 1 calc R . .
C54 C 0.52536(11) 0.25139(14) 0.43840(8) 0.0312(5) Uani 1 1 d . . .
C55 C 0.48488(12) 0.18578(15) 0.44811(9) 0.0382(5) Uani 1 1 d . . .
H55 H 0.5040 0.1334 0.4460 0.046 Uiso 1 1 calc R . .
C56 C 0.41659(13) 0.19549(17) 0.46091(10) 0.0464(6) Uani 1 1 d . . .
H56 H 0.3895 0.1499 0.4675 0.056 Uiso 1 1 calc R . .
C57 C 0.38822(13) 0.27129(17) 0.46405(11) 0.0497(7) Uani 1 1 d . . .
H57 H 0.3424 0.2781 0.4738 0.060 Uiso 1 1 calc R . .
C58 C 0.42666(13) 0.33712(17) 0.45292(10) 0.0473(6) Uani 1 1 d . . .
H58 H 0.4063 0.3892 0.4539 0.057 Uiso 1 1 calc R . .
C59 C 0.49503(12) 0.32746(14) 0.44032(9) 0.0357(5) Uani 1 1 d . . .
H59 H 0.5214 0.3731 0.4330 0.043 Uiso 1 1 calc R . .
C60 C 0.71819(12) 0.06010(13) 0.51712(8) 0.0315(5) Uani 1 1 d . . .
C61 C 0.79110(13) 0.03525(14) 0.51761(9) 0.0374(5) Uani 1 1 d . . .
H61 H 0.8339 0.0662 0.5364 0.045 Uiso 1 1 calc R . .
C62 C 0.80151(16) -0.03429(16) 0.49090(10) 0.0502(6) Uani 1 1 d . . .
H62 H 0.8514 -0.0502 0.4912 0.060 Uiso 1 1 calc R . .
C63 C 0.73984(17) -0.08076(16) 0.46384(11) 0.0542(7) Uani 1 1 d . . .
H63 H 0.7472 -0.1280 0.4453 0.065 Uiso 1 1 calc R . .
C64 C 0.66769(15) -0.05777(16) 0.46403(10) 0.0476(6) Uani 1 1 d . . .
H64 H 0.6252 -0.0898 0.4461 0.057 Uiso 1 1 calc R . .
C65 C 0.65696(13) 0.01167(14) 0.49025(9) 0.0369(5) Uani 1 1 d . . .
H65 H 0.6069 0.0268 0.4900 0.044 Uiso 1 1 calc R . .
C66 C 0.60807(11) 0.35125(13) 0.35426(8) 0.0302(4) Uani 1 1 d . . .
H66 H 0.5555 0.3286 0.3454 0.036 Uiso 1 1 calc R . .
C67 C 0.60146(14) 0.44192(15) 0.35616(9) 0.0423(6) Uani 1 1 d . . .
H67A H 0.5695 0.4565 0.3796 0.063 Uiso 1 1 calc R . .
H67B H 0.5785 0.4624 0.3193 0.063 Uiso 1 1 calc R . .
H67C H 0.6521 0.4653 0.3708 0.063 Uiso 1 1 calc R . .
C68 C 0.64411(12) 0.32282(15) 0.30968(8) 0.0355(5) Uani 1 1 d . . .
H68 H 0.6572 0.2649 0.3167 0.043 Uiso 1 1 calc R . .
C69 C 0.71787(14) 0.36695(17) 0.31141(10) 0.0493(6) Uani 1 1 d . . .
H69A H 0.7061 0.4218 0.2982 0.074 Uiso 1 1 calc R . .
H69B H 0.7440 0.3391 0.2881 0.074 Uiso 1 1 calc R . .
H69C H 0.7508 0.3681 0.3490 0.074 Uiso 1 1 calc R . .
C70 C 0.58794(15) 0.3287(2) 0.25334(9) 0.0582(8) Uani 1 1 d . . .
H70A H 0.5732 0.3847 0.2453 0.087 Uiso 1 1 calc R . .
H70B H 0.5427 0.2967 0.2523 0.087 Uiso 1 1 calc R . .
H70C H 0.6116 0.3083 0.2261 0.087 Uiso 1 1 calc R . .
Li1 Li 0.76277(19) 0.2956(2) 0.44072(15) 0.0372(8) Uani 1 1 d . . .
Li2 Li 0.8228(2) 0.2377(2) 0.52838(14) 0.0336(8) Uani 1 1 d . . .
Li3 Li 0.7438(2) 0.3087(2) 0.57139(14) 0.0374(8) Uani 1 1 d . . .
Li4 Li 0.68611(19) 0.3713(2) 0.48532(13) 0.0319(8) Uani 1 1 d . . .
P5 P 0.75806(3) 0.55528(3) -0.044659(19) 0.02634(11) Uani 1 1 d . . .
P6 P 0.90095(3) 0.65691(3) 0.00816(2) 0.02727(11) Uani 1 1 d . . .
P7 P 0.66714(3) 0.84713(3) -0.02963(2) 0.02669(11) Uani 1 1 d . . .
P8 P 0.68208(3) 0.76354(3) 0.08094(2) 0.02801(11) Uani 1 1 d . . .
N5 N 0.67111(9) 0.58016(10) -0.04808(6) 0.0279(4) Uani 1 1 d . . .
N6 N 0.90117(9) 0.74500(11) 0.03610(6) 0.0299(4) Uani 1 1 d . . .
N7 N 0.70616(9) 0.81703(11) -0.07579(6) 0.0288(4) Uani 1 1 d . . .
N8 N 0.73138(9) 0.68307(10) 0.10264(6) 0.0288(4) Uani 1 1 d . . .
C71 C 0.80806(11) 0.63392(12) -0.01185(8) 0.0280(4) Uani 1 1 d . . .
C72 C 0.60756(11) 0.52600(13) -0.07441(7) 0.0287(4) Uani 1 1 d . . .
H72 H 0.6290 0.4708 -0.0736 0.034 Uiso 1 1 calc R . .
C73 C 0.55115(12) 0.52447(16) -0.04075(9) 0.0400(5) Uani 1 1 d . . .
H73A H 0.5752 0.5003 -0.0051 0.060 Uiso 1 1 calc R . .
H73B H 0.5066 0.4929 -0.0598 0.060 Uiso 1 1 calc R . .
H73C H 0.5354 0.5793 -0.0356 0.060 Uiso 1 1 calc R . .
C74 C 0.56964(12) 0.54745(13) -0.13447(8) 0.0345(5) Uani 1 1 d . . .
H74 H 0.6112 0.5572 -0.1519 0.041 Uiso 1 1 calc R . .
C75 C 0.52217(14) 0.62373(16) -0.14120(10) 0.0483(6) Uani 1 1 d . . .
H75A H 0.4770 0.6141 -0.1288 0.072 Uiso 1 1 calc R . .
H75B H 0.5065 0.6394 -0.1797 0.072 Uiso 1 1 calc R . .
H75C H 0.5525 0.6667 -0.1194 0.072 Uiso 1 1 calc R . .
C76 C 0.52229(16) 0.47765(17) -0.16461(9) 0.0538(7) Uani 1 1 d . . .
H76A H 0.5538 0.4294 -0.1597 0.081 Uiso 1 1 calc R . .
H76B H 0.5035 0.4904 -0.2035 0.081 Uiso 1 1 calc R . .
H76C H 0.4791 0.4684 -0.1499 0.081 Uiso 1 1 calc R . .
C77 C 0.78298(11) 0.45882(13) -0.01005(8) 0.0294(4) Uani 1 1 d . . .
C78 C 0.84694(12) 0.41669(14) -0.01431(9) 0.0374(5) Uani 1 1 d . . .
H78 H 0.8745 0.4354 -0.0383 0.045 Uiso 1 1 calc R . .
C79 C 0.87058(14) 0.34805(15) 0.01595(9) 0.0437(6) Uani 1 1 d . . .
H79 H 0.9138 0.3198 0.0123 0.052 Uiso 1 1 calc R . .
C80 C 0.83209(14) 0.32039(15) 0.05116(10) 0.0464(6) Uani 1 1 d . . .
H80 H 0.8487 0.2734 0.0720 0.056 Uiso 1 1 calc R . .
C81 C 0.76862(14) 0.36161(16) 0.05617(10) 0.0456(6) Uani 1 1 d . . .
H81 H 0.7417 0.3431 0.0806 0.055 Uiso 1 1 calc R . .
C82 C 0.74479(13) 0.42986(14) 0.02537(9) 0.0378(5) Uani 1 1 d . . .
H82 H 0.7010 0.4575 0.0287 0.045 Uiso 1 1 calc R . .
C83 C 0.76946(11) 0.53279(14) -0.11213(8) 0.0342(5) Uani 1 1 d . . .
C84 C 0.79515(13) 0.59205(19) -0.14047(9) 0.0478(6) Uani 1 1 d . . .
H84 H 0.8067 0.6437 -0.1249 0.057 Uiso 1 1 calc R . .
C85 C 0.80396(15) 0.5760(2) -0.19155(10) 0.0676(10) Uani 1 1 d . . .
H85 H 0.8211 0.6168 -0.2112 0.081 Uiso 1 1 calc R . .
C86 C 0.78780(16) 0.5007(3) -0.21374(11) 0.0731(11) Uani 1 1 d . . .
H86 H 0.7959 0.4894 -0.2481 0.088 Uiso 1 1 calc R . .
C87 C 0.76019(15) 0.4412(2) -0.18708(10) 0.0611(8) Uani 1 1 d . . .
H87 H 0.7474 0.3901 -0.2034 0.073 Uiso 1 1 calc R . .
C88 C 0.75151(14) 0.45732(17) -0.13659(9) 0.0462(6) Uani 1 1 d . . .
H88 H 0.7330 0.4166 -0.1178 0.055 Uiso 1 1 calc R . .
C89 C 0.94741(11) 0.66151(14) -0.04639(8) 0.0314(4) Uani 1 1 d . . .
C90 C 0.94784(12) 0.73253(14) -0.07487(8) 0.0358(5) Uani 1 1 d . . .
H90 H 0.9288 0.7802 -0.0632 0.043 Uiso 1 1 calc R . .
C91 C 0.97571(14) 0.73479(17) -0.12020(9) 0.0468(6) Uani 1 1 d . . .
H91 H 0.9758 0.7837 -0.1392 0.056 Uiso 1 1 calc R . .
C92 C 1.00295(14) 0.66637(19) -0.13736(10) 0.0524(7) Uani 1 1 d . . .
H92 H 1.0208 0.6678 -0.1688 0.063 Uiso 1 1 calc R . .
C93 C 1.00468(14) 0.59612(17) -0.10972(10) 0.0481(6) Uani 1 1 d . . .
H93 H 1.0248 0.5492 -0.1214 0.058 Uiso 1 1 calc R . .
C94 C 0.97709(12) 0.59338(16) -0.06454(9) 0.0399(5) Uani 1 1 d . . .
H94 H 0.9784 0.5443 -0.0456 0.048 Uiso 1 1 calc R . .
C95 C 0.96362(12) 0.58838(14) 0.05613(8) 0.0331(5) Uani 1 1 d . . .
C96 C 0.93356(13) 0.53742(14) 0.08751(9) 0.0381(5) Uani 1 1 d . . .
H96 H 0.8800 0.5350 0.0812 0.046 Uiso 1 1 calc R . .
C97 C 0.97991(15) 0.48980(17) 0.12790(10) 0.0514(7) Uani 1 1 d . . .
H97 H 0.9581 0.4559 0.1493 0.062 Uiso 1 1 calc R . .
C98 C 1.05797(15) 0.49188(19) 0.13696(11) 0.0571(7) Uani 1 1 d . . .
H98 H 1.0899 0.4592 0.1644 0.069 Uiso 1 1 calc R . .
C99 C 1.08926(15) 0.54171(18) 0.10581(10) 0.0543(7) Uani 1 1 d . . .
H99 H 1.1428 0.5433 0.1120 0.065 Uiso 1 1 calc R . .
C100 C 1.04292(12) 0.58924(16) 0.06567(9) 0.0412(5) Uani 1 1 d . . .
H100 H 1.0650 0.6228 0.0443 0.049 Uiso 1 1 calc R . .
C101 C 0.97253(11) 0.78812(14) 0.05868(8) 0.0329(5) Uani 1 1 d . . .
H101 H 1.0100 0.7673 0.0403 0.039 Uiso 1 1 calc R . .
C102 C 0.96026(14) 0.87626(14) 0.04457(10) 0.0424(6) Uani 1 1 d . . .
H10A H 0.9481 0.8831 0.0050 0.064 Uiso 1 1 calc R . .
H10B H 1.0066 0.9061 0.0623 0.064 Uiso 1 1 calc R . .
H10C H 0.9181 0.8965 0.0573 0.064 Uiso 1 1 calc R . .
C103 C 1.00648(13) 0.77439(16) 0.12090(9) 0.0456(6) Uani 1 1 d . . .
H103 H 1.0045 0.7156 0.1277 0.055 Uiso 1 1 calc R . .
C104 C 0.96176(18) 0.81638(19) 0.15531(11) 0.0629(8) Uani 1 1 d . . .
H10D H 0.9828 0.8012 0.1936 0.094 Uiso 1 1 calc R . .
H10E H 0.9083 0.8003 0.1426 0.094 Uiso 1 1 calc R . .
H10F H 0.9657 0.8745 0.1516 0.094 Uiso 1 1 calc R . .
C105 C 1.09030(17) 0.7998(2) 0.13961(12) 0.0821(11) Uani 1 1 d . . .
H10G H 1.1173 0.7766 0.1152 0.123 Uiso 1 1 calc R . .
H10H H 1.1134 0.7807 0.1769 0.123 Uiso 1 1 calc R . .
H10I H 1.0937 0.8583 0.1387 0.123 Uiso 1 1 calc R . .
C106 C 0.69587(11) 0.77726(13) 0.01915(8) 0.0287(4) Uani 1 1 d . . .
C107 C 0.69838(11) 0.86351(15) -0.12660(8) 0.0333(5) Uani 1 1 d . . .
H107 H 0.6863 0.9201 -0.1194 0.040 Uiso 1 1 calc R . .
C108 C 0.77519(12) 0.86328(17) -0.13894(9) 0.0425(6) Uani 1 1 d . . .
H10J H 0.8129 0.8910 -0.1097 0.064 Uiso 1 1 calc R . .
H10K H 0.7704 0.8908 -0.1736 0.064 Uiso 1 1 calc R . .
H10L H 0.7916 0.8079 -0.1415 0.064 Uiso 1 1 calc R . .
C109 C 0.63388(12) 0.83258(16) -0.17533(8) 0.0412(6) Uani 1 1 d . . .
H109 H 0.5874 0.8273 -0.1625 0.049 Uiso 1 1 calc R . .
C110 C 0.61582(17) 0.8945(2) -0.22179(10) 0.0683(9) Uani 1 1 d . . .
H11A H 0.6608 0.9027 -0.2346 0.102 Uiso 1 1 calc R . .
H11B H 0.6013 0.9453 -0.2084 0.102 Uiso 1 1 calc R . .
H11C H 0.5738 0.8750 -0.2520 0.102 Uiso 1 1 calc R . .
C111 C 0.64965(15) 0.75092(19) -0.19563(10) 0.0556(7) Uani 1 1 d . . .
H11D H 0.6039 0.7312 -0.2225 0.083 Uiso 1 1 calc R . .
H11E H 0.6641 0.7135 -0.1649 0.083 Uiso 1 1 calc R . .
H11F H 0.6912 0.7552 -0.2126 0.083 Uiso 1 1 calc R . .
C112 C 0.56452(11) 0.86092(13) -0.05944(8) 0.0298(4) Uani 1 1 d . . .
C113 C 0.51444(12) 0.80053(15) -0.05537(9) 0.0360(5) Uani 1 1 d . . .
H113 H 0.5332 0.7538 -0.0347 0.043 Uiso 1 1 calc R . .
C114 C 0.43749(13) 0.80761(17) -0.08101(9) 0.0439(6) Uani 1 1 d . . .
H114 H 0.4038 0.7662 -0.0774 0.053 Uiso 1 1 calc R . .
C115 C 0.40955(13) 0.87430(18) -0.11165(9) 0.0470(6) Uani 1 1 d . . .
H115 H 0.3568 0.8785 -0.1297 0.056 Uiso 1 1 calc R . .
C116 C 0.45857(13) 0.93522(16) -0.11603(9) 0.0429(6) Uani 1 1 d . . .
H116 H 0.4394 0.9816 -0.1369 0.052 Uiso 1 1 calc R . .
C117 C 0.53518(12) 0.92886(14) -0.09018(8) 0.0349(5) Uani 1 1 d . . .
H117 H 0.5684 0.9711 -0.0933 0.042 Uiso 1 1 calc R . .
C118 C 0.69687(12) 0.94896(13) -0.00674(8) 0.0309(4) Uani 1 1 d . . .
C119 C 0.65564(14) 0.99444(15) 0.02023(9) 0.0408(5) Uani 1 1 d . . .
H119 H 0.6083 0.9750 0.0231 0.049 Uiso 1 1 calc R . .
C120 C 0.68258(16) 1.06841(16) 0.04329(10) 0.0521(7) Uani 1 1 d . . .
H120 H 0.6532 1.0992 0.0612 0.062 Uiso 1 1 calc R . .
C121 C 0.75166(18) 1.09659(18) 0.04007(11) 0.0604(8) Uani 1 1 d . . .
H121 H 0.7706 1.1464 0.0562 0.073 Uiso 1 1 calc R . .
C122 C 0.79370(16) 1.05161(17) 0.01301(10) 0.0541(7) Uani 1 1 d . . .
H122 H 0.8411 1.0711 0.0102 0.065 Uiso 1 1 calc R . .
C123 C 0.76643(13) 0.97832(15) -0.00985(9) 0.0409(5) Uani 1 1 d . . .
H123 H 0.7957 0.9478 -0.0279 0.049 Uiso 1 1 calc R . .
C124 C 0.58299(12) 0.74858(13) 0.07906(8) 0.0327(5) Uani 1 1 d . . .
C125 C 0.55169(13) 0.67150(14) 0.07104(8) 0.0379(5) Uani 1 1 d . . .
H125 H 0.5847 0.6268 0.0740 0.045 Uiso 1 1 calc R . .
C126 C 0.47442(14) 0.65846(17) 0.05893(10) 0.0465(6) Uani 1 1 d . . .
H126 H 0.4546 0.6057 0.0530 0.056 Uiso 1 1 calc R . .
C127 C 0.42572(15) 0.72365(17) 0.05551(11) 0.0519(7) Uani 1 1 d . . .
H127 H 0.3724 0.7156 0.0466 0.062 Uiso 1 1 calc R . .
C128 C 0.45533(14) 0.79927(17) 0.06502(11) 0.0497(6) Uani 1 1 d . . .
H128 H 0.4223 0.8434 0.0640 0.060 Uiso 1 1 calc R . .
C129 C 0.53296(13) 0.81246(15) 0.07608(9) 0.0403(5) Uani 1 1 d . . .
H129 H 0.5522 0.8655 0.0817 0.048 Uiso 1 1 calc R . .
C130 C 0.71172(13) 0.84455(13) 0.13088(8) 0.0351(5) Uani 1 1 d . . .
C131 C 0.68518(14) 0.85000(16) 0.17685(9) 0.0434(6) Uani 1 1 d . . .
H131 H 0.6454 0.8159 0.1803 0.052 Uiso 1 1 calc R . .
C132 C 0.71718(17) 0.90581(17) 0.21802(10) 0.0555(7) Uani 1 1 d . . .
H132 H 0.6984 0.9096 0.2490 0.067 Uiso 1 1 calc R . .
C133 C 0.77474(19) 0.95450(18) 0.21396(10) 0.0616(8) Uani 1 1 d . . .
H133 H 0.7968 0.9913 0.2424 0.074 Uiso 1 1 calc R . .
C134 C 0.80164(17) 0.95045(17) 0.16777(11) 0.0579(7) Uani 1 1 d . . .
H134 H 0.8414 0.9848 0.1645 0.069 Uiso 1 1 calc R . .
C135 C 0.76969(14) 0.89593(15) 0.12704(9) 0.0417(5) Uani 1 1 d . . .
H135 H 0.7877 0.8935 0.0957 0.050 Uiso 1 1 calc R . .
C136 C 0.73235(14) 0.64765(15) 0.15586(8) 0.0388(5) Uani 1 1 d . . .
H136 H 0.6851 0.6654 0.1647 0.047 Uiso 1 1 calc R . .
C137 C 0.72885(15) 0.55680(15) 0.14982(9) 0.0437(6) Uani 1 1 d . . .
H13A H 0.6811 0.5415 0.1231 0.066 Uiso 1 1 calc R . .
H13B H 0.7313 0.5323 0.1851 0.066 Uiso 1 1 calc R . .
H13C H 0.7718 0.5382 0.1374 0.066 Uiso 1 1 calc R . .
C138 C 0.80055(18) 0.67502(17) 0.20254(9) 0.0620(8) Uani 1 1 d . . .
H138 H 0.8047 0.7344 0.1994 0.074 Uiso 1 1 calc R . .
C139 C 0.7833(2) 0.6575(3) 0.25791(10) 0.0972(13) Uani 1 1 d . . .
H13D H 0.7357 0.6838 0.2583 0.146 Uiso 1 1 calc R . .
H13E H 0.8249 0.6780 0.2880 0.146 Uiso 1 1 calc R . .
H13F H 0.7785 0.5996 0.2622 0.146 Uiso 1 1 calc R . .
C140 C 0.87527(18) 0.63918(19) 0.19991(14) 0.0790(11) Uani 1 1 d . . .
H14A H 0.8746 0.5812 0.2057 0.119 Uiso 1 1 calc R . .
H14B H 0.9170 0.6632 0.2283 0.119 Uiso 1 1 calc R . .
H14C H 0.8825 0.6499 0.1640 0.119 Uiso 1 1 calc R . .
Li5 Li 0.7997(2) 0.7745(2) -0.01840(14) 0.0373(8) Uani 1 1 d . . .
Li6 Li 0.8152(2) 0.7136(2) 0.06864(14) 0.0381(9) Uani 1 1 d . . .
Li7 Li 0.7042(2) 0.6365(2) 0.02563(14) 0.0359(8) Uani 1 1 d . . .
Li8 Li 0.6881(2) 0.6986(2) -0.06173(15) 0.0358(8) Uani 1 1 d . . .
O1 O 0.79383(14) 0.27262(14) 0.20723(8) 0.0735(6) Uani 1 1 d . A .
C141 C 0.8787(5) 0.3855(4) 0.2391(5) 0.090(2) Uani 0.807(19) 1 d P A 1
H14D H 0.8392 0.4226 0.2191 0.135 Uiso 0.807(19) 1 calc PR A 1
H14E H 0.9288 0.4067 0.2400 0.135 Uiso 0.807(19) 1 calc PR A 1
H14F H 0.8753 0.3795 0.2765 0.135 Uiso 0.807(19) 1 calc PR A 1
C14B C 0.8535(19) 0.3781(19) 0.2084(18) 0.090(2) Uani 0.193(19) 1 d P A 2
H14G H 0.8244 0.3924 0.1711 0.135 Uiso 0.193(19) 1 calc PR A 2
H14H H 0.9014 0.4080 0.2184 0.135 Uiso 0.193(19) 1 calc PR A 2
H14I H 0.8239 0.3916 0.2336 0.135 Uiso 0.193(19) 1 calc PR A 2
C142 C 0.8673(2) 0.3041(3) 0.21079(13) 0.0834(11) Uani 1 1 d . . .
H14J H 0.8733 0.3097 0.1737 0.125 Uiso 0.807(19) 1 calc PR A 1
H14K H 0.9067 0.2664 0.2314 0.125 Uiso 0.807(19) 1 calc PR A 1
H14L H 0.9048 0.2893 0.2456 0.125 Uiso 0.193(19) 1 calc PR A 2
H14M H 0.8859 0.2861 0.1800 0.125 Uiso 0.193(19) 1 calc PR A 2
C143 C 0.7839(3) 0.1936(2) 0.18859(14) 0.0930(13) Uani 1 1 d . . .
H14N H 0.8240 0.1591 0.2118 0.112 Uiso 1 1 calc R A .
H14O H 0.7873 0.1906 0.1507 0.112 Uiso 1 1 calc R . .
C144 C 0.7065(2) 0.1658(2) 0.19100(15) 0.0946(12) Uani 1 1 d . A .
H14P H 0.7035 0.1697 0.2286 0.142 Uiso 1 1 calc R . .
H14Q H 0.6987 0.1101 0.1787 0.142 Uiso 1 1 calc R . .
H14R H 0.6672 0.1996 0.1673 0.142 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
N1 P1 C1 102.62(9) . . ?
N1 P1 C13 110.35(9) . . ?
C1 P1 C13 116.84(10) . . ?
N1 P1 C7 110.28(9) . . ?
C1 P1 C7 115.54(9) . . ?
C13 P1 C7 101.37(9) . . ?
N1 P1 Li2 50.81(9) . . ?
C1 P1 Li2 60.73(11) . . ?
C13 P1 Li2 154.04(10) . . ?
C7 P1 Li2 102.37(10) . . ?
N1 P1 Li1 49.56(10) . . ?
C1 P1 Li1 63.59(11) . . ?
C13 P1 Li1 101.11(10) . . ?
C7 P1 Li1 154.39(11) . . ?
Li2 P1 Li1 53.59(11) . . ?
N2 P2 C1 102.03(9) . . ?
N2 P2 C19 110.49(9) . . ?
C1 P2 C19 114.47(9) . . ?
N2 P2 C25 111.84(9) . . ?
C1 P2 C25 116.01(10) . . ?
C19 P2 C25 102.29(10) . . ?
N2 P2 Li4 50.28(9) . . ?
C1 P2 Li4 61.26(10) . . ?
C19 P2 Li4 100.60(10) . . ?
C25 P2 Li4 155.28(11) . . ?
N2 P2 Li3 49.76(10) . . ?
C1 P2 Li3 62.13(10) . . ?
C19 P2 Li3 152.98(11) . . ?
C25 P2 Li3 102.73(11) . . ?
Li4 P2 Li3 53.22(11) . . ?
N3 P3 C36 101.93(9) . . ?
N3 P3 C60 112.20(10) . . ?
C36 P3 C60 113.51(9) . . ?
N3 P3 C42 109.96(9) . . ?
C36 P3 C42 117.95(10) . . ?
C60 P3 C42 101.62(10) . . ?
N3 P3 Li3 50.86(10) . . ?
C36 P3 Li3 60.60(10) . . ?
C60 P3 Li3 153.97(11) . . ?
C42 P3 Li3 103.10(11) . . ?
N3 P3 Li2 49.95(9) . . ?
C36 P3 Li2 61.68(10) . . ?
C60 P3 Li2 101.16(10) . . ?
C42 P3 Li2 154.52(11) . . ?
Li3 P3 Li2 53.04(11) . . ?
N4 P4 C36 102.60(9) . . ?
N4 P4 C54 111.28(10) . . ?
C36 P4 C54 113.59(9) . . ?
N4 P4 C48 109.46(9) . . ?
C36 P4 C48 117.44(10) . . ?
C54 P4 C48 102.66(9) . . ?
N4 P4 Li4 50.77(9) . . ?
C36 P4 Li4 61.31(10) . . ?
C54 P4 Li4 100.79(10) . . ?
C48 P4 Li4 154.10(10) . . ?
N4 P4 Li1 49.41(10) . . ?
C36 P4 Li1 63.22(10) . . ?
C54 P4 Li1 153.58(11) . . ?
C48 P4 Li1 101.43(10) . . ?
Li4 P4 Li1 53.67(11) . . ?
C2 N1 P1 120.22(13) . . ?
C2 N1 Li1 132.22(16) . . ?
P1 N1 Li1 93.05(14) . . ?
C2 N1 Li2 133.69(17) . . ?
P1 N1 Li2 91.02(13) . . ?
Li1 N1 Li2 71.83(15) . . ?
C31 N2 P2 122.03(14) . . ?
C31 N2 Li4 129.02(16) . . ?
P2 N2 Li4 91.84(12) . . ?
C31 N2 Li3 134.06(17) . . ?
P2 N2 Li3 93.04(13) . . ?
Li4 N2 Li3 71.48(15) . . ?
C37 N3 P3 121.46(15) . . ?
C37 N3 Li2 133.15(17) . . ?
P3 N3 Li2 92.29(12) . . ?
C37 N3 Li3 132.32(17) . . ?
P3 N3 Li3 91.25(13) . . ?
Li2 N3 Li3 70.78(15) . . ?
C66 N4 P4 119.94(13) . . ?
C66 N4 Li1 130.44(16) . . ?
P4 N4 Li1 93.22(14) . . ?
C66 N4 Li4 135.43(17) . . ?
P4 N4 Li4 91.11(12) . . ?
Li1 N4 Li4 72.06(15) . . ?
P1 C1 P2 133.60(13) . . ?
P1 C1 Li2 80.33(12) . . ?
P2 C1 Li2 137.70(14) . . ?
P1 C1 Li4 136.23(13) . . ?
P2 C1 Li4 80.03(11) . . ?
Li2 C1 Li4 89.28(14) . . ?
P1 C1 Li3 138.25(15) . . ?
P2 C1 Li3 79.85(12) . . ?
Li2 C1 Li3 59.70(13) . . ?
Li4 C1 Li3 60.12(13) . . ?
P1 C1 Li1 78.48(11) . . ?
P2 C1 Li1 137.62(13) . . ?
Li2 C1 Li1 60.09(13) . . ?
Li4 C1 Li1 59.84(12) . . ?
Li3 C1 Li1 90.50(14) . . ?
N1 C2 C3 108.88(16) . . ?
N1 C2 C4 113.21(16) . . ?
C3 C2 C4 111.94(18) . . ?
N1 C2 H2 107.5 . . ?
C3 C2 H2 107.5 . . ?
C4 C2 H2 107.5 . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C5 110.1(2) . . ?
C6 C4 C2 113.42(18) . . ?
C5 C4 C2 111.13(18) . . ?
C6 C4 H4 107.3 . . ?
C5 C4 H4 107.3 . . ?
C2 C4 H4 107.3 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 C8 118.51(19) . . ?
C12 C7 P1 119.89(17) . . ?
C8 C7 P1 121.33(17) . . ?
C7 C8 C9 120.5(2) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 120.2(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 119.4(2) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 121.1(3) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C7 C12 C11 120.2(2) . . ?
C7 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C18 C13 C14 117.73(19) . . ?
C18 C13 P1 119.55(15) . . ?
C14 C13 P1 122.46(16) . . ?
C15 C14 C13 121.0(2) . . ?
C15 C14 H14 119.5 . . ?
C13 C14 H14 119.5 . . ?
C14 C15 C16 120.5(2) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 H15 119.7 . . ?
C15 C16 C17 119.4(2) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
C18 C17 C16 120.1(2) . . ?
C18 C17 H17 119.9 . . ?
C16 C17 H17 119.9 . . ?
C17 C18 C13 121.2(2) . . ?
C17 C18 H18 119.4 . . ?
C13 C18 H18 119.4 . . ?
C24 C19 C20 117.6(2) . . ?
C24 C19 P2 119.49(17) . . ?
C20 C19 P2 122.28(17) . . ?
C21 C20 C19 121.5(2) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C20 C21 C22 120.1(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C21 C22 C23 119.4(2) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C24 C23 C22 120.2(2) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C19 121.3(2) . . ?
C23 C24 H24 119.4 . . ?
C19 C24 H24 119.4 . . ?
C30 C25 C26 118.6(2) . . ?
C30 C25 P2 119.23(18) . . ?
C26 C25 P2 122.10(19) . . ?
C25 C26 C27 119.9(3) . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C28 C27 C26 120.1(3) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C29 C28 C27 119.7(2) . . ?
C29 C28 H28 120.1 . . ?
C27 C28 H28 120.1 . . ?
C28 C29 C30 120.6(3) . . ?
C28 C29 H29 119.7 . . ?
C30 C29 H29 119.7 . . ?
C25 C30 C29 121.1(3) . . ?
C25 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
N2 C31 C32 108.31(17) . . ?
N2 C31 C33 112.93(17) . . ?
C32 C31 C33 112.39(17) . . ?
N2 C31 H31 107.7 . . ?
C32 C31 H31 107.7 . . ?
C33 C31 H31 107.7 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C35 110.9(2) . . ?
C34 C33 C31 113.4(2) . . ?
C35 C33 C31 110.8(2) . . ?
C34 C33 H33 107.1 . . ?
C35 C33 H33 107.1 . . ?
C31 C33 H33 107.1 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
P3 C36 P4 132.49(13) . . ?
P3 C36 Li3 80.57(12) . . ?
P4 C36 Li3 138.57(15) . . ?
P3 C36 Li4 140.79(13) . . ?
P4 C36 Li4 79.80(11) . . ?
Li3 C36 Li4 61.35(13) . . ?
P3 C36 Li2 79.72(11) . . ?
P4 C36 Li2 136.94(13) . . ?
Li3 C36 Li2 60.30(13) . . ?
Li4 C36 Li2 88.57(14) . . ?
P3 C36 Li1 135.89(13) . . ?
P4 C36 Li1 78.76(11) . . ?
Li3 C36 Li1 92.71(15) . . ?
Li4 C36 Li1 60.13(14) . . ?
Li2 C36 Li1 59.80(12) . . ?
N3 C37 C38 108.17(18) . . ?
N3 C37 C39 112.71(19) . . ?
C38 C37 C39 112.28(19) . . ?
N3 C37 H37 107.8 . . ?
C38 C37 H37 107.8 . . ?
C39 C37 H37 107.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C40 C39 C41 110.6(2) . . ?
C40 C39 C37 113.3(2) . . ?
C41 C39 C37 111.5(2) . . ?
C40 C39 H39 107.0 . . ?
C41 C39 H39 107.0 . . ?
C37 C39 H39 107.0 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C47 118.6(2) . . ?
C43 C42 P3 119.47(17) . . ?
C47 C42 P3 121.69(18) . . ?
C44 C43 C42 120.9(2) . . ?
C44 C43 H43 119.6 . . ?
C42 C43 H43 119.6 . . ?
C43 C44 C45 119.4(3) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C46 C45 C44 120.4(2) . . ?
C46 C45 H45 119.8 . . ?
C44 C45 H45 119.8 . . ?
C45 C46 C47 120.5(3) . . ?
C45 C46 H46 119.7 . . ?
C47 C46 H46 119.7 . . ?
C42 C47 C46 120.2(3) . . ?
C42 C47 H47 119.9 . . ?
C46 C47 H47 119.9 . . ?
C49 C48 C53 118.96(19) . . ?
C49 C48 P4 118.82(15) . . ?
C53 C48 P4 121.69(16) . . ?
C48 C49 C50 120.78(19) . . ?
C48 C49 H49 119.6 . . ?
C50 C49 H49 119.6 . . ?
C51 C50 C49 119.8(2) . . ?
C51 C50 H50 120.1 . . ?
C49 C50 H50 120.1 . . ?
C50 C51 C52 120.2(2) . . ?
C50 C51 H51 119.9 . . ?
C52 C51 H51 119.9 . . ?
C51 C52 C53 120.1(2) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 H52 119.9 . . ?
C52 C53 C48 120.1(2) . . ?
C52 C53 H53 120.0 . . ?
C48 C53 H53 120.0 . . ?
C55 C54 C59 118.41(19) . . ?
C55 C54 P4 121.32(17) . . ?
C59 C54 P4 119.64(16) . . ?
C54 C55 C56 120.9(2) . . ?
C54 C55 H55 119.5 . . ?
C56 C55 H55 119.5 . . ?
C57 C56 C55 120.0(2) . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C58 C57 C56 119.8(2) . . ?
C58 C57 H57 120.1 . . ?
C56 C57 H57 120.1 . . ?
C57 C58 C59 120.2(2) . . ?
C57 C58 H58 119.9 . . ?
C59 C58 H58 119.9 . . ?
C58 C59 C54 120.6(2) . . ?
C58 C59 H59 119.7 . . ?
C54 C59 H59 119.7 . . ?
C61 C60 C65 117.8(2) . . ?
C61 C60 P3 120.07(17) . . ?
C65 C60 P3 121.54(17) . . ?
C62 C61 C60 120.6(2) . . ?
C62 C61 H61 119.7 . . ?
C60 C61 H61 119.7 . . ?
C63 C62 C61 120.6(2) . . ?
C63 C62 H62 119.7 . . ?
C61 C62 H62 119.7 . . ?
C64 C63 C62 119.4(2) . . ?
C64 C63 H63 120.3 . . ?
C62 C63 H63 120.3 . . ?
C63 C64 C65 120.3(2) . . ?
C63 C64 H64 119.9 . . ?
C65 C64 H64 119.9 . . ?
C64 C65 C60 121.3(2) . . ?
C64 C65 H65 119.3 . . ?
C60 C65 H65 119.3 . . ?
N4 C66 C67 108.81(17) . . ?
N4 C66 C68 112.25(16) . . ?
C67 C66 C68 112.60(18) . . ?
N4 C66 H66 107.7 . . ?
C67 C66 H66 107.7 . . ?
C68 C66 H66 107.7 . . ?
C66 C67 H67A 109.5 . . ?
C66 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C66 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C70 C68 C69 110.7(2) . . ?
C70 C68 C66 111.27(18) . . ?
C69 C68 C66 112.92(19) . . ?
C70 C68 H68 107.2 . . ?
C69 C68 H68 107.2 . . ?
C66 C68 H68 107.2 . . ?
C68 C69 H69A 109.5 . . ?
C68 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C68 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C68 C70 H70A 109.5 . . ?
C68 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C68 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
N4 Li1 N1 178.8(2) . . ?
N4 Li1 Li2 127.11(19) . . ?
N1 Li1 Li2 54.11(12) . . ?
N4 Li1 Li4 54.08(12) . . ?
N1 Li1 Li4 126.52(19) . . ?
Li2 Li1 Li4 86.82(17) . . ?
N4 Li1 C36 69.87(12) . . ?
N1 Li1 C36 111.36(17) . . ?
Li2 Li1 C36 58.73(13) . . ?
Li4 Li1 C36 58.13(13) . . ?
N4 Li1 C1 110.78(18) . . ?
N1 Li1 C1 69.57(12) . . ?
Li2 Li1 C1 57.54(13) . . ?
Li4 Li1 C1 58.16(13) . . ?
C36 Li1 C1 86.79(13) . . ?
N4 Li1 P4 37.36(8) . . ?
N1 Li1 P4 143.7(2) . . ?
Li2 Li1 P4 96.08(16) . . ?
Li4 Li1 P4 62.28(12) . . ?
C36 Li1 P4 38.03(7) . . ?
C1 Li1 P4 114.68(14) . . ?
N4 Li1 P1 142.4(2) . . ?
N1 Li1 P1 37.39(8) . . ?
Li2 Li1 P1 62.28(12) . . ?
Li4 Li1 P1 95.20(15) . . ?
C36 Li1 P1 115.16(14) . . ?
C1 Li1 P1 37.92(7) . . ?
P4 Li1 P1 150.74(15) . . ?
N4 Li1 Li3 90.22(14) . . ?
N1 Li1 Li3 90.80(14) . . ?
Li2 Li1 Li3 43.11(12) . . ?
Li4 Li1 Li3 43.74(12) . . ?
C36 Li1 Li3 42.48(10) . . ?
C1 Li1 Li3 44.32(10) . . ?
P4 Li1 Li3 74.54(11) . . ?
P1 Li1 Li3 76.22(11) . . ?
N3 Li2 N1 172.1(2) . . ?
N3 Li2 C1 114.72(17) . . ?
N1 Li2 C1 72.04(13) . . ?
N3 Li2 Li3 55.02(13) . . ?
N1 Li2 Li3 132.6(2) . . ?
C1 Li2 Li3 61.83(14) . . ?
N3 Li2 C36 70.89(12) . . ?
N1 Li2 C36 113.99(16) . . ?
C1 Li2 C36 91.08(14) . . ?
Li3 Li2 C36 59.10(13) . . ?
N3 Li2 Li1 131.92(19) . . ?
N1 Li2 Li1 54.07(13) . . ?
C1 Li2 Li1 62.37(14) . . ?
Li3 Li2 Li1 93.01(18) . . ?
C36 Li2 Li1 61.47(13) . . ?
N3 Li2 P1 145.88(18) . . ?
N1 Li2 P1 38.18(8) . . ?
C1 Li2 P1 38.94(8) . . ?
Li3 Li2 P1 100.00(17) . . ?
C36 Li2 P1 119.23(15) . . ?
Li1 Li2 P1 64.14(13) . . ?
N3 Li2 P3 37.76(8) . . ?
N1 Li2 P3 143.46(17) . . ?
C1 Li2 P3 119.86(15) . . ?
Li3 Li2 P3 63.35(13) . . ?
C36 Li2 P3 38.60(7) . . ?
Li1 Li2 P3 98.48(15) . . ?
P1 Li2 P3 156.36(15) . . ?
N3 Li2 Li4 94.65(14) . . ?
N1 Li2 Li4 93.07(14) . . ?
C1 Li2 Li4 45.65(10) . . ?
Li3 Li2 Li4 46.43(12) . . ?
C36 Li2 Li4 45.45(10) . . ?
Li1 Li2 Li4 46.62(12) . . ?
P1 Li2 Li4 77.68(11) . . ?
P3 Li2 Li4 78.70(11) . . ?
N3 Li3 N2 177.1(2) . . ?
N3 Li3 C36 71.31(14) . . ?
N2 Li3 C36 111.59(17) . . ?
N3 Li3 Li2 54.20(14) . . ?
N2 Li3 Li2 127.0(2) . . ?
C36 Li3 Li2 60.60(13) . . ?
N3 Li3 Li4 128.9(2) . . ?
N2 Li3 Li4 53.94(13) . . ?
C36 Li3 Li4 59.63(13) . . ?
Li2 Li3 Li4 87.79(16) . . ?
N3 Li3 C1 110.69(17) . . ?
N2 Li3 C1 69.76(13) . . ?
C36 Li3 C1 90.00(13) . . ?
Li2 Li3 C1 58.47(13) . . ?
Li4 Li3 C1 58.78(13) . . ?
N3 Li3 P3 37.89(8) . . ?
N2 Li3 P3 144.69(18) . . ?
C36 Li3 P3 38.83(8) . . ?
Li2 Li3 P3 63.62(13) . . ?
Li4 Li3 P3 98.01(15) . . ?
C1 Li3 P3 117.10(14) . . ?
N3 Li3 P2 141.92(18) . . ?
N2 Li3 P2 37.20(8) . . ?
C36 Li3 P2 117.25(15) . . ?
Li2 Li3 P2 95.73(15) . . ?
Li4 Li3 P2 62.55(13) . . ?
C1 Li3 P2 38.02(8) . . ?
P3 Li3 P2 153.26(14) . . ?
N3 Li3 Li1 90.95(14) . . ?
N2 Li3 Li1 91.28(14) . . ?
C36 Li3 Li1 44.81(10) . . ?
Li2 Li3 Li1 43.88(12) . . ?
Li4 Li3 Li1 43.95(12) . . ?
C1 Li3 Li1 45.18(10) . . ?
P3 Li3 Li1 76.46(11) . . ?
P2 Li3 Li1 76.82(11) . . ?
N2 Li4 N4 173.9(2) . . ?
N2 Li4 C36 111.62(17) . . ?
N4 Li4 C36 71.65(13) . . ?
N2 Li4 C1 71.20(12) . . ?
N4 Li4 C1 114.30(16) . . ?
C36 Li4 C1 91.02(14) . . ?
N2 Li4 Li3 54.58(13) . . ?
N4 Li4 Li3 129.8(2) . . ?
C36 Li4 Li3 59.02(14) . . ?
C1 Li4 Li3 61.10(13) . . ?
N2 Li4 Li1 132.11(18) . . ?
N4 Li4 Li1 53.86(12) . . ?
C36 Li4 Li1 61.74(14) . . ?
C1 Li4 Li1 62.00(13) . . ?
Li3 Li4 Li1 92.30(17) . . ?
N2 Li4 P4 142.35(18) . . ?
N4 Li4 P4 38.12(8) . . ?
C36 Li4 P4 38.89(7) . . ?
C1 Li4 P4 119.63(15) . . ?
Li3 Li4 P4 96.87(16) . . ?
Li1 Li4 P4 64.04(13) . . ?
N2 Li4 P2 37.88(7) . . ?
N4 Li4 P2 145.76(17) . . ?
C36 Li4 P2 118.22(14) . . ?
C1 Li4 P2 38.71(7) . . ?
Li3 Li4 P2 64.23(12) . . ?
Li1 Li4 P2 99.74(15) . . ?
P4 Li4 P2 155.60(15) . . ?
N2 Li4 Li2 92.68(13) . . ?
N4 Li4 Li2 93.19(14) . . ?
C36 Li4 Li2 45.98(10) . . ?
C1 Li4 Li2 45.06(10) . . ?
Li3 Li4 Li2 45.77(12) . . ?
Li1 Li4 Li2 46.57(12) . . ?
P4 Li4 Li2 78.25(11) . . ?
P2 Li4 Li2 77.43(10) . . ?
N5 P5 C71 102.42(9) . . ?
N5 P5 C77 110.95(9) . . ?
C71 P5 C77 114.77(9) . . ?
N5 P5 C83 111.86(9) . . ?
C71 P5 C83 115.95(10) . . ?
C77 P5 C83 101.24(10) . . ?
N5 P5 Li7 50.15(10) . . ?
C71 P5 Li7 61.20(11) . . ?
C77 P5 Li7 102.26(10) . . ?
C83 P5 Li7 154.73(11) . . ?
N5 P5 Li8 49.39(10) . . ?
C71 P5 Li8 63.55(11) . . ?
C77 P5 Li8 154.45(10) . . ?
C83 P5 Li8 101.85(11) . . ?
Li7 P5 Li8 53.42(11) . . ?
N6 P6 C71 102.48(9) . . ?
N6 P6 C95 110.31(9) . . ?
C71 P6 C95 116.93(10) . . ?
N6 P6 C89 110.54(10) . . ?
C71 P6 C89 115.35(9) . . ?
C95 P6 C89 101.40(10) . . ?
N6 P6 Li5 50.33(10) . . ?
C71 P6 Li5 60.99(11) . . ?
C95 P6 Li5 153.72(10) . . ?
C89 P6 Li5 102.52(11) . . ?
N6 P6 Li6 50.00(10) . . ?
C71 P6 Li6 62.93(10) . . ?
C95 P6 Li6 101.26(11) . . ?
C89 P6 Li6 154.60(12) . . ?
Li5 P6 Li6 53.29(12) . . ?
N7 P7 C106 102.37(9) . . ?
N7 P7 C118 111.55(9) . . ?
C106 P7 C118 113.92(10) . . ?
N7 P7 C112 110.37(9) . . ?
C106 P7 C112 117.73(10) . . ?
C118 P7 C112 101.19(10) . . ?
N7 P7 Li5 50.19(10) . . ?
C106 P7 Li5 61.13(11) . . ?
C118 P7 Li5 102.06(11) . . ?
C112 P7 Li5 154.35(11) . . ?
N7 P7 Li8 50.09(10) . . ?
C106 P7 Li8 62.70(10) . . ?
C118 P7 Li8 154.68(11) . . ?
C112 P7 Li8 102.04(11) . . ?
Li5 P7 Li8 53.37(12) . . ?
N8 P8 C106 102.47(9) . . ?
N8 P8 C124 110.47(10) . . ?
C106 P8 C124 114.01(9) . . ?
N8 P8 C130 110.19(9) . . ?
C106 P8 C130 117.32(11) . . ?
C124 P8 C130 102.52(10) . . ?
N8 P8 Li7 50.58(10) . . ?
C106 P8 Li7 61.40(11) . . ?
C124 P8 Li7 100.29(11) . . ?
C130 P8 Li7 154.70(11) . . ?
N8 P8 Li6 49.19(10) . . ?
C106 P8 Li6 63.22(10) . . ?
C124 P8 Li6 152.74(12) . . ?
C130 P8 Li6 102.15(11) . . ?
Li7 P8 Li6 53.49(11) . . ?
C72 N5 P5 120.20(14) . . ?
C72 N5 Li7 133.93(16) . . ?
P5 N5 Li7 92.10(13) . . ?
C72 N5 Li8 130.67(17) . . ?
P5 N5 Li8 93.55(13) . . ?
Li7 N5 Li8 72.03(16) . . ?
C101 N6 P6 120.48(14) . . ?
C101 N6 Li5 133.74(18) . . ?
P6 N6 Li5 91.69(13) . . ?
C101 N6 Li6 132.20(16) . . ?
P6 N6 Li6 92.28(14) . . ?
Li5 N6 Li6 71.42(16) . . ?
C107 N7 P7 121.38(14) . . ?
C107 N7 Li5 131.57(17) . . ?
P7 N7 Li5 92.21(13) . . ?
C107 N7 Li8 132.55(17) . . ?
P7 N7 Li8 92.58(12) . . ?
Li5 N7 Li8 71.54(16) . . ?
C136 N8 P8 120.34(14) . . ?
C136 N8 Li6 132.81(17) . . ?
P8 N8 Li6 93.52(14) . . ?
C136 N8 Li7 132.09(18) . . ?
P8 N8 Li7 91.44(13) . . ?
Li6 N8 Li7 72.02(15) . . ?
P6 C71 P5 133.88(13) . . ?
P6 C71 Li5 80.44(12) . . ?
P5 C71 Li5 136.61(14) . . ?
P6 C71 Li7 137.49(14) . . ?
P5 C71 Li7 80.12(12) . . ?
Li5 C71 Li7 88.08(15) . . ?
P6 C71 Li6 78.97(11) . . ?
P5 C71 Li6 137.97(14) . . ?
Li5 C71 Li6 59.97(14) . . ?
Li7 C71 Li6 60.11(13) . . ?
P6 C71 Li8 137.68(14) . . ?
P5 C71 Li8 78.65(11) . . ?
Li5 C71 Li8 59.62(13) . . ?
Li7 C71 Li8 59.78(13) . . ?
Li6 C71 Li8 91.42(14) . . ?
N5 C72 C73 109.10(16) . . ?
N5 C72 C74 112.82(16) . . ?
C73 C72 C74 112.38(17) . . ?
N5 C72 H72 107.4 . . ?
C73 C72 H72 107.4 . . ?
C74 C72 H72 107.4 . . ?
C72 C73 H73A 109.5 . . ?
C72 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C72 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C75 C74 C76 110.85(19) . . ?
C75 C74 C72 112.94(18) . . ?
C76 C74 C72 111.00(18) . . ?
C75 C74 H74 107.2 . . ?
C76 C74 H74 107.2 . . ?
C72 C74 H74 107.2 . . ?
C74 C75 H75A 109.5 . . ?
C74 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C74 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C74 C76 H76A 109.5 . . ?
C74 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C74 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C82 C77 C78 117.9(2) . . ?
C82 C77 P5 121.44(17) . . ?
C78 C77 P5 120.33(16) . . ?
C79 C78 C77 120.7(2) . . ?
C79 C78 H78 119.6 . . ?
C77 C78 H78 119.6 . . ?
C80 C79 C78 120.6(2) . . ?
C80 C79 H79 119.7 . . ?
C78 C79 H79 119.7 . . ?
C79 C80 C81 119.6(2) . . ?
C79 C80 H80 120.2 . . ?
C81 C80 H80 120.2 . . ?
C82 C81 C80 119.6(2) . . ?
C82 C81 H81 120.2 . . ?
C80 C81 H81 120.2 . . ?
C77 C82 C81 121.7(2) . . ?
C77 C82 H82 119.2 . . ?
C81 C82 H82 119.2 . . ?
C84 C83 C88 118.7(2) . . ?
C84 C83 P5 119.44(18) . . ?
C88 C83 P5 121.86(18) . . ?
C83 C84 C85 120.1(3) . . ?
C83 C84 H84 119.9 . . ?
C85 C84 H84 119.9 . . ?
C86 C85 C84 119.7(3) . . ?
C86 C85 H85 120.2 . . ?
C84 C85 H85 120.2 . . ?
C85 C86 C87 121.4(2) . . ?
C85 C86 H86 119.3 . . ?
C87 C86 H86 119.3 . . ?
C88 C87 C86 118.7(3) . . ?
C88 C87 H87 120.7 . . ?
C86 C87 H87 120.7 . . ?
C87 C88 C83 121.4(3) . . ?
C87 C88 H88 119.3 . . ?
C83 C88 H88 119.3 . . ?
C90 C89 C94 117.39(19) . . ?
C90 C89 P6 120.44(17) . . ?
C94 C89 P6 121.89(17) . . ?
C91 C90 C89 121.0(2) . . ?
C91 C90 H90 119.5 . . ?
C89 C90 H90 119.5 . . ?
C92 C91 C90 119.8(2) . . ?
C92 C91 H91 120.1 . . ?
C90 C91 H91 120.1 . . ?
C93 C92 C91 120.6(2) . . ?
C93 C92 H92 119.7 . . ?
C91 C92 H92 119.7 . . ?
C92 C93 C94 119.9(2) . . ?
C92 C93 H93 120.0 . . ?
C94 C93 H93 120.0 . . ?
C93 C94 C89 121.2(2) . . ?
C93 C94 H94 119.4 . . ?
C89 C94 H94 119.4 . . ?
C96 C95 C100 117.8(2) . . ?
C96 C95 P6 119.70(16) . . ?
C100 C95 P6 122.28(17) . . ?
C95 C96 C97 121.5(2) . . ?
C95 C96 H96 119.3 . . ?
C97 C96 H96 119.3 . . ?
C98 C97 C96 119.8(2) . . ?
C98 C97 H97 120.1 . . ?
C96 C97 H97 120.1 . . ?
C99 C98 C97 119.7(2) . . ?
C99 C98 H98 120.1 . . ?
C97 C98 H98 120.1 . . ?
C100 C99 C98 120.3(2) . . ?
C100 C99 H99 119.8 . . ?
C98 C99 H99 119.8 . . ?
C99 C100 C95 120.8(2) . . ?
C99 C100 H100 119.6 . . ?
C95 C100 H100 119.6 . . ?
N6 C101 C102 109.15(17) . . ?
N6 C101 C103 112.76(17) . . ?
C102 C101 C103 112.11(19) . . ?
N6 C101 H101 107.5 . . ?
C102 C101 H101 107.5 . . ?
C103 C101 H101 107.5 . . ?
C101 C102 H10A 109.5 . . ?
C101 C102 H10B 109.5 . . ?
H10A C102 H10B 109.5 . . ?
C101 C102 H10C 109.5 . . ?
H10A C102 H10C 109.5 . . ?
H10B C102 H10C 109.5 . . ?
C104 C103 C105 110.2(2) . . ?
C104 C103 C101 113.3(2) . . ?
C105 C103 C101 110.8(2) . . ?
C104 C103 H103 107.4 . . ?
C105 C103 H103 107.4 . . ?
C101 C103 H103 107.4 . . ?
C103 C104 H10D 109.5 . . ?
C103 C104 H10E 109.5 . . ?
H10D C104 H10E 109.5 . . ?
C103 C104 H10F 109.5 . . ?
H10D C104 H10F 109.5 . . ?
H10E C104 H10F 109.5 . . ?
C103 C105 H10G 109.5 . . ?
C103 C105 H10H 109.5 . . ?
H10G C105 H10H 109.5 . . ?
C103 C105 H10I 109.5 . . ?
H10G C105 H10I 109.5 . . ?
H10H C105 H10I 109.5 . . ?
P7 C106 P8 133.77(13) . . ?
P7 C106 Li7 138.16(14) . . ?
P8 C106 Li7 79.78(12) . . ?
P7 C106 Li5 80.33(12) . . ?
P8 C106 Li5 136.89(13) . . ?
Li7 C106 Li5 87.99(15) . . ?
P7 C106 Li8 79.19(12) . . ?
P8 C106 Li8 137.68(15) . . ?
Li7 C106 Li8 60.39(13) . . ?
Li5 C106 Li8 60.11(13) . . ?
P7 C106 Li6 137.27(14) . . ?
P8 C106 Li6 78.74(11) . . ?
Li7 C106 Li6 59.89(14) . . ?
Li5 C106 Li6 59.63(13) . . ?
Li8 C106 Li6 91.95(14) . . ?
N7 C107 C108 108.23(17) . . ?
N7 C107 C109 113.14(18) . . ?
C108 C107 C109 111.91(18) . . ?
N7 C107 H107 107.8 . . ?
C108 C107 H107 107.8 . . ?
C109 C107 H107 107.8 . . ?
C107 C108 H10J 109.5 . . ?
C107 C108 H10K 109.5 . . ?
H10J C108 H10K 109.5 . . ?
C107 C108 H10L 109.5 . . ?
H10J C108 H10L 109.5 . . ?
H10K C108 H10L 109.5 . . ?
C111 C109 C110 111.2(2) . . ?
C111 C109 C107 113.6(2) . . ?
C110 C109 C107 110.3(2) . . ?
C111 C109 H109 107.2 . . ?
C110 C109 H109 107.2 . . ?
C107 C109 H109 107.2 . . ?
C109 C110 H11A 109.5 . . ?
C109 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C109 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C109 C111 H11D 109.5 . . ?
C109 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C109 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C113 C112 C117 118.31(19) . . ?
C113 C112 P7 120.03(16) . . ?
C117 C112 P7 121.46(16) . . ?
C114 C113 C112 120.7(2) . . ?
C114 C113 H113 119.7 . . ?
C112 C113 H113 119.7 . . ?
C115 C114 C113 120.4(2) . . ?
C115 C114 H114 119.8 . . ?
C113 C114 H114 119.8 . . ?
C114 C115 C116 119.7(2) . . ?
C114 C115 H115 120.1 . . ?
C116 C115 H115 120.1 . . ?
C117 C116 C115 120.2(2) . . ?
C117 C116 H116 119.9 . . ?
C115 C116 H116 119.9 . . ?
C116 C117 C112 120.7(2) . . ?
C116 C117 H117 119.6 . . ?
C112 C117 H117 119.6 . . ?
C119 C118 C123 118.3(2) . . ?
C119 C118 P7 120.89(17) . . ?
C123 C118 P7 120.32(17) . . ?
C118 C119 C120 121.1(2) . . ?
C118 C119 H119 119.4 . . ?
C120 C119 H119 119.4 . . ?
C121 C120 C119 119.9(3) . . ?
C121 C120 H120 120.0 . . ?
C119 C120 H120 120.0 . . ?
C120 C121 C122 119.6(3) . . ?
C120 C121 H121 120.2 . . ?
C122 C121 H121 120.2 . . ?
C123 C122 C121 120.1(2) . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C122 C123 C118 121.0(2) . . ?
C122 C123 H123 119.5 . . ?
C118 C123 H123 119.5 . . ?
C129 C124 C125 117.3(2) . . ?
C129 C124 P8 122.16(17) . . ?
C125 C124 P8 119.63(17) . . ?
C126 C125 C124 122.0(2) . . ?
C126 C125 H125 119.0 . . ?
C124 C125 H125 119.0 . . ?
C125 C126 C127 119.3(2) . . ?
C125 C126 H126 120.3 . . ?
C127 C126 H126 120.3 . . ?
C128 C127 C126 119.6(2) . . ?
C128 C127 H127 120.2 . . ?
C126 C127 H127 120.2 . . ?
C127 C128 C129 121.0(2) . . ?
C127 C128 H128 119.5 . . ?
C129 C128 H128 119.5 . . ?
C128 C129 C124 120.7(2) . . ?
C128 C129 H129 119.7 . . ?
C124 C129 H129 119.7 . . ?
C135 C130 C131 118.3(2) . . ?
C135 C130 P8 119.22(16) . . ?
C131 C130 P8 121.92(19) . . ?
C130 C131 C132 120.2(2) . . ?
C130 C131 H131 119.9 . . ?
C132 C131 H131 119.9 . . ?
C133 C132 C131 120.6(2) . . ?
C133 C132 H132 119.7 . . ?
C131 C132 H132 119.7 . . ?
C132 C133 C134 120.0(2) . . ?
C132 C133 H133 120.0 . . ?
C134 C133 H133 120.0 . . ?
C135 C134 C133 119.3(3) . . ?
C135 C134 H134 120.3 . . ?
C133 C134 H134 120.3 . . ?
C134 C135 C130 121.5(2) . . ?
C134 C135 H135 119.2 . . ?
C130 C135 H135 119.2 . . ?
N8 C136 C137 108.41(18) . . ?
N8 C136 C138 113.0(2) . . ?
C137 C136 C138 112.1(2) . . ?
N8 C136 H136 107.7 . . ?
C137 C136 H136 107.7 . . ?
C138 C136 H136 107.7 . . ?
C136 C137 H13A 109.5 . . ?
C136 C137 H13B 109.5 . . ?
H13A C137 H13B 109.5 . . ?
C136 C137 H13C 109.5 . . ?
H13A C137 H13C 109.5 . . ?
H13B C137 H13C 109.5 . . ?
C140 C138 C136 113.4(2) . . ?
C140 C138 C139 112.5(3) . . ?
C136 C138 C139 108.6(3) . . ?
C140 C138 H138 107.3 . . ?
C136 C138 H138 107.3 . . ?
C139 C138 H138 107.3 . . ?
C138 C139 H13D 109.5 . . ?
C138 C139 H13E 109.5 . . ?
H13D C139 H13E 109.5 . . ?
C138 C139 H13F 109.5 . . ?
H13D C139 H13F 109.5 . . ?
H13E C139 H13F 109.5 . . ?
C138 C140 H14A 109.5 . . ?
C138 C140 H14B 109.5 . . ?
H14A C140 H14B 109.5 . . ?
C138 C140 H14C 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
N7 Li5 N6 172.0(2) . . ?
N7 Li5 C71 114.99(18) . . ?
N6 Li5 C71 71.53(13) . . ?
N7 Li5 C106 71.08(13) . . ?
N6 Li5 C106 114.26(17) . . ?
C71 Li5 C106 92.00(15) . . ?
N7 Li5 Li6 132.2(2) . . ?
N6 Li5 Li6 54.34(13) . . ?
C71 Li5 Li6 61.42(14) . . ?
C106 Li5 Li6 61.82(13) . . ?
N7 Li5 Li8 54.42(13) . . ?
N6 Li5 Li8 133.0(2) . . ?
C71 Li5 Li8 62.35(14) . . ?
C106 Li5 Li8 61.14(13) . . ?
Li6 Li5 Li8 93.86(18) . . ?
N7 Li5 P6 145.60(19) . . ?
N6 Li5 P6 37.98(8) . . ?
C71 Li5 P6 38.56(7) . . ?
C106 Li5 P6 119.77(16) . . ?
Li6 Li5 P6 63.67(13) . . ?
Li8 Li5 P6 99.88(17) . . ?
N7 Li5 P7 37.59(8) . . ?
N6 Li5 P7 144.27(18) . . ?
C71 Li5 P7 120.14(16) . . ?
C106 Li5 P7 38.53(7) . . ?
Li6 Li5 P7 99.19(16) . . ?
Li8 Li5 P7 63.65(12) . . ?
P6 Li5 P7 156.51(17) . . ?
N7 Li5 Li7 94.01(15) . . ?
N6 Li5 Li7 93.93(15) . . ?
C71 Li5 Li7 46.03(11) . . ?
C106 Li5 Li7 45.96(11) . . ?
Li6 Li5 Li7 46.85(13) . . ?
Li8 Li5 Li7 47.01(13) . . ?
P6 Li5 Li7 78.19(12) . . ?
P7 Li5 Li7 78.32(11) . . ?
N8 Li6 N6 178.7(2) . . ?
N8 Li6 Li5 126.8(2) . . ?
N6 Li6 Li5 54.24(13) . . ?
N8 Li6 Li7 54.18(13) . . ?
N6 Li6 Li7 127.06(19) . . ?
Li5 Li6 Li7 86.50(17) . . ?
N8 Li6 C71 111.05(18) . . ?
N6 Li6 C71 70.06(13) . . ?
Li5 Li6 C71 58.61(13) . . ?
Li7 Li6 C71 58.67(13) . . ?
N8 Li6 C106 69.84(13) . . ?
N6 Li6 C106 111.00(18) . . ?
Li5 Li6 C106 58.55(13) . . ?
Li7 Li6 C106 58.36(13) . . ?
C71 Li6 C106 88.49(13) . . ?
N8 Li6 P6 143.0(2) . . ?
N6 Li6 P6 37.72(8) . . ?
Li5 Li6 P6 63.04(12) . . ?
Li7 Li6 P6 96.11(15) . . ?
C71 Li6 P6 38.10(7) . . ?
C106 Li6 P6 116.28(14) . . ?
N8 Li6 P8 37.29(8) . . ?
N6 Li6 P8 143.0(2) . . ?
Li5 Li6 P8 95.96(16) . . ?
Li7 Li6 P8 62.46(12) . . ?
C71 Li6 P8 115.97(15) . . ?
C106 Li6 P8 38.04(7) . . ?
P6 Li6 P8 151.97(15) . . ?
N8 Li6 Li8 90.49(14) . . ?
N6 Li6 Li8 90.78(14) . . ?
Li5 Li6 Li8 43.14(12) . . ?
Li7 Li6 Li8 43.36(12) . . ?
C71 Li6 Li8 44.71(10) . . ?
C106 Li6 Li8 43.78(10) . . ?
P6 Li6 Li8 76.45(10) . . ?
P8 Li6 Li8 75.52(10) . . ?
N5 Li7 N8 173.6(2) . . ?
N5 Li7 C106 113.49(17) . . ?
N8 Li7 C106 71.44(13) . . ?
N5 Li7 C71 71.37(12) . . ?
N8 Li7 C71 113.15(17) . . ?
C106 Li7 C71 91.93(15) . . ?
N5 Li7 Li6 131.65(19) . . ?
N8 Li7 Li6 53.80(13) . . ?
C106 Li7 Li6 61.75(14) . . ?
C71 Li7 Li6 61.22(13) . . ?
N5 Li7 Li8 54.16(13) . . ?
N8 Li7 Li8 131.6(2) . . ?
C106 Li7 Li8 61.06(14) . . ?
C71 Li7 Li8 62.13(13) . . ?
Li6 Li7 Li8 93.44(18) . . ?
N5 Li7 P8 144.47(19) . . ?
N8 Li7 P8 37.98(8) . . ?
C106 Li7 P8 38.83(8) . . ?
C71 Li7 P8 119.68(16) . . ?
Li6 Li7 P8 64.05(13) . . ?
Li8 Li7 P8 98.82(16) . . ?
N5 Li7 P5 37.75(8) . . ?
N8 Li7 P5 144.18(18) . . ?
C106 Li7 P5 119.42(15) . . ?
C71 Li7 P5 38.67(7) . . ?
Li6 Li7 P5 98.93(15) . . ?
Li8 Li7 P5 64.11(12) . . ?
P8 Li7 P5 156.19(16) . . ?
N5 Li7 Li5 93.20(14) . . ?
N8 Li7 Li5 93.15(15) . . ?
C106 Li7 Li5 46.05(11) . . ?
C71 Li7 Li5 45.89(11) . . ?
Li6 Li7 Li5 46.65(13) . . ?
Li8 Li7 Li5 46.79(12) . . ?
P8 Li7 Li5 78.30(12) . . ?
P5 Li7 Li5 77.89(11) . . ?
N5 Li8 N7 179.3(2) . . ?
N5 Li8 Li5 125.7(2) . . ?
N7 Li8 Li5 54.05(14) . . ?
N5 Li8 Li7 53.81(13) . . ?
N7 Li8 Li7 126.5(2) . . ?
Li5 Li8 Li7 86.20(17) . . ?
N5 Li8 C106 110.72(16) . . ?
N7 Li8 C106 69.71(13) . . ?
Li5 Li8 C106 58.76(13) . . ?
Li7 Li8 C106 58.55(13) . . ?
N5 Li8 C71 69.15(13) . . ?
N7 Li8 C71 110.44(17) . . ?
Li5 Li8 C71 58.03(13) . . ?
Li7 Li8 C71 58.09(13) . . ?
C106 Li8 C71 88.14(14) . . ?
N5 Li8 P7 143.29(17) . . ?
N7 Li8 P7 37.32(8) . . ?
Li5 Li8 P7 62.98(13) . . ?
Li7 Li8 P7 96.07(15) . . ?
C106 Li8 P7 38.10(7) . . ?
C71 Li8 P7 115.70(15) . . ?
N5 Li8 P5 37.06(8) . . ?
N7 Li8 P5 142.34(18) . . ?
Li5 Li8 P5 95.15(15) . . ?
Li7 Li8 P5 62.47(12) . . ?
C106 Li8 P5 115.71(15) . . ?
C71 Li8 P5 37.81(7) . . ?
P7 Li8 P5 151.42(15) . . ?
N5 Li8 Li6 89.96(14) . . ?
N7 Li8 Li6 90.06(15) . . ?
Li5 Li8 Li6 43.00(12) . . ?
Li7 Li8 Li6 43.20(12) . . ?
C106 Li8 Li6 44.26(10) . . ?
C71 Li8 Li6 43.87(10) . . ?
P7 Li8 Li6 75.88(11) . . ?
P5 Li8 Li6 75.54(11) . . ?
C143 O1 C142 113.6(3) . . ?
C142 C141 H14D 109.5 . . ?
C142 C141 H14E 109.5 . . ?
C142 C141 H14F 109.5 . . ?
C142 C14B H14G 109.5 . . ?
C142 C14B H14H 109.5 . . ?
H14G C14B H14H 109.5 . . ?
C142 C14B H14I 109.5 . . ?
H14G C14B H14I 109.5 . . ?
H14H C14B H14I 109.5 . . ?
C14B C142 O1 100.7(14) . . ?
C14B C142 C141 31.6(18) . . ?
O1 C142 C141 111.0(3) . . ?
C14B C142 H14J 86.3 . . ?
O1 C142 H14J 109.4 . . ?
C141 C142 H14J 109.4 . . ?
C14B C142 H14K 139.2 . . ?
O1 C142 H14K 109.4 . . ?
C141 C142 H14K 109.4 . . ?
H14J C142 H14K 108.0 . . ?
C14B C142 H14L 111.6 . . ?
O1 C142 H14L 111.6 . . ?
C141 C142 H14L 80.2 . . ?
H14J C142 H14L 130.4 . . ?
H14K C142 H14L 31.3 . . ?
C14B C142 H14M 111.6 . . ?
O1 C142 H14M 111.6 . . ?
C141 C142 H14M 128.1 . . ?
H14J C142 H14M 27.0 . . ?
H14K C142 H14M 82.4 . . ?
H14L C142 H14M 109.4 . . ?
O1 C143 C144 108.0(3) . . ?
O1 C143 H14N 110.1 . . ?
C144 C143 H14N 110.1 . . ?
O1 C143 H14O 110.1 . . ?
C144 C143 H14O 110.1 . . ?
H14N C143 H14O 108.4 . . ?
C143 C144 H14P 109.5 . . ?
C143 C144 H14Q 109.5 . . ?
H14P C144 H14Q 109.5 . . ?
C143 C144 H14R 109.5 . . ?
H14P C144 H14R 109.5 . . ?
H14Q C144 H14R 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
P1 N1 1.6344(18) . ?
P1 C1 1.686(2) . ?
P1 C13 1.827(2) . ?
P1 C7 1.8314(19) . ?
P1 Li2 2.644(4) . ?
P1 Li1 2.687(4) . ?
P2 N2 1.6310(17) . ?
P2 C1 1.686(2) . ?
P2 C19 1.833(2) . ?
P2 C25 1.840(2) . ?
P2 Li4 2.655(3) . ?
P2 Li3 2.694(4) . ?
P3 N3 1.6285(18) . ?
P3 C36 1.685(2) . ?
P3 C60 1.823(2) . ?
P3 C42 1.838(2) . ?
P3 Li3 2.651(4) . ?
P3 Li2 2.657(4) . ?
P4 N4 1.6317(18) . ?
P4 C36 1.6861(19) . ?
P4 C54 1.832(2) . ?
P4 C48 1.833(2) . ?
P4 Li4 2.643(4) . ?
P4 Li1 2.684(4) . ?
N1 C2 1.472(2) . ?
N1 Li1 2.048(4) . ?
N1 Li2 2.049(4) . ?
N2 C31 1.478(3) . ?
N2 Li4 2.043(4) . ?
N2 Li3 2.059(4) . ?
N3 C37 1.477(3) . ?
N3 Li2 2.035(4) . ?
N3 Li3 2.056(4) . ?
N4 C66 1.477(2) . ?
N4 Li1 2.042(4) . ?
N4 Li4 2.048(4) . ?
C1 Li2 2.339(4) . ?
C1 Li4 2.363(4) . ?
C1 Li3 2.419(4) . ?
C1 Li1 2.456(4) . ?
C2 C3 1.527(3) . ?
C2 C4 1.554(3) . ?
C2 H2 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 C6 1.520(3) . ?
C4 C5 1.529(3) . ?
C4 H4 1.0000 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C12 1.386(3) . ?
C7 C8 1.387(3) . ?
C8 C9 1.391(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.379(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.359(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.389(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.390(3) . ?
C13 C14 1.400(3) . ?
C14 C15 1.376(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.379(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.383(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.392(3) . ?
C19 C20 1.397(3) . ?
C20 C21 1.373(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.391(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.374(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.378(3) . ?
C25 C26 1.399(3) . ?
C26 C27 1.403(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.390(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.360(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.393(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.522(3) . ?
C31 C33 1.541(3) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.521(4) . ?
C33 C35 1.531(3) . ?
C33 H33 1.0000 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 Li3 2.341(4) . ?
C36 Li4 2.356(4) . ?
C36 Li2 2.377(4) . ?
C36 Li1 2.443(4) . ?
C37 C38 1.526(3) . ?
C37 C39 1.535(3) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C40 1.515(4) . ?
C39 C41 1.520(4) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.386(3) . ?
C42 C47 1.386(3) . ?
C43 C44 1.382(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.387(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.350(4) . ?
C45 H45 0.9500 . ?
C46 C47 1.392(3) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C48 C49 1.382(3) . ?
C48 C53 1.400(3) . ?
C49 C50 1.392(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.377(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.384(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.388(3) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C54 C55 1.385(3) . ?
C54 C59 1.394(3) . ?
C55 C56 1.391(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.380(4) . ?
C56 H56 0.9500 . ?
C57 C58 1.379(4) . ?
C57 H57 0.9500 . ?
C58 C59 1.390(3) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 C61 1.397(3) . ?
C60 C65 1.397(3) . ?
C61 C62 1.388(3) . ?
C61 H61 0.9500 . ?
C62 C63 1.385(4) . ?
C62 H62 0.9500 . ?
C63 C64 1.379(4) . ?
C63 H63 0.9500 . ?
C64 C65 1.382(3) . ?
C64 H64 0.9500 . ?
C65 H65 0.9500 . ?
C66 C67 1.522(3) . ?
C66 C68 1.545(3) . ?
C66 H66 1.0000 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C68 C70 1.519(3) . ?
C68 C69 1.530(3) . ?
C68 H68 1.0000 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
Li1 Li2 2.403(5) . ?
Li1 Li4 2.405(5) . ?
Li1 Li3 3.463(5) . ?
Li2 Li3 2.370(5) . ?
Li2 Li4 3.305(5) . ?
Li3 Li4 2.396(5) . ?
P5 N5 1.6266(17) . ?
P5 C71 1.684(2) . ?
P5 C77 1.833(2) . ?
P5 C83 1.834(2) . ?
P5 Li7 2.655(3) . ?
P5 Li8 2.694(4) . ?
P6 N6 1.6356(18) . ?
P6 C71 1.679(2) . ?
P6 C95 1.828(2) . ?
P6 C89 1.830(2) . ?
P6 Li5 2.657(4) . ?
P6 Li6 2.671(4) . ?
P7 N7 1.6236(17) . ?
P7 C106 1.681(2) . ?
P7 C118 1.832(2) . ?
P7 C112 1.835(2) . ?
P7 Li5 2.659(4) . ?
P7 Li8 2.675(4) . ?
P8 N8 1.6278(18) . ?
P8 C106 1.685(2) . ?
P8 C124 1.822(2) . ?
P8 C130 1.835(2) . ?
P8 Li7 2.645(4) . ?
P8 Li6 2.682(4) . ?
N5 C72 1.479(2) . ?
N5 Li7 2.040(4) . ?
N5 Li8 2.049(4) . ?
N6 C101 1.463(3) . ?
N6 Li5 2.046(4) . ?
N6 Li6 2.048(4) . ?
N7 C107 1.485(3) . ?
N7 Li5 2.045(4) . ?
N7 Li8 2.054(4) . ?
N8 C136 1.479(3) . ?
N8 Li6 2.034(4) . ?
N8 Li7 2.044(4) . ?
C71 Li5 2.356(4) . ?
C71 Li7 2.362(4) . ?
C71 Li6 2.424(4) . ?
C71 Li8 2.460(4) . ?
C72 C73 1.522(3) . ?
C72 C74 1.538(3) . ?
C72 H72 1.0000 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 C75 1.526(3) . ?
C74 C76 1.526(3) . ?
C74 H74 1.0000 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 C82 1.380(3) . ?
C77 C78 1.399(3) . ?
C78 C79 1.383(3) . ?
C78 H78 0.9500 . ?
C79 C80 1.372(3) . ?
C79 H79 0.9500 . ?
C80 C81 1.389(4) . ?
C80 H80 0.9500 . ?
C81 C82 1.385(3) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 C84 1.386(3) . ?
C83 C88 1.405(3) . ?
C84 C85 1.386(4) . ?
C84 H84 0.9500 . ?
C85 C86 1.379(5) . ?
C85 H85 0.9500 . ?
C86 C87 1.380(5) . ?
C86 H86 0.9500 . ?
C87 C88 1.372(4) . ?
C87 H87 0.9500 . ?
C88 H88 0.9500 . ?
C89 C90 1.394(3) . ?
C89 C94 1.397(3) . ?
C90 C91 1.393(3) . ?
C90 H90 0.9500 . ?
C91 C92 1.369(4) . ?
C91 H91 0.9500 . ?
C92 C93 1.366(4) . ?
C92 H92 0.9500 . ?
C93 C94 1.387(3) . ?
C93 H93 0.9500 . ?
C94 H94 0.9500 . ?
C95 C96 1.387(3) . ?
C95 C100 1.405(3) . ?
C96 C97 1.388(3) . ?
C96 H96 0.9500 . ?
C97 C98 1.385(4) . ?
C97 H97 0.9500 . ?
C98 C99 1.384(4) . ?
C98 H98 0.9500 . ?
C99 C100 1.383(3) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
C101 C102 1.518(3) . ?
C101 C103 1.553(3) . ?
C101 H101 1.0000 . ?
C102 H10A 0.9800 . ?
C102 H10B 0.9800 . ?
C102 H10C 0.9800 . ?
C103 C104 1.532(4) . ?
C103 C105 1.535(4) . ?
C103 H103 1.0000 . ?
C104 H10D 0.9800 . ?
C104 H10E 0.9800 . ?
C104 H10F 0.9800 . ?
C105 H10G 0.9800 . ?
C105 H10H 0.9800 . ?
C105 H10I 0.9800 . ?
C106 Li7 2.359(4) . ?
C106 Li5 2.363(4) . ?
C106 Li8 2.420(4) . ?
C106 Li6 2.441(4) . ?
C107 C108 1.528(3) . ?
C107 C109 1.545(3) . ?
C107 H107 1.0000 . ?
C108 H10J 0.9800 . ?
C108 H10K 0.9800 . ?
C108 H10L 0.9800 . ?
C109 C111 1.516(4) . ?
C109 C110 1.539(4) . ?
C109 H109 1.0000 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 C113 1.388(3) . ?
C112 C117 1.399(3) . ?
C113 C114 1.383(3) . ?
C113 H113 0.9500 . ?
C114 C115 1.375(4) . ?
C114 H114 0.9500 . ?
C115 C116 1.384(4) . ?
C115 H115 0.9500 . ?
C116 C117 1.378(3) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C119 1.386(3) . ?
C118 C123 1.390(3) . ?
C119 C120 1.398(3) . ?
C119 H119 0.9500 . ?
C120 C121 1.376(4) . ?
C120 H120 0.9500 . ?
C121 C122 1.393(4) . ?
C121 H121 0.9500 . ?
C122 C123 1.388(4) . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C124 C129 1.396(3) . ?
C124 C125 1.401(3) . ?
C125 C126 1.380(3) . ?
C125 H125 0.9500 . ?
C126 C127 1.396(4) . ?
C126 H126 0.9500 . ?
C127 C128 1.370(4) . ?
C127 H127 0.9500 . ?
C128 C129 1.389(3) . ?
C128 H128 0.9500 . ?
C129 H129 0.9500 . ?
C130 C135 1.392(3) . ?
C130 C131 1.397(3) . ?
C131 C132 1.405(3) . ?
C131 H131 0.9500 . ?
C132 C133 1.360(4) . ?
C132 H132 0.9500 . ?
C133 C134 1.404(4) . ?
C133 H133 0.9500 . ?
C134 C135 1.383(3) . ?
C134 H134 0.9500 . ?
C135 H135 0.9500 . ?
C136 C137 1.525(3) . ?
C136 C138 1.535(3) . ?
C136 H136 1.0000 . ?
C137 H13A 0.9800 . ?
C137 H13B 0.9800 . ?
C137 H13C 0.9800 . ?
C138 C140 1.514(5) . ?
C138 C139 1.563(4) . ?
C138 H138 1.0000 . ?
C139 H13D 0.9800 . ?
C139 H13E 0.9800 . ?
C139 H13F 0.9800 . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
Li5 Li6 2.389(5) . ?
Li5 Li8 2.396(5) . ?
Li5 Li7 3.280(5) . ?
Li6 Li7 2.397(5) . ?
Li6 Li8 3.496(5) . ?
Li7 Li8 2.404(5) . ?
O1 C143 1.397(4) . ?
O1 C142 1.426(4) . ?
C141 C142 1.528(9) . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C14B C142 1.26(3) . ?
C14B H14G 0.9800 . ?
C14B H14H 0.9800 . ?
C14B H14I 0.9800 . ?
C142 H14J 0.9900 . ?
C142 H14K 0.9900 . ?
C142 H14L 0.9900 . ?
C142 H14M 0.9900 . ?
C143 C144 1.511(6) . ?
C143 H14N 0.9900 . ?
C143 H14O 0.9900 . ?
C144 H14P 0.9800 . ?
C144 H14Q 0.9800 . ?
C144 H14R 0.9800 . ?
