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#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/86/7108603.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_7108603
loop_
_publ_author_name
'Hideaki Miyake'
'Takahiro Sasamori'
'Judy I-Chia Wu'
'Paul Schleyer'
'Norihiro Tokitoh'
_publ_section_title
;
 The 4,5,6-triphospha[3]radialene dianion: a phosphorus analogue of the
 deltate dianion. A NICS(0)?zz examination of their aromaticity
;
_journal_name_full               Chem.Commun.
_journal_page_first              11440
_journal_paper_doi               10.1039/c2cc35978b
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C57 H87 P3, 2(C12 H30 Li O6), C2 H5 O'
_chemical_formula_sum            'C83 H152 Li2 O13 P3'
_chemical_formula_weight         1464.84
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 91.852(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6530(13)
_cell_length_b                   29.020(2)
_cell_length_c                   25.145(3)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.91
_cell_volume                     9228.2(16)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics    'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material  'Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SIR2004
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1648
_diffrn_reflns_av_sigmaI/netI    0.0996
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            107878
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.91
_exptl_absorpt_coefficient_mu    0.117
_exptl_absorpt_correction_T_max  0.9988
_exptl_absorpt_correction_T_min  0.9769
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.054
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3220
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.515
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     950
_refine_ls_number_reflns         16949
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1796
_refine_ls_R_factor_gt           0.0868
_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)+(0.1048P)²+10.2386P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2096
_refine_ls_wR_factor_ref         0.2629
_reflns_number_gt                8027
_reflns_number_total             16949
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc35978b.txt
_cod_data_source_block           Dianion_7
_cod_original_cell_volume        9228.0(16)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      P21/c
_cod_database_code               7108603
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
C1 C 0.2622(4) 0.65866(18) 0.29726(18) 0.0524(12) Uani 1 1 d .
C2 C 0.3094(4) 0.68962(18) 0.26164(19) 0.0540(13) Uani 1 1 d .
C3 C 0.3487(4) 0.68682(18) 0.31450(18) 0.0531(13) Uani 1 1 d .
P1 P 0.16707(11) 0.61763(5) 0.30822(5) 0.0587(4) Uani 1 1 d .
P2 P 0.32716(11) 0.71565(5) 0.20031(5) 0.0565(4) Uani 1 1 d .
P3 P 0.43151(11) 0.70120(5) 0.36827(5) 0.0541(4) Uani 1 1 d .
C4 C 0.1967(4) 0.59815(18) 0.37911(19) 0.0544(13) Uani 1 1 d .
C5 C 0.1415(4) 0.61754(18) 0.42221(19) 0.0544(13) Uani 1 1 d .
C6 C 0.1432(4) 0.5938(2) 0.4714(2) 0.0611(14) Uani 1 1 d .
H6 H 0.1058 0.6069 0.4998 0.073 Uiso 1 1 calc R
C7 C 0.1961(4) 0.5527(2) 0.4803(2) 0.0600(14) Uani 1 1 d .
C8 C 0.2544(4) 0.53624(19) 0.4383(2) 0.0591(13) Uani 1 1 d .
H8 H 0.2938 0.5087 0.4436 0.071 Uiso 1 1 calc R
C9 C 0.2584(4) 0.55761(18) 0.38947(18) 0.0543(13) Uani 1 1 d .
C10 C 0.3339(4) 0.53519(19) 0.3490(2) 0.0643(14) Uani 1 1 d .
C11 C 0.4076(5) 0.4985(2) 0.3748(2) 0.0757(17) Uani 1 1 d .
H11 H 0.4578 0.4877 0.3486 0.114 Uiso 1 1 calc R
H11A H 0.3652 0.4724 0.3867 0.114 Uiso 1 1 calc R
H11B H 0.4464 0.5120 0.4053 0.114 Uiso 1 1 calc R
C12 C 0.2698(6) 0.5100(2) 0.3042(2) 0.0865(19) Uani 1 1 d .
H12 H 0.2301 0.5326 0.2827 0.130 Uiso 1 1 calc R
H12A H 0.2205 0.4883 0.3201 0.130 Uiso 1 1 calc R
H12B H 0.3183 0.4931 0.2817 0.130 Uiso 1 1 calc R
C13 C 0.4083(4) 0.57056(19) 0.3252(2) 0.0705(16) Uani 1 1 d .
H13 H 0.4600 0.5547 0.3035 0.106 Uiso 1 1 calc R
H13A H 0.4453 0.5875 0.3539 0.106 Uiso 1 1 calc R
H13B H 0.3673 0.5922 0.3028 0.106 Uiso 1 1 calc R
C14 C 0.0760(4) 0.66255(19) 0.42077(19) 0.0568(13) Uani 1 1 d .
C15 C 0.0497(4) 0.6803(2) 0.4764(2) 0.0664(15) Uani 1 1 d .
H15 H 0.0051 0.6578 0.4941 0.100 Uiso 1 1 calc R
H15A H 0.0118 0.7097 0.4730 0.100 Uiso 1 1 calc R
H15B H 0.1153 0.6849 0.4975 0.100 Uiso 1 1 calc R
C16 C -0.0305(4) 0.6545(2) 0.3902(2) 0.0715(16) Uani 1 1 d .
H16 H -0.0701 0.6302 0.4079 0.107 Uiso 1 1 calc R
H16A H -0.0170 0.6451 0.3536 0.107 Uiso 1 1 calc R
H16B H -0.0718 0.6831 0.3897 0.107 Uiso 1 1 calc R
C17 C 0.1337(4) 0.70343(18) 0.39451(19) 0.0593(13) Uani 1 1 d .
H17 H 0.0937 0.7319 0.3999 0.089 Uiso 1 1 calc R
H17A H 0.1391 0.6976 0.3563 0.089 Uiso 1 1 calc R
H17B H 0.2048 0.7066 0.4108 0.089 Uiso 1 1 calc R
C18 C 0.1959(5) 0.5268(2) 0.5336(2) 0.0682(15) Uani 1 1 d .
C19 C 0.1537(5) 0.4779(2) 0.5255(2) 0.0769(17) Uani 1 1 d .
H19 H 0.1936 0.4624 0.4980 0.115 Uiso 1 1 calc R
H19A H 0.0787 0.4791 0.5145 0.115 Uiso 1 1 calc R
H19B H 0.1615 0.4607 0.5590 0.115 Uiso 1 1 calc R
C20 C 0.1275(5) 0.5510(2) 0.5751(2) 0.0861(19) Uani 1 1 d .
H20 H 0.0547 0.5538 0.5609 0.129 Uiso 1 1 calc R
H20A H 0.1562 0.5818 0.5826 0.129 Uiso 1 1 calc R
H20B H 0.1283 0.5329 0.6079 0.129 Uiso 1 1 calc R
C21 C 0.3094(5) 0.5243(2) 0.5563(2) 0.0753(17) Uani 1 1 d .
H21 H 0.3099 0.5086 0.5909 0.113 Uiso 1 1 calc R
H21A H 0.3376 0.5555 0.5609 0.113 Uiso 1 1 calc R
H21B H 0.3533 0.5071 0.5318 0.113 Uiso 1 1 calc R
C22 C 0.2189(4) 0.69135(17) 0.15508(18) 0.0518(12) Uani 1 1 d .
C23 C 0.2409(4) 0.65435(18) 0.11930(18) 0.0537(13) Uani 1 1 d .
C24 C 0.1690(4) 0.64565(18) 0.07638(19) 0.0569(13) Uani 1 1 d .
H24 H 0.1848 0.6213 0.0526 0.068 Uiso 1 1 calc R
C25 C 0.0773(4) 0.67029(19) 0.06686(19) 0.0551(13) Uani 1 1 d .
C26 C 0.0536(4) 0.70382(19) 0.10344(19) 0.0588(13) Uani 1 1 d .
H26 H -0.0112 0.7201 0.0988 0.071 Uiso 1 1 calc R
C27 C 0.1206(4) 0.71511(18) 0.14755(18) 0.0551(13) Uani 1 1 d .
C28 C 0.0810(4) 0.75480(19) 0.1836(2) 0.0620(14) Uani 1 1 d .
C29 C 0.0821(4) 0.7410(2) 0.24282(19) 0.0685(15) Uani 1 1 d .
H29 H 0.1553 0.7375 0.2561 0.103 Uiso 1 1 calc R
H29A H 0.0445 0.7117 0.2467 0.103 Uiso 1 1 calc R
H29B H 0.0470 0.7649 0.2633 0.103 Uiso 1 1 calc R
C30 C -0.0360(5) 0.7673(2) 0.1707(2) 0.090(2) Uani 1 1 d .
H30 H -0.0581 0.7921 0.1943 0.135 Uiso 1 1 calc R
H30A H -0.0805 0.7401 0.1759 0.135 Uiso 1 1 calc R
H30B H -0.0435 0.7776 0.1336 0.135 Uiso 1 1 calc R
C31 C 0.1450(5) 0.7985(2) 0.1770(2) 0.0845(18) Uani 1 1 d .
H31 H 0.1145 0.8232 0.1982 0.127 Uiso 1 1 calc R
H31A H 0.1435 0.8074 0.1394 0.127 Uiso 1 1 calc R
H31B H 0.2182 0.7930 0.1893 0.127 Uiso 1 1 calc R
C32 C 0.3385(4) 0.62182(19) 0.12438(19) 0.0610(14) Uani 1 1 d .
C33 C 0.4392(4) 0.6466(2) 0.1068(2) 0.0727(16) Uani 1 1 d .
H33 H 0.4497 0.6748 0.1279 0.109 Uiso 1 1 calc R
H33A H 0.4317 0.6546 0.0690 0.109 Uiso 1 1 calc R
H33B H 0.5003 0.6263 0.1124 0.109 Uiso 1 1 calc R
C34 C 0.3577(4) 0.60327(19) 0.1812(2) 0.0646(14) Uani 1 1 d .
H34 H 0.3849 0.6281 0.2043 0.097 Uiso 1 1 calc R
H34A H 0.4093 0.5781 0.1807 0.097 Uiso 1 1 calc R
H34B H 0.2910 0.5918 0.1949 0.097 Uiso 1 1 calc R
C35 C 0.3260(5) 0.5789(2) 0.0885(2) 0.0782(17) Uani 1 1 d .
H35 H 0.3850 0.5577 0.0959 0.117 Uiso 1 1 calc R
H35A H 0.3259 0.5883 0.0511 0.117 Uiso 1 1 calc R
H35B H 0.2592 0.5634 0.0958 0.117 Uiso 1 1 calc R
C36 C 0.0056(4) 0.65967(19) 0.01834(19) 0.0606(14) Uani 1 1 d .
C37 C -0.0273(5) 0.6095(2) 0.0182(2) 0.0744(16) Uani 1 1 d .
H37 H 0.0358 0.5899 0.0186 0.112 Uiso 1 1 calc R
H37A H -0.0709 0.6030 -0.0138 0.112 Uiso 1 1 calc R
H37B H -0.0682 0.6031 0.0498 0.112 Uiso 1 1 calc R
C38 C 0.0678(5) 0.6705(2) -0.0323(2) 0.0737(16) Uani 1 1 d .
H38 H 0.1323 0.6519 -0.0323 0.111 Uiso 1 1 calc R
H38A H 0.0865 0.7033 -0.0326 0.111 Uiso 1 1 calc R
H38B H 0.0237 0.6633 -0.0640 0.111 Uiso 1 1 calc R
C39 C -0.0949(4) 0.6888(2) 0.0160(2) 0.0751(17) Uani 1 1 d .
H39 H -0.1386 0.6800 -0.0152 0.113 Uiso 1 1 calc R
H39A H -0.0759 0.7215 0.0135 0.113 Uiso 1 1 calc R
H39B H -0.1346 0.6837 0.0483 0.113 Uiso 1 1 calc R
C40 C 0.5199(4) 0.74788(17) 0.34307(17) 0.0509(12) Uani 1 1 d .
C41 C 0.6210(4) 0.73820(19) 0.32248(18) 0.0552(13) Uani 1 1 d .
C42 C 0.6918(4) 0.7742(2) 0.31427(18) 0.0568(13) Uani 1 1 d .
H42 H 0.7590 0.7670 0.3007 0.068 Uiso 1 1 calc R
C43 C 0.6695(4) 0.8194(2) 0.32470(18) 0.0583(14) Uani 1 1 d .
C44 C 0.5704(4) 0.82885(19) 0.34387(18) 0.0585(13) Uani 1 1 d .
H44 H 0.5529 0.8600 0.3513 0.070 Uiso 1 1 calc R
C45 C 0.4951(4) 0.79494(19) 0.35286(18) 0.0538(13) Uani 1 1 d .
C46 C 0.3881(4) 0.81318(18) 0.3741(2) 0.0589(13) Uani 1 1 d .
C47 C 0.2938(4) 0.79704(19) 0.3385(2) 0.0642(14) Uani 1 1 d .
H47 H 0.2283 0.8101 0.3517 0.096 Uiso 1 1 calc R
H47A H 0.2896 0.7633 0.3392 0.096 Uiso 1 1 calc R
H47B H 0.3036 0.8074 0.3019 0.096 Uiso 1 1 calc R
C48 C 0.3819(5) 0.8657(2) 0.3745(3) 0.0777(17) Uani 1 1 d .
H48 H 0.4387 0.8781 0.3978 0.117 Uiso 1 1 calc R
H48A H 0.3133 0.8753 0.3876 0.117 Uiso 1 1 calc R
H48B H 0.3899 0.8773 0.3383 0.117 Uiso 1 1 calc R
C49 C 0.3743(4) 0.7982(2) 0.4322(2) 0.0677(15) Uani 1 1 d .
H49 H 0.4340 0.8096 0.4543 0.102 Uiso 1 1 calc R
H49A H 0.3720 0.7645 0.4341 0.102 Uiso 1 1 calc R
H49B H 0.3083 0.8109 0.4452 0.102 Uiso 1 1 calc R
C50 C 0.6617(4) 0.68846(18) 0.30911(19) 0.0571(13) Uani 1 1 d .
C51 C 0.6820(4) 0.6614(2) 0.3610(2) 0.0665(15) Uani 1 1 d .
H51 H 0.7090 0.6307 0.3527 0.100 Uiso 1 1 calc R
H51A H 0.6157 0.6585 0.3799 0.100 Uiso 1 1 calc R
H51B H 0.7341 0.6779 0.3836 0.100 Uiso 1 1 calc R
C52 C 0.5850(4) 0.66173(18) 0.27195(19) 0.0589(13) Uani 1 1 d .
H52 H 0.6203 0.6341 0.2587 0.088 Uiso 1 1 calc R
H52A H 0.5631 0.6814 0.2418 0.088 Uiso 1 1 calc R
H52B H 0.5226 0.6526 0.2916 0.088 Uiso 1 1 calc R
C53 C 0.7674(4) 0.6890(2) 0.2807(2) 0.0663(15) Uani 1 1 d .
H53 H 0.8214 0.7040 0.3036 0.099 Uiso 1 1 calc R
H53A H 0.7591 0.7061 0.2472 0.099 Uiso 1 1 calc R
H53B H 0.7892 0.6573 0.2733 0.099 Uiso 1 1 calc R
C54 C 0.7483(5) 0.8594(2) 0.3171(2) 0.0703(16) Uani 1 1 d .
C55 C 0.8467(6) 0.8445(3) 0.2910(3) 0.116(3) Uani 1 1 d .
H55 H 0.8871 0.8238 0.3150 0.174 Uiso 1 1 calc R
H55A H 0.8897 0.8716 0.2831 0.174 Uiso 1 1 calc R
H55B H 0.8282 0.8282 0.2579 0.174 Uiso 1 1 calc R
C56 C 0.7764(5) 0.8817(2) 0.3707(2) 0.0842(18) Uani 1 1 d .
H56 H 0.7123 0.8943 0.3860 0.126 Uiso 1 1 calc R
H56A H 0.8274 0.9066 0.3656 0.126 Uiso 1 1 calc R
H56B H 0.8075 0.8585 0.3948 0.126 Uiso 1 1 calc R
C57 C 0.6948(6) 0.8967(2) 0.2812(3) 0.096(2) Uani 1 1 d .
H57 H 0.6734 0.8831 0.2469 0.144 Uiso 1 1 calc R
H57A H 0.7448 0.9219 0.2755 0.144 Uiso 1 1 calc R
H57B H 0.6323 0.9088 0.2986 0.144 Uiso 1 1 calc R
Li1 Li 0.1360(9) 1.0128(4) 0.3050(4) 0.080(3) Uani 1 1 d .
C58 C 0.1312(6) 0.9926(3) 0.4276(3) 0.101(2) Uani 1 1 d .
H58 H 0.0554 0.9950 0.4342 0.152 Uiso 1 1 calc R
H58A H 0.1634 1.0233 0.4300 0.152 Uiso 1 1 calc R
H58B H 0.1649 0.9723 0.4543 0.152 Uiso 1 1 calc R
O1 O 0.1454(3) 0.97408(15) 0.37580(16) 0.0806(12) Uani 1 1 d .
C59 C 0.1043(5) 0.9289(2) 0.3704(3) 0.0805(18) Uani 1 1 d .
H59 H 0.0269 0.9292 0.3750 0.097 Uiso 1 1 calc R
H59A H 0.1370 0.9085 0.3978 0.097 Uiso 1 1 calc R
C60 C 0.1287(5) 0.9116(2) 0.3158(3) 0.0852(19) Uani 1 1 d .
H60 H 0.2061 0.9099 0.3115 0.102 Uiso 1 1 calc R
H60A H 0.0982 0.8805 0.3100 0.102 Uiso 1 1 calc R
O2 O 0.0819(3) 0.94390(14) 0.27873(16) 0.0808(11) Uani 1 1 d .
C61 C 0.0813(6) 0.9270(2) 0.2250(3) 0.103(2) Uani 1 1 d .
H61 H 0.1537 0.9195 0.2153 0.155 Uiso 1 1 calc R
H61A H 0.0523 0.9506 0.2009 0.155 Uiso 1 1 calc R
H61B H 0.0374 0.8992 0.2223 0.155 Uiso 1 1 calc R
C62 C -0.1071(5) 1.0065(2) 0.3162(2) 0.0819(18) Uani 1 1 d .
H62 H -0.1159 1.0030 0.3546 0.123 Uiso 1 1 calc R
H62A H -0.0967 0.9762 0.3001 0.123 Uiso 1 1 calc R
H62B H -0.1705 1.0210 0.3001 0.123 Uiso 1 1 calc R
O3 O -0.0177(3) 1.03470(14) 0.30721(14) 0.0711(10) Uani 1 1 d .
C63 C -0.0324(5) 1.0797(2) 0.3284(2) 0.0751(17) Uani 1 1 d .
H63 H -0.0496 1.0777 0.3664 0.090 Uiso 1 1 calc R
H63A H -0.0915 1.0954 0.3090 0.090 Uiso 1 1 calc R
C64 C 0.0682(5) 1.1062(2) 0.3222(2) 0.0793(18) Uani 1 1 d .
H64 H 0.0805 1.1119 0.2841 0.095 Uiso 1 1 calc R
H64A H 0.0639 1.1364 0.3406 0.095 Uiso 1 1 calc R
O4 O 0.1528(3) 1.07916(14) 0.34540(16) 0.0805(11) Uani 1 1 d .
C65 C 0.2481(6) 1.1049(2) 0.3508(3) 0.092(2) Uani 1 1 d .
H65 H 0.2690 1.1155 0.3157 0.138 Uiso 1 1 calc R
H65A H 0.3039 1.0853 0.3665 0.138 Uiso 1 1 calc R
H65B H 0.2370 1.1315 0.3739 0.138 Uiso 1 1 calc R
C66 C 0.3864(6) 0.9881(3) 0.3417(3) 0.109(2) Uani 1 1 d .
H66 H 0.4359 0.9645 0.3301 0.163 Uiso 1 1 calc R
H66A H 0.3493 0.9770 0.3728 0.163 Uiso 1 1 calc R
H66B H 0.4255 1.0163 0.3511 0.163 Uiso 1 1 calc R
O5 O 0.3091(4) 0.99811(16) 0.29834(19) 0.0974(15) Uani 1 1 d .
C67 C 0.3513(8) 1.0205(3) 0.2560(4) 0.120(3) Uani 1 1 d .
H67 H 0.4142 1.0035 0.2442 0.144 Uiso 1 1 calc R
H67A H 0.3743 1.0518 0.2671 0.144 Uiso 1 1 calc R
C68 C 0.2765(6) 1.0239(3) 0.2135(3) 0.095(2) Uani 1 1 d .
H68 H 0.2671 0.9933 0.1966 0.115 Uiso 1 1 calc R
H68A H 0.3030 1.0454 0.1864 0.115 Uiso 1 1 calc R
O6 O 0.1762(5) 1.04007(18) 0.2314(2) 0.1154(18) Uani 1 1 d .
C69 C 0.0966(7) 1.0522(3) 0.1921(3) 0.129(3) Uani 1 1 d .
H69 H 0.1283 1.0708 0.1642 0.193 Uiso 1 1 calc R
H69A H 0.0409 1.0701 0.2089 0.193 Uiso 1 1 calc R
H69B H 0.0660 1.0242 0.1764 0.193 Uiso 1 1 calc R
C70 C 0.2335(5) 0.3824(2) 0.3715(2) 0.0741(16) Uani 1 1 d .
H70 H 0.1815 0.3641 0.3509 0.111 Uiso 1 1 calc R
H70A H 0.2898 0.3924 0.3483 0.111 Uiso 1 1 calc R
H70B H 0.1988 0.4094 0.3864 0.111 Uiso 1 1 calc R
O7 O 0.2772(3) 0.35538(15) 0.41315(15) 0.0823(11) Uani 1 1 d U
C71 C 0.2046(4) 0.3411(2) 0.4505(2) 0.0718(14) Uani 1 1 d U
H71 H 0.1472 0.3235 0.4322 0.086 Uiso 1 1 calc R
H71A H 0.1728 0.3686 0.4670 0.086 Uiso 1 1 calc R
C72 C 0.2530(6) 0.3131(3) 0.4910(3) 0.109(2) Uani 1 1 d U
H72 H 0.2619 0.3325 0.5232 0.131 Uiso 1 1 calc R
H72A H 0.2021 0.2885 0.4994 0.131 Uiso 1 1 calc R
O8 O 0.3430(3) 0.29352(14) 0.48308(14) 0.0724(10) Uani 1 1 d U
C73 C 0.3839(4) 0.2614(2) 0.5215(2) 0.0677(15) Uani 1 1 d .
H73 H 0.3332 0.2575 0.5498 0.102 Uiso 1 1 calc R
H73A H 0.4510 0.2729 0.5368 0.102 Uiso 1 1 calc R
H73B H 0.3956 0.2316 0.5042 0.102 Uiso 1 1 calc R
Li2 Li 0.4354(7) 0.3243(3) 0.4225(3) 0.063(2) Uani 1 1 d .
C74 C 0.4296(5) 0.4182(2) 0.4940(2) 0.0718(16) Uani 1 1 d .
H74 H 0.3978 0.4061 0.5262 0.108 Uiso 1 1 calc R
H74A H 0.3735 0.4273 0.4683 0.108 Uiso 1 1 calc R
H74B H 0.4734 0.4451 0.5032 0.108 Uiso 1 1 calc R
O9 O 0.4937(3) 0.38337(12) 0.47111(12) 0.0596(9) Uani 1 1 d .
C75 C 0.5689(4) 0.36615(18) 0.50998(19) 0.0591(14) Uani 1 1 d .
H75 H 0.5319 0.3500 0.5386 0.071 Uiso 1 1 calc R
H75A H 0.6099 0.3920 0.5260 0.071 Uiso 1 1 calc R
C76 C 0.6413(4) 0.33367(19) 0.4832(2) 0.0605(14) Uani 1 1 d .
H76 H 0.6875 0.3508 0.4591 0.073 Uiso 1 1 calc R
H76A H 0.6867 0.3175 0.5101 0.073 Uiso 1 1 calc R
O10 O 0.5785(3) 0.30102(12) 0.45361(13) 0.0595(9) Uani 1 1 d .
C77 C 0.6430(4) 0.2657(2) 0.4320(2) 0.0705(16) Uani 1 1 d .
H77 H 0.6991 0.2798 0.4115 0.106 Uiso 1 1 calc R
H77A H 0.5995 0.2458 0.4087 0.106 Uiso 1 1 calc R
H77B H 0.6748 0.2473 0.4611 0.106 Uiso 1 1 calc R
C78 C 0.5601(5) 0.3881(2) 0.3460(2) 0.0742(16) Uani 1 1 d .
H78 H 0.6297 0.3738 0.3521 0.111 Uiso 1 1 calc R
H78A H 0.5486 0.4113 0.3736 0.111 Uiso 1 1 calc R
H78B H 0.5570 0.4028 0.3110 0.111 Uiso 1 1 calc R
O11 O 0.4813(3) 0.35407(13) 0.34816(12) 0.0626(9) Uani 1 1 d .
C79 C 0.4984(5) 0.3176(2) 0.3118(2) 0.0685(16) Uani 1 1 d .
H79 H 0.5675 0.3028 0.3201 0.082 Uiso 1 1 calc R
H79A H 0.4994 0.3298 0.2751 0.082 Uiso 1 1 calc R
C80 C 0.4127(5) 0.2833(2) 0.3160(2) 0.0704(16) Uani 1 1 d .
H80 H 0.3440 0.2972 0.3048 0.085 Uiso 1 1 calc R
H80A H 0.4261 0.2565 0.2928 0.085 Uiso 1 1 calc R
O12 O 0.4104(3) 0.26895(13) 0.37057(13) 0.0661(10) Uani 1 1 d .
C81 C 0.3406(5) 0.2312(2) 0.3765(2) 0.0748(16) Uani 1 1 d .
H81 H 0.2681 0.2410 0.3674 0.112 Uiso 1 1 calc R
H81A H 0.3446 0.2204 0.4135 0.112 Uiso 1 1 calc R
H81B H 0.3609 0.2061 0.3528 0.112 Uiso 1 1 calc R
C82 C 0.6329(11) 0.5919(5) -0.0005(5) 0.194(6) Uani 1 1 d .
H82 H 0.6262 0.5976 0.0376 0.291 Uiso 1 1 calc R
H82A H 0.6221 0.6208 -0.0202 0.291 Uiso 1 1 calc R
H82B H 0.7037 0.5799 -0.0071 0.291 Uiso 1 1 calc R
O13 O 0.5411(12) 0.5531(9) -0.0212(5) 0.370(13) Uani 1 1 d .
C83 C 0.5567(12) 0.5207(8) 0.0136(5) 0.278(17) Uani 1 1 d .
H83 H 0.5449 0.5312 0.0504 0.334 Uiso 1 1 calc R
H83A H 0.6277 0.5066 0.0115 0.334 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
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'
C C 0.0033 0.0016 '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
C2 C1 C3 59.4(3) . .
C2 C1 P1 148.5(4) . .
C3 C1 P1 152.1(4) . .
C3 C2 C1 60.6(3) . .
C3 C2 P2 144.2(4) . .
C1 C2 P2 155.1(4) . .
C2 C3 C1 60.0(3) . .
C2 C3 P3 155.4(4) . .
C1 C3 P3 144.6(4) . .
C1 P1 C4 103.8(2) . .
C2 P2 C22 105.1(2) . .
C3 P3 C40 105.2(2) . .
C5 C4 C9 117.7(4) . .
C5 C4 P1 120.7(4) . .
C9 C4 P1 120.4(4) . .
C6 C5 C4 118.6(5) . .
C6 C5 C14 115.1(4) . .
C4 C5 C14 126.3(4) . .
C7 C6 C5 123.8(5) . .
C7 C6 H6 118.1 . .
C5 C6 H6 118.1 . .
C6 C7 C8 115.9(5) . .
C6 C7 C18 123.4(5) . .
C8 C7 C18 120.7(5) . .
C9 C8 C7 123.9(5) . .
C9 C8 H8 118.0 . .
C7 C8 H8 118.0 . .
C8 C9 C4 119.8(5) . .
C8 C9 C10 115.8(5) . .
C4 C9 C10 124.5(4) . .
C13 C10 C11 104.9(5) . .
C13 C10 C12 110.3(5) . .
C11 C10 C12 105.9(5) . .
C13 C10 C9 111.9(4) . .
C11 C10 C9 112.8(4) . .
C12 C10 C9 110.7(5) . .
C10 C11 H11 109.5 . .
C10 C11 H11A 109.5 . .
H11 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C12 H12 109.5 . .
C10 C12 H12A 109.5 . .
H12 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C13 H13 109.5 . .
C10 C13 H13A 109.5 . .
H13 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C15 C14 C5 113.2(4) . .
C15 C14 C16 107.0(4) . .
C5 C14 C16 109.9(4) . .
C15 C14 C17 104.4(4) . .
C5 C14 C17 113.4(4) . .
C16 C14 C17 108.6(4) . .
C14 C15 H15 109.5 . .
C14 C15 H15A 109.5 . .
H15 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C16 H16 109.5 . .
C14 C16 H16A 109.5 . .
H16 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C17 H17 109.5 . .
C14 C17 H17A 109.5 . .
H17 C17 H17A 109.5 . .
C14 C17 H17B 109.5 . .
H17 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C19 C18 C21 108.9(5) . .
C19 C18 C7 110.4(5) . .
C21 C18 C7 108.8(4) . .
C19 C18 C20 108.1(5) . .
C21 C18 C20 108.0(5) . .
C7 C18 C20 112.5(5) . .
C18 C19 H19 109.5 . .
C18 C19 H19A 109.5 . .
H19 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C20 H20 109.5 . .
C18 C20 H20A 109.5 . .
H20 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C21 H21 109.5 . .
C18 C21 H21A 109.5 . .
H21 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C27 C22 C23 117.6(4) . .
C27 C22 P2 120.7(4) . .
C23 C22 P2 120.4(4) . .
C24 C23 C22 118.7(4) . .
C24 C23 C32 116.4(4) . .
C22 C23 C32 124.9(4) . .
C25 C24 C23 124.0(5) . .
C25 C24 H24 118.0 . .
C23 C24 H24 118.0 . .
C24 C25 C26 116.8(5) . .
C24 C25 C36 120.6(5) . .
C26 C25 C36 122.6(5) . .
C25 C26 C27 123.3(5) . .
C25 C26 H26 118.4 . .
C27 C26 H26 118.4 . .
C26 C27 C22 119.3(5) . .
C26 C27 C28 115.6(4) . .
C22 C27 C28 125.0(4) . .
C31 C28 C29 109.6(5) . .
C31 C28 C30 107.0(5) . .
C29 C28 C30 104.0(4) . .
C31 C28 C27 111.8(4) . .
C29 C28 C27 112.1(4) . .
C30 C28 C27 111.9(4) . .
C28 C29 H29 109.5 . .
C28 C29 H29A 109.5 . .
H29 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C30 H30 109.5 . .
C28 C30 H30A 109.5 . .
H30 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C31 H31 109.5 . .
C28 C31 H31A 109.5 . .
H31 C31 H31A 109.5 . .
C28 C31 H31B 109.5 . .
H31 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C34 C32 C33 108.8(4) . .
C34 C32 C35 105.7(5) . .
C33 C32 C35 106.3(4) . .
C34 C32 C23 112.9(4) . .
C33 C32 C23 110.8(4) . .
C35 C32 C23 112.1(4) . .
C32 C33 H33 109.5 . .
C32 C33 H33A 109.5 . .
H33 C33 H33A 109.5 . .
C32 C33 H33B 109.5 . .
H33 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C32 C34 H34 109.5 . .
C32 C34 H34A 109.5 . .
H34 C34 H34A 109.5 . .
C32 C34 H34B 109.5 . .
H34 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C32 C35 H35 109.5 . .
C32 C35 H35A 109.5 . .
H35 C35 H35A 109.5 . .
C32 C35 H35B 109.5 . .
H35 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C37 C36 C39 107.7(5) . .
C37 C36 C25 110.6(4) . .
C39 C36 C25 113.0(4) . .
C37 C36 C38 109.9(5) . .
C39 C36 C38 107.5(4) . .
C25 C36 C38 108.1(4) . .
C36 C37 H37 109.5 . .
C36 C37 H37A 109.5 . .
H37 C37 H37A 109.5 . .
C36 C37 H37B 109.5 . .
H37 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C36 C38 H38 109.5 . .
C36 C38 H38A 109.5 . .
H38 C38 H38A 109.5 . .
C36 C38 H38B 109.5 . .
H38 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C36 C39 H39 109.5 . .
C36 C39 H39A 109.5 . .
H39 C39 H39A 109.5 . .
C36 C39 H39B 109.5 . .
H39 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C41 C40 C45 117.3(5) . .
C41 C40 P3 122.1(4) . .
C45 C40 P3 119.7(4) . .
C42 C41 C40 119.6(5) . .
C42 C41 C50 116.1(5) . .
C40 C41 C50 124.3(5) . .
C43 C42 C41 123.5(5) . .
C43 C42 H42 118.3 . .
C41 C42 H42 118.3 . .
C42 C43 C44 116.8(5) . .
C42 C43 C54 123.9(5) . .
C44 C43 C54 119.2(5) . .
C43 C44 C45 123.2(5) . .
C43 C44 H44 118.4 . .
C45 C44 H44 118.4 . .
C44 C45 C40 119.5(5) . .
C44 C45 C46 114.9(5) . .
C40 C45 C46 125.6(5) . .
C48 C46 C49 105.6(4) . .
C48 C46 C47 105.5(4) . .
C49 C46 C47 110.9(4) . .
C48 C46 C45 112.7(5) . .
C49 C46 C45 110.8(4) . .
C47 C46 C45 111.1(4) . .
C46 C47 H47 109.5 . .
C46 C47 H47A 109.5 . .
H47 C47 H47A 109.5 . .
C46 C47 H47B 109.5 . .
H47 C47 H47B 109.5 . .
H47A C47 H47B 109.5 . .
C46 C48 H48 109.5 . .
C46 C48 H48A 109.5 . .
H48 C48 H48A 109.5 . .
C46 C48 H48B 109.5 . .
H48 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C46 C49 H49 109.5 . .
C46 C49 H49A 109.5 . .
H49 C49 H49A 109.5 . .
C46 C49 H49B 109.5 . .
H49 C49 H49B 109.5 . .
H49A C49 H49B 109.5 . .
C52 C50 C53 105.4(4) . .
C52 C50 C51 110.1(4) . .
C53 C50 C51 106.0(4) . .
C52 C50 C41 112.9(4) . .
C53 C50 C41 112.7(4) . .
C51 C50 C41 109.5(4) . .
C50 C51 H51 109.5 . .
C50 C51 H51A 109.5 . .
H51 C51 H51A 109.5 . .
C50 C51 H51B 109.5 . .
H51 C51 H51B 109.5 . .
H51A C51 H51B 109.5 . .
C50 C52 H52 109.5 . .
C50 C52 H52A 109.5 . .
H52 C52 H52A 109.5 . .
C50 C52 H52B 109.5 . .
H52 C52 H52B 109.5 . .
H52A C52 H52B 109.5 . .
C50 C53 H53 109.5 . .
C50 C53 H53A 109.5 . .
H53 C53 H53A 109.5 . .
C50 C53 H53B 109.5 . .
H53 C53 H53B 109.5 . .
H53A C53 H53B 109.5 . .
C55 C54 C56 109.7(5) . .
C55 C54 C43 112.8(5) . .
C56 C54 C43 110.0(4) . .
C55 C54 C57 107.6(6) . .
C56 C54 C57 107.6(5) . .
C43 C54 C57 109.0(5) . .
C54 C55 H55 109.5 . .
C54 C55 H55A 109.5 . .
H55 C55 H55A 109.5 . .
C54 C55 H55B 109.5 . .
H55 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C54 C56 H56 109.5 . .
C54 C56 H56A 109.5 . .
H56 C56 H56A 109.5 . .
C54 C56 H56B 109.5 . .
H56 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C54 C57 H57 109.5 . .
C54 C57 H57A 109.5 . .
H57 C57 H57A 109.5 . .
C54 C57 H57B 109.5 . .
H57 C57 H57B 109.5 . .
H57A C57 H57B 109.5 . .
O3 Li1 O6 99.5(5) . .
O3 Li1 O1 99.8(4) . .
O6 Li1 O1 160.4(6) . .
O3 Li1 O4 78.0(4) . .
O6 Li1 O4 93.1(4) . .
O1 Li1 O4 94.3(4) . .
O3 Li1 O2 90.2(5) . .
O6 Li1 O2 99.2(5) . .
O1 Li1 O2 77.2(4) . .
O4 Li1 O2 164.2(5) . .
O3 Li1 O5 172.4(6) . .
O6 Li1 O5 74.9(4) . .
O1 Li1 O5 86.2(4) . .
O4 Li1 O5 97.0(5) . .
O2 Li1 O5 95.8(4) . .
O1 C58 H58 109.5 . .
O1 C58 H58A 109.5 . .
H58 C58 H58A 109.5 . .
O1 C58 H58B 109.5 . .
H58 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C59 O1 C58 112.3(5) . .
C59 O1 Li1 113.7(5) . .
C58 O1 Li1 124.5(5) . .
O1 C59 C60 108.2(5) . .
O1 C59 H59 110.1 . .
C60 C59 H59 110.1 . .
O1 C59 H59A 110.1 . .
C60 C59 H59A 110.1 . .
H59 C59 H59A 108.4 . .
O2 C60 C59 106.4(5) . .
O2 C60 H60 110.5 . .
C59 C60 H60 110.5 . .
O2 C60 H60A 110.5 . .
C59 C60 H60A 110.5 . .
H60 C60 H60A 108.6 . .
C60 O2 C61 112.1(5) . .
C60 O2 Li1 106.2(5) . .
C61 O2 Li1 125.7(5) . .
O2 C61 H61 109.5 . .
O2 C61 H61A 109.5 . .
H61 C61 H61A 109.5 . .
O2 C61 H61B 109.5 . .
H61 C61 H61B 109.5 . .
H61A C61 H61B 109.5 . .
O3 C62 H62 109.5 . .
O3 C62 H62A 109.5 . .
H62 C62 H62A 109.5 . .
O3 C62 H62B 109.5 . .
H62 C62 H62B 109.5 . .
H62A C62 H62B 109.5 . .
C62 O3 C63 110.8(4) . .
C62 O3 Li1 126.0(4) . .
C63 O3 Li1 115.5(5) . .
O3 C63 C64 108.1(5) . .
O3 C63 H63 110.1 . .
C64 C63 H63 110.1 . .
O3 C63 H63A 110.1 . .
C64 C63 H63A 110.1 . .
H63 C63 H63A 108.4 . .
O4 C64 C63 107.5(5) . .
O4 C64 H64 110.2 . .
C63 C64 H64 110.2 . .
O4 C64 H64A 110.2 . .
C63 C64 H64A 110.2 . .
H64 C64 H64A 108.5 . .
C65 O4 C64 111.7(5) . .
C65 O4 Li1 125.2(4) . .
C64 O4 Li1 103.5(4) . .
O4 C65 H65 109.5 . .
O4 C65 H65A 109.5 . .
H65 C65 H65A 109.5 . .
O4 C65 H65B 109.5 . .
H65 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
O5 C66 H66 109.5 . .
O5 C66 H66A 109.5 . .
H66 C66 H66A 109.5 . .
O5 C66 H66B 109.5 . .
H66 C66 H66B 109.5 . .
H66A C66 H66B 109.5 . .
C67 O5 C66 113.8(6) . .
C67 O5 Li1 112.0(6) . .
C66 O5 Li1 127.6(5) . .
O5 C67 C68 110.7(7) . .
O5 C67 H67 109.5 . .
C68 C67 H67 109.5 . .
O5 C67 H67A 109.5 . .
C68 C67 H67A 109.5 . .
H67 C67 H67A 108.1 . .
C67 C68 O6 111.3(6) . .
C67 C68 H68 109.4 . .
O6 C68 H68 109.4 . .
C67 C68 H68A 109.4 . .
O6 C68 H68A 109.4 . .
H68 C68 H68A 108.0 . .
C69 O6 C68 118.2(5) . .
C69 O6 Li1 121.2(6) . .
C68 O6 Li1 113.3(5) . .
O6 C69 H69 109.5 . .
O6 C69 H69A 109.5 . .
H69 C69 H69A 109.5 . .
O6 C69 H69B 109.5 . .
H69 C69 H69B 109.5 . .
H69A C69 H69B 109.5 . .
O7 C70 H70 109.5 . .
O7 C70 H70A 109.5 . .
H70 C70 H70A 109.5 . .
O7 C70 H70B 109.5 . .
H70 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C71 O7 C70 114.4(4) . .
C71 O7 Li2 115.0(4) . .
C70 O7 Li2 130.0(4) . .
O7 C71 C72 111.8(5) . .
O7 C71 H71 109.2 . .
C72 C71 H71 109.3 . .
O7 C71 H71A 109.2 . .
C72 C71 H71A 109.2 . .
H71 C71 H71A 107.9 . .
O8 C72 C71 120.1(6) . .
O8 C72 H72 107.3 . .
C71 C72 H72 107.3 . .
O8 C72 H72A 107.3 . .
C71 C72 H72A 107.3 . .
H72 C72 H72A 106.9 . .
C72 O8 C73 119.1(4) . .
C72 O8 Li2 115.3(4) . .
C73 O8 Li2 123.9(4) . .
O8 C73 H73 109.5 . .
O8 C73 H73A 109.5 . .
H73 C73 H73A 109.5 . .
O8 C73 H73B 109.5 . .
H73 C73 H73B 109.5 . .
H73A C73 H73B 109.5 . .
O10 Li2 O12 95.6(4) . .
O10 Li2 O8 95.0(4) . .
O12 Li2 O8 92.7(4) . .
O10 Li2 O11 101.6(4) . .
O12 Li2 O11 78.8(3) . .
O8 Li2 O11 162.0(5) . .
O10 Li2 O7 163.5(5) . .
O12 Li2 O7 97.4(4) . .
O8 Li2 O7 74.5(3) . .
O11 Li2 O7 90.7(4) . .
O10 Li2 O9 76.8(3) . .
O12 Li2 O9 168.6(5) . .
O8 Li2 O9 96.3(3) . .
O11 Li2 O9 94.3(4) . .
O7 Li2 O9 91.6(4) . .
O9 C74 H74 109.5 . .
O9 C74 H74A 109.5 . .
H74 C74 H74A 109.5 . .
O9 C74 H74B 109.5 . .
H74 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C74 O9 C75 110.2(4) . .
C74 O9 Li2 125.8(4) . .
C75 O9 Li2 108.0(4) . .
O9 C75 C76 108.5(4) . .
O9 C75 H75 110.0 . .
C76 C75 H75 110.0 . .
O9 C75 H75A 110.0 . .
C76 C75 H75A 110.0 . .
H75 C75 H75A 108.4 . .
O10 C76 C75 108.3(4) . .
O10 C76 H76 110.0 . .
C75 C76 H76 110.0 . .
O10 C76 H76A 110.0 . .
C75 C76 H76A 110.0 . .
H76 C76 H76A 108.4 . .
C77 O10 C76 111.0(4) . .
C77 O10 Li2 126.6(4) . .
C76 O10 Li2 116.5(4) . .
O10 C77 H77 109.5 . .
O10 C77 H77A 109.5 . .
H77 C77 H77A 109.5 . .
O10 C77 H77B 109.5 . .
H77 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
O11 C78 H78 109.5 . .
O11 C78 H78A 109.5 . .
H78 C78 H78A 109.5 . .
O11 C78 H78B 109.5 . .
H78 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C78 O11 C79 112.1(4) . .
C78 O11 Li2 121.7(4) . .
C79 O11 Li2 108.1(4) . .
O11 C79 C80 109.2(4) . .
O11 C79 H79 109.8 . .
C80 C79 H79 109.8 . .
O11 C79 H79A 109.8 . .
C80 C79 H79A 109.8 . .
H79 C79 H79A 108.3 . .
O12 C80 C79 107.5(4) . .
O12 C80 H80 110.2 . .
C79 C80 H80 110.2 . .
O12 C80 H80A 110.2 . .
C79 C80 H80A 110.2 . .
H80 C80 H80A 108.5 . .
C81 O12 C80 110.9(4) . .
C81 O12 Li2 127.6(4) . .
C80 O12 Li2 111.5(4) . .
O12 C81 H81 109.5 . .
O12 C81 H81A 109.5 . .
H81 C81 H81A 109.5 . .
O12 C81 H81B 109.5 . .
H81 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
O13 C82 H82 109.5 . .
O13 C82 H82A 109.5 . .
H82 C82 H82A 109.5 . .
O13 C82 H82B 109.5 . .
H82 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C83 O13 C82 100.9(17) . .
O13 C83 C83 96.5(16) . 3_665
O13 C83 H83 112.5 . .
C83 C83 H83 112.5 3_665 .
O13 C83 H83A 112.5 . .
C83 C83 H83A 112.5 3_665 .
H83 C83 H83A 110.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.414(7) .
C1 C3 1.423(7) .
C1 P1 1.721(5) .
C2 C3 1.406(6) .
C2 P2 1.738(5) .
C3 P3 1.734(5) .
P1 C4 1.896(5) .
P2 C22 1.888(5) .
P3 C40 1.880(5) .
C4 C5 1.424(7) .
C4 C9 1.432(7) .
C5 C6 1.414(7) .
C5 C14 1.547(7) .
C6 C7 1.384(7) .
C6 H6 0.9500 .
C7 C8 1.393(7) .
C7 C18 1.534(7) .
C8 C9 1.378(7) .
C8 H8 0.9500 .
C9 C10 1.561(7) .
C10 C13 1.528(7) .
C10 C11 1.545(8) .
C10 C12 1.549(8) .
C11 H11 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C12 H12 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C13 H13 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C14 C15 1.537(7) .
C14 C16 1.547(7) .
C14 C17 1.552(7) .
C15 H15 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C16 H16 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C17 H17 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C18 C19 1.530(8) .
C18 C21 1.530(8) .
C18 C20 1.546(8) .
C19 H19 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C20 H20 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C21 H21 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C22 C27 1.429(7) .
C22 C23 1.434(7) .
C23 C24 1.412(7) .
C23 C32 1.556(7) .
C24 C25 1.377(7) .
C24 H24 0.9500 .
C25 C26 1.379(7) .
C25 C36 1.528(7) .
C26 C27 1.413(7) .
C26 H26 0.9500 .
C27 C28 1.559(7) .
C28 C31 1.515(8) .
C28 C29 1.541(7) .
C28 C30 1.549(8) .
C29 H29 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C30 H30 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 H31 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C32 C34 1.540(7) .
C32 C33 1.540(8) .
C32 C35 1.544(8) .
C33 H33 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C34 H34 0.9800 .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C35 H35 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C36 C37 1.515(8) .
C36 C39 1.527(7) .
C36 C38 1.550(7) .
C37 H37 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C38 H38 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C39 H39 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C40 C41 1.423(7) .
C40 C45 1.425(7) .
C41 C42 1.397(7) .
C41 C50 1.573(7) .
C42 C43 1.367(7) .
C42 H42 0.9500 .
C43 C44 1.386(7) .
C43 C54 1.546(8) .
C44 C45 1.394(7) .
C44 H44 0.9500 .
C45 C46 1.563(7) .
C46 C48 1.525(7) .
C46 C49 1.540(7) .
C46 C47 1.542(7) .
C47 H47 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C48 H48 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C49 H49 0.9800 .
C49 H49A 0.9800 .
C49 H49B 0.9800 .
C50 C52 1.536(7) .
C50 C53 1.536(7) .
C50 C51 1.537(7) .
C51 H51 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C52 H52 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C53 H53 0.9800 .
C53 H53A 0.9800 .
C53 H53B 0.9800 .
C54 C55 1.490(9) .
C54 C56 1.525(8) .
C54 C57 1.553(9) .
C55 H55 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C56 H56 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C57 H57 0.9800 .
C57 H57A 0.9800 .
C57 H57B 0.9800 .
Li1 O3 2.050(11) .
Li1 O6 2.091(10) .
Li1 O1 2.105(10) .
Li1 O4 2.185(11) .
Li1 O2 2.207(12) .
Li1 O5 2.242(12) .
C58 O1 1.426(7) .
C58 H58 0.9800 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
O1 C59 1.415(7) .
C59 C60 1.503(9) .
C59 H59 0.9900 .
C59 H59A 0.9900 .
C60 O2 1.436(7) .
C60 H60 0.9900 .
C60 H60A 0.9900 .
O2 C61 1.436(7) .
C61 H61 0.9800 .
C61 H61A 0.9800 .
C61 H61B 0.9800 .
C62 O3 1.419(7) .
C62 H62 0.9800 .
C62 H62A 0.9800 .
C62 H62B 0.9800 .
O3 C63 1.425(6) .
C63 C64 1.500(8) .
C63 H63 0.9900 .
C63 H63A 0.9900 .
C64 O4 1.436(7) .
C64 H64 0.9900 .
C64 H64A 0.9900 .
O4 C65 1.420(7) .
C65 H65 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C66 O5 1.470(8) .
C66 H66 0.9800 .
C66 H66A 0.9800 .
C66 H66B 0.9800 .
O5 C67 1.371(8) .
C67 C68 1.409(10) .
C67 H67 0.9900 .
C67 H67A 0.9900 .
C68 O6 1.439(8) .
C68 H68 0.9900 .
C68 H68A 0.9900 .
O6 C69 1.432(9) .
C69 H69 0.9800 .
C69 H69A 0.9800 .
C69 H69B 0.9800 .
C70 O7 1.406(6) .
C70 H70 0.9800 .
C70 H70A 0.9800 .
C70 H70B 0.9800 .
O7 C71 1.397(6) .
O7 Li2 2.200(10) .
C71 C72 1.425(8) .
C71 H71 0.9900 .
C71 H71A 0.9900 .
C72 O8 1.293(7) .
C72 H72 0.9900 .
C72 H72A 0.9900 .
O8 C73 1.427(6) .
O8 Li2 2.145(9) .
C73 H73 0.9800 .
C73 H73A 0.9800 .
C73 H73B 0.9800 .
Li2 O10 2.064(10) .
Li2 O12 2.089(9) .
Li2 O11 2.156(9) .
Li2 O9 2.217(10) .
C74 O9 1.429(6) .
C74 H74 0.9800 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
O9 C75 1.432(6) .
C75 C76 1.490(7) .
C75 H75 0.9900 .
C75 H75A 0.9900 .
C76 O10 1.430(6) .
C76 H76 0.9900 .
C76 H76A 0.9900 .
O10 C77 1.428(6) .
C77 H77 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C78 O11 1.405(6) .
C78 H78 0.9800 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
O11 C79 1.420(6) .
C79 C80 1.477(8) .
C79 H79 0.9900 .
C79 H79A 0.9900 .
C80 O12 1.435(6) .
C80 H80 0.9900 .
C80 H80A 0.9900 .
O12 C81 1.417(6) .
C81 H81 0.9800 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C82 O13 1.69(2) .
C82 H82 0.9800 .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
O13 C83 1.30(2) .
C83 C83 1.98(5) 3_665
C83 H83 0.9900 .
C83 H83A 0.9900 .
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_4
P1 C1 C2 C3 179.6(8) .
C3 C1 C2 P2 176.3(10) .
P1 C1 C2 P2 -4.0(15) .
P2 C2 C3 C1 -177.4(7) .
C1 C2 C3 P3 -179.4(10) .
P2 C2 C3 P3 3.2(15) .
P1 C1 C3 C2 -179.6(9) .
C2 C1 C3 P3 179.6(7) .
P1 C1 C3 P3 -0.1(13) .
C2 C1 P1 C4 176.0(7) .
C3 C1 P1 C4 -4.6(9) .
C3 C2 P2 C22 -180.0(6) .
C1 C2 P2 C22 5.5(10) .
C2 C3 P3 C40 1.4(10) .
C1 C3 P3 C40 -177.7(6) .
C1 P1 C4 C5 96.1(4) .
C1 P1 C4 C9 -96.6(4) .
C9 C4 C5 C6 -5.3(7) .
P1 C4 C5 C6 162.3(4) .
C9 C4 C5 C14 176.1(4) .
P1 C4 C5 C14 -16.2(7) .
C4 C5 C6 C7 0.4(8) .
C14 C5 C6 C7 179.1(5) .
C5 C6 C7 C8 3.4(8) .
C5 C6 C7 C18 -179.0(5) .
C6 C7 C8 C9 -2.3(8) .
C18 C7 C8 C9 -179.9(5) .
C7 C8 C9 C4 -2.6(8) .
C7 C8 C9 C10 176.4(5) .
C5 C4 C9 C8 6.4(7) .
P1 C4 C9 C8 -161.3(4) .
C5 C4 C9 C10 -172.6(5) .
P1 C4 C9 C10 19.8(7) .
C8 C9 C10 C13 -129.4(5) .
C4 C9 C10 C13 49.7(7) .
C8 C9 C10 C11 -11.3(7) .
C4 C9 C10 C11 167.7(5) .
C8 C9 C10 C12 107.1(5) .
C4 C9 C10 C12 -73.9(6) .
C6 C5 C14 C15 15.7(6) .
C4 C5 C14 C15 -165.7(5) .
C6 C5 C14 C16 -103.9(5) .
C4 C5 C14 C16 74.8(6) .
C6 C5 C14 C17 134.4(5) .
C4 C5 C14 C17 -46.9(6) .
C6 C7 C18 C19 122.7(6) .
C8 C7 C18 C19 -59.9(7) .
C6 C7 C18 C21 -117.8(6) .
C8 C7 C18 C21 59.7(7) .
C6 C7 C18 C20 1.8(8) .
C8 C7 C18 C20 179.3(5) .
C2 P2 C22 C27 94.0(4) .
C2 P2 C22 C23 -99.2(4) .
C27 C22 C23 C24 4.8(7) .
P2 C22 C23 C24 -162.4(4) .
C27 C22 C23 C32 -174.2(4) .
P2 C22 C23 C32 18.6(6) .
C22 C23 C24 C25 -0.8(7) .
C32 C23 C24 C25 178.3(5) .
C23 C24 C25 C26 -3.2(7) .
C23 C24 C25 C36 177.9(5) .
C24 C25 C26 C27 3.3(8) .
C36 C25 C26 C27 -177.9(5) .
C25 C26 C27 C22 0.7(8) .
C25 C26 C27 C28 178.6(5) .
C23 C22 C27 C26 -4.7(7) .
P2 C22 C27 C26 162.5(4) .
C23 C22 C27 C28 177.5(5) .
P2 C22 C27 C28 -15.3(7) .
C26 C27 C28 C31 -107.9(5) .
C22 C27 C28 C31 70.0(6) .
C26 C27 C28 C29 128.6(5) .
C22 C27 C28 C29 -53.6(7) .
C26 C27 C28 C30 12.1(7) .
C22 C27 C28 C30 -170.1(5) .
C24 C23 C32 C34 -132.1(5) .
C22 C23 C32 C34 47.0(7) .
C24 C23 C32 C33 105.6(5) .
C22 C23 C32 C33 -75.3(6) .
C24 C23 C32 C35 -12.9(6) .
C22 C23 C32 C35 166.2(5) .
C24 C25 C36 C37 56.2(6) .
C26 C25 C36 C37 -122.5(5) .
C24 C25 C36 C39 177.1(5) .
C26 C25 C36 C39 -1.7(7) .
C24 C25 C36 C38 -64.1(6) .
C26 C25 C36 C38 117.1(5) .
C3 P3 C40 C41 -94.0(4) .
C3 P3 C40 C45 97.2(4) .
C45 C40 C41 C42 1.9(6) .
P3 C40 C41 C42 -167.3(3) .
C45 C40 C41 C50 -179.8(4) .
P3 C40 C41 C50 11.1(6) .
C40 C41 C42 C43 -0.4(7) .
C50 C41 C42 C43 -178.9(4) .
C41 C42 C43 C44 -0.7(7) .
C41 C42 C43 C54 178.4(4) .
C42 C43 C44 C45 0.3(7) .
C54 C43 C44 C45 -178.8(4) .
C43 C44 C45 C40 1.2(7) .
C43 C44 C45 C46 -179.5(4) .
C41 C40 C45 C44 -2.2(6) .
P3 C40 C45 C44 167.2(3) .
C41 C40 C45 C46 178.6(4) .
P3 C40 C45 C46 -12.0(6) .
C44 C45 C46 C48 7.1(6) .
C40 C45 C46 C48 -173.6(5) .
C44 C45 C46 C49 -111.0(5) .
C40 C45 C46 C49 68.3(6) .
C44 C45 C46 C47 125.3(5) .
C40 C45 C46 C47 -55.4(6) .
C42 C41 C50 C52 -128.3(5) .
C40 C41 C50 C52 53.2(6) .
C42 C41 C50 C53 -9.1(6) .
C40 C41 C50 C53 172.5(4) .
C42 C41 C50 C51 108.6(5) .
C40 C41 C50 C51 -69.8(6) .
C42 C43 C54 C55 6.9(8) .
C44 C43 C54 C55 -174.0(5) .
C42 C43 C54 C56 -115.9(6) .
C44 C43 C54 C56 63.1(7) .
C42 C43 C54 C57 126.3(6) .
C44 C43 C54 C57 -54.6(6) .
O3 Li1 O1 C59 82.0(5) .
O6 Li1 O1 C59 -87.4(19) .
O4 Li1 O1 C59 160.5(4) .
O2 Li1 O1 C59 -5.9(5) .
O5 Li1 O1 C59 -102.7(5) .
O3 Li1 O1 C58 -61.6(7) .
O6 Li1 O1 C58 129.0(18) .
O4 Li1 O1 C58 16.9(7) .
O2 Li1 O1 C58 -149.6(5) .
O5 Li1 O1 C58 113.7(5) .
C58 O1 C59 C60 -176.8(5) .
Li1 O1 C59 C60 35.1(6) .
O1 C59 C60 O2 -57.7(6) .
C59 C60 O2 C61 -168.6(5) .
C59 C60 O2 Li1 50.6(6) .
O3 Li1 O2 C60 -125.3(4) .
O6 Li1 O2 C60 135.0(5) .
O1 Li1 O2 C60 -25.3(5) .
O4 Li1 O2 C60 -84(2) .
O5 Li1 O2 C60 59.4(5) .
O3 Li1 O2 C61 100.9(6) .
O6 Li1 O2 C61 1.2(7) .
O1 Li1 O2 C61 -159.1(5) .
O4 Li1 O2 C61 142.1(19) .
O5 Li1 O2 C61 -74.4(6) .
O6 Li1 O3 C62 127.0(5) .
O1 Li1 O3 C62 -49.5(7) .
O4 Li1 O3 C62 -141.8(4) .
O2 Li1 O3 C62 27.6(6) .
O5 Li1 O3 C62 169(4) .
O6 Li1 O3 C63 -86.8(5) .
O1 Li1 O3 C63 96.7(5) .
O4 Li1 O3 C63 4.4(5) .
O2 Li1 O3 C63 173.8(4) .
O5 Li1 O3 C63 -45(5) .
C62 O3 C63 C64 174.8(5) .
Li1 O3 C63 C64 23.5(6) .
O3 C63 C64 O4 -52.8(6) .
C63 C64 O4 C65 -168.8(5) .
C63 C64 O4 Li1 54.0(5) .
O3 Li1 O4 C65 -161.6(5) .
O6 Li1 O4 C65 -62.6(6) .
O1 Li1 O4 C65 99.3(6) .
O2 Li1 O4 C65 156.0(19) .
O5 Li1 O4 C65 12.6(7) .
O3 Li1 O4 C64 -32.1(4) .
O6 Li1 O4 C64 66.9(5) .
O1 Li1 O4 C64 -131.2(4) .
O2 Li1 O4 C64 -75(2) .
O5 Li1 O4 C64 142.1(4) .
O3 Li1 O5 C67 -33(5) .
O6 Li1 O5 C67 9.9(6) .
O1 Li1 O5 C67 -175.3(5) .
O4 Li1 O5 C67 -81.4(6) .
O2 Li1 O5 C67 108.0(6) .
O3 Li1 O5 C66 116(4) .
O6 Li1 O5 C66 159.1(5) .
O1 Li1 O5 C66 -26.1(7) .
O4 Li1 O5 C66 67.8(7) .
O2 Li1 O5 C66 -102.8(6) .
C66 O5 C67 C68 172.8(6) .
Li1 O5 C67 C68 -33.6(8) .
O5 C67 C68 O6 47.7(9) .
C67 C68 O6 C69 170.4(7) .
C67 C68 O6 Li1 -39.0(8) .
O3 Li1 O6 C69 -20.5(8) .
O1 Li1 O6 C69 149.0(17) .
O4 Li1 O6 C69 -98.8(6) .
O2 Li1 O6 C69 71.3(7) .
O5 Li1 O6 C69 164.8(6) .
O3 Li1 O6 C68 -170.1(5) .
O1 Li1 O6 C68 -1(2) .
O4 Li1 O6 C68 111.6(5) .
O2 Li1 O6 C68 -78.3(6) .
O5 Li1 O6 C68 15.2(6) .
C70 O7 C71 C72 178.8(6) .
Li2 O7 C71 C72 6.9(8) .
O7 C71 C72 O8 -18.9(11) .
C71 C72 O8 C73 -172.7(6) .
C71 C72 O8 Li2 21.5(10) .
C72 O8 Li2 O10 154.9(5) .
C73 O8 Li2 O10 -10.2(6) .
C72 O8 Li2 O12 -109.3(6) .
C73 O8 Li2 O12 85.7(5) .
C72 O8 Li2 O11 -48.1(18) .
C73 O8 Li2 O11 146.8(15) .
C72 O8 Li2 O7 -12.3(6) .
C73 O8 Li2 O7 -177.4(4) .
C72 O8 Li2 O9 77.6(6) .
C73 O8 Li2 O9 -87.5(5) .
C71 O7 Li2 O10 -49(2) .
C70 O7 Li2 O10 140.6(17) .
C71 O7 Li2 O12 93.1(5) .
C70 O7 Li2 O12 -77.3(6) .
C71 O7 Li2 O8 2.3(5) .
C70 O7 Li2 O8 -168.1(5) .
C71 O7 Li2 O11 171.8(4) .
C70 O7 Li2 O11 1.5(7) .
C71 O7 Li2 O9 -93.9(5) .
C70 O7 Li2 O9 95.8(6) .
O10 Li2 O9 C74 -155.0(4) .
O12 Li2 O9 C74 156(2) .
O8 Li2 O9 C74 -61.4(5) .
O11 Li2 O9 C74 104.0(4) .
O7 Li2 O9 C74 13.1(5) .
O10 Li2 O9 C75 -22.0(4) .
O12 Li2 O9 C75 -71(3) .
O8 Li2 O9 C75 71.6(4) .
O11 Li2 O9 C75 -123.0(4) .
O7 Li2 O9 C75 146.1(3) .
C74 O9 C75 C76 -174.1(4) .
Li2 O9 C75 C76 45.1(5) .
O9 C75 C76 O10 -50.7(5) .
C75 C76 O10 C77 -173.3(4) .
C75 C76 O10 Li2 31.8(5) .
O12 Li2 O10 C77 15.0(6) .
O8 Li2 O10 C77 108.2(5) .
O11 Li2 O10 C77 -64.7(6) .
O7 Li2 O10 C77 157.3(17) .
O9 Li2 O10 C77 -156.4(4) .
O12 Li2 O10 C76 165.5(4) .
O8 Li2 O10 C76 -101.3(4) .
O11 Li2 O10 C76 85.8(4) .
O7 Li2 O10 C76 -52.3(19) .
O9 Li2 O10 C76 -5.9(4) .
O10 Li2 O11 C78 -55.1(6) .
O12 Li2 O11 C78 -148.6(4) .
O8 Li2 O11 C78 148.3(15) .
O7 Li2 O11 C78 114.0(4) .
O9 Li2 O11 C78 22.3(5) .
O10 Li2 O11 C79 76.8(5) .
O12 Li2 O11 C79 -16.7(4) .
O8 Li2 O11 C79 -79.8(17) .
O7 Li2 O11 C79 -114.2(4) .
O9 Li2 O11 C79 154.2(4) .
C78 O11 C79 C80 -179.7(4) .
Li2 O11 C79 C80 43.4(5) .
O11 C79 C80 O12 -55.8(6) .
C79 C80 O12 C81 -171.5(4) .
C79 C80 O12 Li2 39.9(6) .
O10 Li2 O12 C81 103.9(5) .
O8 Li2 O12 C81 8.6(6) .
O11 Li2 O12 C81 -155.4(4) .
O7 Li2 O12 C81 -66.1(6) .
O9 Li2 O12 C81 152(2) .
O10 Li2 O12 C80 -114.0(4) .
O8 Li2 O12 C80 150.7(4) .
O11 Li2 O12 C80 -13.2(4) .
O7 Li2 O12 C80 76.1(5) .
O9 Li2 O12 C80 -66(3) .
C82 O13 C83 C83 178.4(8) 3_665
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1 PubChem 139182878
