#------------------------------------------------------------------------------
#$Date: 2016-03-25 08:49:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179709 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/12/7001273.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_7001273
loop_
_publ_author_name
'Niemeyer, Jochen'
'Kehr, Gerald'
'Fröhlich, Roland'
'Erker, Gerhard'
_publ_section_title
;
 Bis(“ferrocene-saliminato”) group 4 metal complexes:
 synthesis, structural features and use in homogenous Ziegler--Natta
 polymerization catalysis
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3731
_journal_page_last               3741
_journal_paper_doi               10.1039/b822741a
_journal_year                    2009
_chemical_formula_sum            'C69 H78 Fe3 Li3 N3 O3'
_chemical_formula_weight         1185.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.828(1)
_cell_length_b                   17.780(1)
_cell_length_c                   23.866(1)
_cell_measurement_reflns_used    12657
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     6292.1(6)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SCHAKAL (Keller, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0727
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            37121
_diffrn_reflns_theta_full        26.30
_diffrn_reflns_theta_max         26.30
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.9306
_exptl_absorpt_correction_T_min  0.8108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV (Blessing, 1995 & 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.252
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2496
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.366
_refine_diff_density_min         -0.279
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.017(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         12696
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0817
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0332P)²+0.1372P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0754
_refine_ls_wR_factor_ref         0.0843
_reflns_number_gt                9287
_reflns_number_total             12696
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b822741a.txt
_cod_data_source_block           erk3731
_cod_original_sg_symbol_H-M      P212121
_cod_database_code               7001273
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -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
Li1A Li 0.7704(4) -0.1162(3) 0.1966(2) 0.0393(14) Uani 1 1 d . . .
Fe1A Fe 0.69579(3) 0.05708(2) 0.128356(19) 0.02976(12) Uani 1 1 d . . .
O1A O 0.84956(13) -0.05431(11) 0.15826(8) 0.0312(5) Uani 1 1 d . . .
N1A N 0.69035(16) -0.15083(12) 0.13294(10) 0.0290(6) Uani 1 1 d . . .
C1A C 0.80852(19) -0.01439(15) 0.11999(12) 0.0248(7) Uani 1 1 d . . .
C2A C 0.7320(2) -0.03729(15) 0.08590(13) 0.0264(7) Uani 1 1 d . . .
C3A C 0.7113(2) 0.02279(17) 0.04800(13) 0.0338(8) Uani 1 1 d . . .
H3A H 0.6656 0.0223 0.0201 0.041 Uiso 1 1 calc R . .
C4A C 0.7709(2) 0.08288(17) 0.05938(14) 0.0367(9) Uani 1 1 d . . .
H4A H 0.7719 0.1301 0.0407 0.044 Uiso 1 1 calc R . .
C5A C 0.8294(2) 0.06037(16) 0.10372(13) 0.0300(7) Uani 1 1 d . . .
H5A H 0.8753 0.0907 0.1199 0.036 Uiso 1 1 calc R . .
C6A C 0.6857(2) -0.10864(15) 0.08967(13) 0.0292(7) Uani 1 1 d . . .
H6A H 0.6503 -0.1248 0.0587 0.035 Uiso 1 1 calc R . .
C7A C 0.6489(2) -0.22336(17) 0.13392(14) 0.0388(9) Uani 1 1 d . . .
C8A C 0.7067(3) -0.28548(18) 0.13361(16) 0.0536(11) Uani 1 1 d . . .
C9A C 0.6683(5) -0.3564(2) 0.14159(19) 0.0871(17) Uani 1 1 d . . .
H9A H 0.7058 -0.3997 0.1425 0.104 Uiso 1 1 calc R . .
C10A C 0.5771(5) -0.3640(3) 0.1482(2) 0.107(2) Uani 1 1 d . . .
H10A H 0.5519 -0.4127 0.1534 0.128 Uiso 1 1 calc R . .
C11A C 0.5216(4) -0.3026(3) 0.1474(2) 0.094(2) Uani 1 1 d . . .
H11A H 0.4584 -0.3093 0.1516 0.113 Uiso 1 1 calc R . .
C12A C 0.5556(3) -0.2314(2) 0.14050(17) 0.0575(11) Uani 1 1 d . . .
C13A C 0.8069(3) -0.2763(2) 0.1255(2) 0.0731(14) Uani 1 1 d . . .
H13A H 0.8178 -0.2223 0.1158 0.088 Uiso 1 1 calc R . .
C14A C 0.8431(4) -0.3232(3) 0.0771(2) 0.109(2) Uani 1 1 d . . .
H14A H 0.8335 -0.3766 0.0850 0.164 Uiso 1 1 calc R . .
H14B H 0.9078 -0.3136 0.0726 0.164 Uiso 1 1 calc R . .
H14C H 0.8114 -0.3095 0.0425 0.164 Uiso 1 1 calc R . .
C15A C 0.8588(4) -0.2924(3) 0.1792(2) 0.114(2) Uani 1 1 d . . .
H15A H 0.8316 -0.2644 0.2103 0.170 Uiso 1 1 calc R . .
H15B H 0.9218 -0.2768 0.1746 0.170 Uiso 1 1 calc R . .
H15C H 0.8565 -0.3464 0.1873 0.170 Uiso 1 1 calc R . .
C16A C 0.4908(3) -0.1639(3) 0.1395(2) 0.0796(15) Uani 1 1 d . . .
H16A H 0.5283 -0.1173 0.1420 0.095 Uiso 1 1 calc R . .
C17A C 0.4381(4) -0.1595(3) 0.0862(2) 0.0980(18) Uani 1 1 d . . .
H17A H 0.4797 -0.1550 0.0544 0.147 Uiso 1 1 calc R . .
H17B H 0.3984 -0.1155 0.0873 0.147 Uiso 1 1 calc R . .
H17C H 0.4017 -0.2052 0.0819 0.147 Uiso 1 1 calc R . .
C18A C 0.4271(3) -0.1638(5) 0.1890(2) 0.158(4) Uani 1 1 d . . .
H18A H 0.3784 -0.1276 0.1824 0.237 Uiso 1 1 calc R . .
H18B H 0.4602 -0.1495 0.2230 0.237 Uiso 1 1 calc R . .
H18C H 0.4014 -0.2141 0.1939 0.237 Uiso 1 1 calc R . .
C21A C 0.6257(3) 0.0306(2) 0.19862(18) 0.0557(11) Uani 1 1 d . . .
H21A H 0.6290 -0.0161 0.2179 0.067 Uiso 1 1 calc R . .
C22A C 0.5665(3) 0.0482(2) 0.1559(2) 0.0625(12) Uani 1 1 d . . .
H22A H 0.5218 0.0158 0.1408 0.075 Uiso 1 1 calc R . .
C23A C 0.5837(3) 0.1212(3) 0.13892(19) 0.0675(13) Uani 1 1 d . . .
H23A H 0.5527 0.1473 0.1100 0.081 Uiso 1 1 calc R . .
C24A C 0.6534(3) 0.1498(2) 0.17109(19) 0.0618(12) Uani 1 1 d . . .
H24A H 0.6786 0.1987 0.1682 0.074 Uiso 1 1 calc R . .
C25A C 0.6801(3) 0.0935(2) 0.20866(16) 0.0566(10) Uani 1 1 d . . .
H25A H 0.7265 0.0973 0.2359 0.068 Uiso 1 1 calc R . .
Li1B Li 0.8836(4) -0.1166(3) 0.2979(2) 0.0379(13) Uani 1 1 d . . .
Fe1B Fe 0.61249(3) -0.12412(2) 0.359416(19) 0.02824(11) Uani 1 1 d . . .
O1B O 0.76978(13) -0.13533(11) 0.27160(8) 0.0315(5) Uani 1 1 d . . .
N1B N 0.87013(16) -0.12615(12) 0.38163(10) 0.0249(6) Uani 1 1 d . . .
C1B C 0.7131(2) -0.17003(15) 0.30529(13) 0.0265(7) Uani 1 1 d . . .
C2B C 0.72730(19) -0.18607(14) 0.36400(13) 0.0238(7) Uani 1 1 d . . .
C3B C 0.6496(2) -0.22695(15) 0.38401(15) 0.0338(8) Uani 1 1 d . . .
H3B H 0.6413 -0.2462 0.4208 0.041 Uiso 1 1 calc R . .
C4B C 0.5884(2) -0.23304(17) 0.33927(16) 0.0395(9) Uani 1 1 d . . .
H4B H 0.5314 -0.2574 0.3407 0.047 Uiso 1 1 calc R . .
C5B C 0.6256(2) -0.19700(16) 0.29192(15) 0.0350(8) Uani 1 1 d . . .
H5B H 0.5967 -0.1916 0.2566 0.042 Uiso 1 1 calc R . .
C6B C 0.7978(2) -0.15788(15) 0.39910(12) 0.0257(7) Uani 1 1 d . . .
H6B H 0.7905 -0.1631 0.4385 0.031 Uiso 1 1 calc R . .
C7B C 0.9303(2) -0.09626(16) 0.42252(13) 0.0270(7) Uani 1 1 d . . .
C8B C 0.9425(2) -0.01792(17) 0.42340(14) 0.0334(8) Uani 1 1 d . . .
C9B C 1.0034(2) 0.01179(19) 0.46201(16) 0.0420(9) Uani 1 1 d . . .
H9B H 1.0130 0.0646 0.4630 0.050 Uiso 1 1 calc R . .
C10B C 1.0498(2) -0.0336(2) 0.49877(15) 0.0448(9) Uani 1 1 d . . .
H10B H 1.0904 -0.0121 0.5251 0.054 Uiso 1 1 calc R . .
C11B C 1.0372(2) -0.11009(19) 0.49732(14) 0.0403(9) Uani 1 1 d . . .
H11B H 1.0698 -0.1409 0.5228 0.048 Uiso 1 1 calc R . .
C12B C 0.9780(2) -0.14378(16) 0.45952(13) 0.0299(8) Uani 1 1 d . . .
C13B C 0.8913(2) 0.03261(16) 0.38233(14) 0.0402(9) Uani 1 1 d . . .
H13B H 0.8388 0.0031 0.3680 0.048 Uiso 1 1 calc R . .
C14B C 0.9502(3) 0.0523(2) 0.33214(17) 0.0633(12) Uani 1 1 d . . .
H14D H 0.9145 0.0803 0.3046 0.095 Uiso 1 1 calc R . .
H14E H 0.9729 0.0059 0.3149 0.095 Uiso 1 1 calc R . .
H14F H 1.0012 0.0832 0.3445 0.095 Uiso 1 1 calc R . .
C15B C 0.8539(3) 0.10337(19) 0.40990(18) 0.0673(13) Uani 1 1 d . . .
H15D H 0.8161 0.0893 0.4419 0.101 Uiso 1 1 calc R . .
H15E H 0.8177 0.1314 0.3827 0.101 Uiso 1 1 calc R . .
H15F H 0.9040 0.1349 0.4229 0.101 Uiso 1 1 calc R . .
C16B C 0.9677(2) -0.22881(17) 0.45871(15) 0.0390(9) Uani 1 1 d . . .
H16B H 0.9287 -0.2419 0.4260 0.047 Uiso 1 1 calc R . .
C17B C 0.9213(3) -0.2591(2) 0.51139(16) 0.0506(10) Uani 1 1 d . . .
H17D H 0.9593 -0.2492 0.5442 0.076 Uiso 1 1 calc R . .
H17E H 0.9119 -0.3134 0.5075 0.076 Uiso 1 1 calc R . .
H17F H 0.8629 -0.2340 0.5162 0.076 Uiso 1 1 calc R . .
C18B C 1.0589(3) -0.26862(19) 0.45036(16) 0.0517(10) Uani 1 1 d . . .
H18D H 1.0876 -0.2499 0.4161 0.078 Uiso 1 1 calc R . .
H18E H 1.0491 -0.3230 0.4471 0.078 Uiso 1 1 calc R . .
H18F H 1.0981 -0.2584 0.4826 0.078 Uiso 1 1 calc R . .
C21B C 0.6332(2) -0.02818(17) 0.40527(16) 0.0405(9) Uani 1 1 d . . .
H21B H 0.6865 -0.0159 0.4254 0.049 Uiso 1 1 calc R . .
C22B C 0.6152(3) -0.01028(17) 0.34906(16) 0.0449(10) Uani 1 1 d . . .
H22B H 0.6540 0.0166 0.3245 0.054 Uiso 1 1 calc R . .
C23B C 0.5290(3) -0.03942(19) 0.33552(17) 0.0512(11) Uani 1 1 d . . .
H23B H 0.4998 -0.0358 0.3002 0.061 Uiso 1 1 calc R . .
C24B C 0.4947(2) -0.07444(19) 0.38334(17) 0.0462(10) Uani 1 1 d . . .
H24B H 0.4379 -0.0989 0.3861 0.055 Uiso 1 1 calc R . .
C25B C 0.5582(2) -0.06749(18) 0.42663(15) 0.0413(9) Uani 1 1 d . . .
H25B H 0.5518 -0.0860 0.4638 0.050 Uiso 1 1 calc R . .
Li1C Li 0.9651(4) -0.0666(3) 0.1813(2) 0.0381(13) Uani 1 1 d . . .
Fe1C Fe 1.17037(3) -0.15764(2) 0.293592(19) 0.03061(12) Uani 1 1 d . . .
O1C O 0.97751(13) -0.11651(12) 0.24803(9) 0.0339(5) Uani 1 1 d . . .
N1C N 1.08787(16) -0.08107(13) 0.14636(10) 0.0279(6) Uani 1 1 d . . .
C1C C 1.0422(2) -0.16639(16) 0.25309(13) 0.0282(7) Uani 1 1 d . . .
C2C C 1.1175(2) -0.17667(15) 0.21529(12) 0.0258(7) Uani 1 1 d . . .
C3C C 1.1705(2) -0.23892(16) 0.23550(13) 0.0333(8) Uani 1 1 d . . .
H3C H 1.2236 -0.2585 0.2187 0.040 Uiso 1 1 calc R . .
C4C C 1.1289(2) -0.26564(17) 0.28506(15) 0.0426(9) Uani 1 1 d . . .
H4C H 1.1486 -0.3071 0.3070 0.051 Uiso 1 1 calc R . .
C5C C 1.0532(2) -0.22021(16) 0.29632(15) 0.0359(8) Uani 1 1 d . . .
H5C H 1.0152 -0.2249 0.3282 0.043 Uiso 1 1 calc R . .
C6C C 1.1391(2) -0.13120(15) 0.16687(12) 0.0258(7) Uani 1 1 d . . .
H6C H 1.1956 -0.1395 0.1491 0.031 Uiso 1 1 calc R . .
C7C C 1.1199(2) -0.04198(16) 0.09705(14) 0.0325(8) Uani 1 1 d . . .
C8C C 1.0933(3) -0.06884(18) 0.04465(15) 0.0443(9) Uani 1 1 d . . .
C9C C 1.1249(3) -0.0311(2) -0.00231(16) 0.0636(12) Uani 1 1 d . . .
H9C H 1.1081 -0.0485 -0.0385 0.076 Uiso 1 1 calc R . .
C10C C 1.1791(3) 0.0301(2) 0.00199(19) 0.0645(12) Uani 1 1 d . . .
H10C H 1.2013 0.0540 -0.0309 0.077 Uiso 1 1 calc R . .
C11C C 1.2018(3) 0.0575(2) 0.0537(2) 0.0603(11) Uani 1 1 d . . .
H11C H 1.2379 0.1015 0.0562 0.072 Uiso 1 1 calc R . .
C12C C 1.1727(2) 0.02191(18) 0.10292(16) 0.0426(9) Uani 1 1 d . . .
C13C C 1.0318(3) -0.13714(19) 0.03883(16) 0.0599(12) Uani 1 1 d . . .
H13C H 1.0109 -0.1511 0.0773 0.072 Uiso 1 1 calc R . .
C14C C 1.0859(4) -0.2039(2) 0.0158(2) 0.0907(17) Uani 1 1 d . . .
H14G H 1.0476 -0.2488 0.0152 0.136 Uiso 1 1 calc R . .
H14H H 1.1383 -0.2130 0.0399 0.136 Uiso 1 1 calc R . .
H14I H 1.1062 -0.1925 -0.0223 0.136 Uiso 1 1 calc R . .
C15C C 0.9481(3) -0.1214(2) 0.00357(19) 0.0683(12) Uani 1 1 d . . .
H15G H 0.9138 -0.0801 0.0204 0.102 Uiso 1 1 calc R . .
H15H H 0.9104 -0.1667 0.0021 0.102 Uiso 1 1 calc R . .
H15I H 0.9663 -0.1074 -0.0345 0.102 Uiso 1 1 calc R . .
C16C C 1.1936(3) 0.0555(2) 0.15971(17) 0.0633(12) Uani 1 1 d . . .
H16C H 1.1762 0.0179 0.1889 0.076 Uiso 1 1 calc R . .
C17C C 1.1362(5) 0.1256(3) 0.1685(3) 0.143(3) Uani 1 1 d . . .
H17G H 1.1460 0.1606 0.1374 0.215 Uiso 1 1 calc R . .
H17H H 1.1532 0.1498 0.2038 0.215 Uiso 1 1 calc R . .
H17I H 1.0724 0.1114 0.1698 0.215 Uiso 1 1 calc R . .
C18C C 1.2935(4) 0.0737(3) 0.1675(3) 0.134(3) Uani 1 1 d . . .
H18G H 1.3289 0.0274 0.1643 0.200 Uiso 1 1 calc R . .
H18H H 1.3029 0.0961 0.2046 0.200 Uiso 1 1 calc R . .
H18I H 1.3127 0.1094 0.1385 0.200 Uiso 1 1 calc R . .
C21C C 1.2437(2) -0.1486(2) 0.36581(16) 0.0507(10) Uani 1 1 d . . .
H21C H 1.2511 -0.1867 0.3933 0.061 Uiso 1 1 calc R . .
C22C C 1.2996(2) -0.1370(2) 0.31874(14) 0.0436(9) Uani 1 1 d . . .
H22C H 1.3507 -0.1662 0.3085 0.052 Uiso 1 1 calc R . .
C23C C 1.2655(2) -0.07408(18) 0.28964(17) 0.0434(9) Uani 1 1 d . . .
H23C H 1.2907 -0.0527 0.2567 0.052 Uiso 1 1 calc R . .
C24C C 1.1880(2) -0.04833(19) 0.31742(16) 0.0486(10) Uani 1 1 d . . .
H24C H 1.1511 -0.0074 0.3061 0.058 Uiso 1 1 calc R . .
C25C C 1.1745(3) -0.0937(2) 0.36503(16) 0.0515(10) Uani 1 1 d . . .
H25C H 1.1275 -0.0885 0.3918 0.062 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'
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'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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
O1B Li1A O1A 126.9(3) . . ?
O1B Li1A N1A 132.6(3) . . ?
O1A Li1A N1A 100.5(3) . . ?
O1B Li1A C1A 144.2(3) . . ?
O1A Li1A C1A 27.42(12) . . ?
N1A Li1A C1A 79.29(19) . . ?
O1B Li1A Li1B 36.43(17) . . ?
O1A Li1A Li1B 92.6(2) . . ?
N1A Li1A Li1B 161.9(3) . . ?
C1A Li1A Li1B 116.7(2) . . ?
O1B Li1A Li1C 100.2(3) . . ?
O1A Li1A Li1C 33.48(16) . . ?
N1A Li1A Li1C 123.7(3) . . ?
C1A Li1A Li1C 60.89(16) . . ?
Li1B Li1A Li1C 63.78(19) . . ?
C3A Fe1A C21A 140.46(15) . . ?
C3A Fe1A C23A 112.30(16) . . ?
C21A Fe1A C23A 66.95(18) . . ?
C3A Fe1A C2A 41.36(12) . . ?
C21A Fe1A C2A 110.83(13) . . ?
C23A Fe1A C2A 137.83(17) . . ?
C3A Fe1A C22A 112.95(16) . . ?
C21A Fe1A C22A 39.79(16) . . ?
C23A Fe1A C22A 39.77(17) . . ?
C2A Fe1A C22A 110.25(14) . . ?
C3A Fe1A C25A 178.97(15) . . ?
C21A Fe1A C25A 40.28(15) . . ?
C23A Fe1A C25A 67.12(17) . . ?
C2A Fe1A C25A 139.64(15) . . ?
C22A Fe1A C25A 67.21(17) . . ?
C3A Fe1A C24A 138.80(16) . . ?
C21A Fe1A C24A 67.43(15) . . ?
C23A Fe1A C24A 39.79(16) . . ?
C2A Fe1A C24A 177.28(15) . . ?
C22A Fe1A C24A 67.05(16) . . ?
C25A Fe1A C24A 40.22(15) . . ?
C3A Fe1A C4A 40.67(12) . . ?
C21A Fe1A C4A 177.71(18) . . ?
C23A Fe1A C4A 114.90(17) . . ?
C2A Fe1A C4A 68.84(12) . . ?
C22A Fe1A C4A 142.51(18) . . ?
C25A Fe1A C4A 138.63(15) . . ?
C24A Fe1A C4A 112.98(14) . . ?
C3A Fe1A C5A 68.30(12) . . ?
C21A Fe1A C5A 137.10(17) . . ?
C23A Fe1A C5A 143.50(17) . . ?
C2A Fe1A C5A 68.19(12) . . ?
C22A Fe1A C5A 176.30(17) . . ?
C25A Fe1A C5A 111.61(15) . . ?
C24A Fe1A C5A 114.53(15) . . ?
C4A Fe1A C5A 40.60(12) . . ?
C3A Fe1A C1A 68.83(12) . . ?
C21A Fe1A C1A 110.14(14) . . ?
C23A Fe1A C1A 176.72(16) . . ?
C2A Fe1A C1A 41.06(11) . . ?
C22A Fe1A C1A 136.99(15) . . ?
C25A Fe1A C1A 111.80(14) . . ?
C24A Fe1A C1A 141.19(16) . . ?
C4A Fe1A C1A 68.05(12) . . ?
C5A Fe1A C1A 39.71(11) . . ?
C1A O1A Li1C 135.8(2) . . ?
C1A O1A Li1A 111.9(2) . . ?
Li1C O1A Li1A 112.2(3) . . ?
C6A N1A C7A 121.3(3) . . ?
C6A N1A Li1A 117.3(2) . . ?
C7A N1A Li1A 121.0(2) . . ?
O1A C1A C5A 126.7(3) . . ?
O1A C1A C2A 127.0(2) . . ?
C5A C1A C2A 106.2(3) . . ?
O1A C1A Fe1A 129.0(2) . . ?
C5A C1A Fe1A 68.56(16) . . ?
C2A C1A Fe1A 66.63(16) . . ?
C5A C1A Li1A 151.7(2) . . ?
C2A C1A Li1A 91.6(2) . . ?
Fe1A C1A Li1A 100.27(16) . . ?
C3A C2A C6A 126.3(3) . . ?
C3A C2A C1A 108.1(2) . . ?
C6A C2A C1A 125.6(3) . . ?
C3A C2A Fe1A 69.06(17) . . ?
C6A C2A Fe1A 124.6(2) . . ?
C1A C2A Fe1A 72.31(16) . . ?
C4A C3A C2A 108.0(3) . . ?
C4A C3A Fe1A 70.23(19) . . ?
C2A C3A Fe1A 69.58(17) . . ?
C3A C4A C5A 108.1(3) . . ?
C3A C4A Fe1A 69.10(18) . . ?
C5A C4A Fe1A 70.72(18) . . ?
C1A C5A C4A 109.5(3) . . ?
C1A C5A Fe1A 71.74(17) . . ?
C4A C5A Fe1A 68.67(18) . . ?
N1A C6A C2A 122.7(3) . . ?
C8A C7A C12A 121.8(3) . . ?
C8A C7A N1A 116.6(3) . . ?
C12A C7A N1A 121.3(3) . . ?
C9A C8A C7A 117.5(4) . . ?
C9A C8A C13A 121.1(4) . . ?
C7A C8A C13A 121.3(3) . . ?
C10A C9A C8A 120.5(5) . . ?
C11A C10A C9A 121.0(4) . . ?
C10A C11A C12A 121.1(5) . . ?
C11A C12A C7A 118.1(5) . . ?
C11A C12A C16A 119.4(4) . . ?
C7A C12A C16A 122.5(3) . . ?
C8A C13A C14A 112.7(4) . . ?
C8A C13A C15A 111.7(4) . . ?
C14A C13A C15A 110.9(4) . . ?
C17A C16A C18A 109.8(4) . . ?
C17A C16A C12A 112.4(4) . . ?
C18A C16A C12A 112.3(5) . . ?
C22A C21A C25A 108.1(4) . . ?
C22A C21A Fe1A 70.3(2) . . ?
C25A C21A Fe1A 70.2(2) . . ?
C21A C22A C23A 108.2(4) . . ?
C21A C22A Fe1A 69.9(2) . . ?
C23A C22A Fe1A 70.1(2) . . ?
C22A C23A C24A 108.6(4) . . ?
C22A C23A Fe1A 70.2(2) . . ?
C24A C23A Fe1A 70.3(2) . . ?
C23A C24A C25A 107.7(3) . . ?
C23A C24A Fe1A 69.9(2) . . ?
C25A C24A Fe1A 69.8(2) . . ?
C21A C25A C24A 107.4(4) . . ?
C21A C25A Fe1A 69.6(2) . . ?
C24A C25A Fe1A 69.9(2) . . ?
O1C Li1B O1B 118.5(3) . . ?
O1C Li1B N1B 136.1(3) . . ?
O1B Li1B N1B 103.5(3) . . ?
O1C Li1B C1B 138.8(3) . . ?
O1B Li1B C1B 25.52(12) . . ?
N1B Li1B C1B 79.23(19) . . ?
O1C Li1B C1C 24.66(12) . . ?
O1B Li1B C1C 126.9(3) . . ?
N1B Li1B C1C 116.5(2) . . ?
C1B Li1B C1C 135.7(2) . . ?
O1C Li1B Li1A 84.2(2) . . ?
O1B Li1B Li1A 36.22(16) . . ?
N1B Li1B Li1A 139.3(3) . . ?
C1B Li1B Li1A 61.42(17) . . ?
C1C Li1B Li1A 99.8(2) . . ?
O1C Li1B Li1C 30.39(14) . . ?
O1B Li1B Li1C 95.8(2) . . ?
N1B Li1B Li1C 159.2(3) . . ?
C1B Li1B Li1C 120.8(2) . . ?
C1C Li1B Li1C 54.37(15) . . ?
Li1A Li1B Li1C 59.58(17) . . ?
C3B Fe1B C4B 40.87(13) . . ?
C3B Fe1B C2B 41.98(11) . . ?
C4B Fe1B C2B 69.04(12) . . ?
C3B Fe1B C23B 158.30(15) . . ?
C4B Fe1B C23B 122.31(16) . . ?
C2B Fe1B C23B 158.16(15) . . ?
C3B Fe1B C24B 123.39(14) . . ?
C4B Fe1B C24B 109.24(14) . . ?
C2B Fe1B C24B 159.74(14) . . ?
C23B Fe1B C24B 40.13(15) . . ?
C3B Fe1B C22B 159.80(15) . . ?
C4B Fe1B C22B 157.35(16) . . ?
C2B Fe1B C22B 121.89(14) . . ?
C23B Fe1B C22B 40.72(14) . . ?
C24B Fe1B C22B 67.72(15) . . ?
C3B Fe1B C21B 124.31(14) . . ?
C4B Fe1B C21B 161.45(15) . . ?
C2B Fe1B C21B 107.29(13) . . ?
C23B Fe1B C21B 67.91(15) . . ?
C24B Fe1B C21B 67.54(14) . . ?
C22B Fe1B C21B 40.17(14) . . ?
C3B Fe1B C25B 109.06(14) . . ?
C4B Fe1B C25B 125.69(14) . . ?
C2B Fe1B C25B 123.45(14) . . ?
C23B Fe1B C25B 67.53(15) . . ?
C24B Fe1B C25B 40.06(14) . . ?
C22B Fe1B C25B 67.46(14) . . ?
C21B Fe1B C25B 40.11(13) . . ?
C3B Fe1B C5B 68.34(13) . . ?
C4B Fe1B C5B 40.21(13) . . ?
C2B Fe1B C5B 67.96(13) . . ?
C23B Fe1B C5B 107.58(14) . . ?
C24B Fe1B C5B 124.61(14) . . ?
C22B Fe1B C5B 121.56(14) . . ?
C21B Fe1B C5B 156.84(13) . . ?
C25B Fe1B C5B 161.21(13) . . ?
C3B Fe1B C1B 68.62(12) . . ?
C4B Fe1B C1B 67.32(12) . . ?
C2B Fe1B C1B 40.51(12) . . ?
C23B Fe1B C1B 122.63(14) . . ?
C24B Fe1B C1B 158.97(14) . . ?
C22B Fe1B C1B 106.99(13) . . ?
C21B Fe1B C1B 122.45(12) . . ?
C25B Fe1B C1B 158.71(13) . . ?
C5B Fe1B C1B 39.34(11) . . ?
C1B O1B Li1A 133.7(3) . . ?
C1B O1B Li1B 117.7(2) . . ?
Li1A O1B Li1B 107.3(3) . . ?
C6B N1B C7B 117.7(2) . . ?
C6B N1B Li1B 116.3(3) . . ?
C7B N1B Li1B 125.8(2) . . ?
O1B C1B C5B 127.2(3) . . ?
O1B C1B C2B 126.3(3) . . ?
C5B C1B C2B 106.5(3) . . ?
O1B C1B Fe1B 129.52(19) . . ?
C5B C1B Fe1B 68.09(17) . . ?
C2B C1B Fe1B 65.85(15) . . ?
C5B C1B Li1B 163.3(3) . . ?
C2B C1B Li1B 89.8(2) . . ?
Fe1B C1B Li1B 123.89(16) . . ?
C6B C2B C3B 124.5(3) . . ?
C6B C2B C1B 127.2(3) . . ?
C3B C2B C1B 107.7(3) . . ?
C6B C2B Fe1B 117.02(19) . . ?
C3B C2B Fe1B 67.78(16) . . ?
C1B C2B Fe1B 73.64(16) . . ?
C4B C3B C2B 107.6(3) . . ?
C4B C3B Fe1B 70.70(18) . . ?
C2B C3B Fe1B 70.24(15) . . ?
C3B C4B C5B 108.7(3) . . ?
C3B C4B Fe1B 68.43(17) . . ?
C5B C4B Fe1B 71.78(18) . . ?
C4B C5B C1B 109.3(3) . . ?
C4B C5B Fe1B 68.01(19) . . ?
C1B C5B Fe1B 72.56(17) . . ?
N1B C6B C2B 125.1(3) . . ?
C8B C7B C12B 121.3(3) . . ?
C8B C7B N1B 117.4(3) . . ?
C12B C7B N1B 121.3(3) . . ?
C9B C8B C7B 118.0(3) . . ?
C9B C8B C13B 121.5(3) . . ?
C7B C8B C13B 120.5(3) . . ?
C10B C9B C8B 121.5(3) . . ?
C11B C10B C9B 119.8(3) . . ?
C10B C11B C12B 121.8(3) . . ?
C11B C12B C7B 117.6(3) . . ?
C11B C12B C16B 119.9(3) . . ?
C7B C12B C16B 122.5(3) . . ?
C14B C13B C15B 111.0(3) . . ?
C14B C13B C8B 110.7(3) . . ?
C15B C13B C8B 112.9(3) . . ?
C12B C16B C17B 112.6(3) . . ?
C12B C16B C18B 111.8(3) . . ?
C17B C16B C18B 109.9(3) . . ?
C22B C21B C25B 108.0(3) . . ?
C22B C21B Fe1B 69.53(19) . . ?
C25B C21B Fe1B 70.26(19) . . ?
C21B C22B C23B 107.8(3) . . ?
C21B C22B Fe1B 70.31(18) . . ?
C23B C22B Fe1B 69.31(19) . . ?
C24B C23B C22B 107.8(3) . . ?
C24B C23B Fe1B 70.2(2) . . ?
C22B C23B Fe1B 69.97(19) . . ?
C23B C24B C25B 108.6(3) . . ?
C23B C24B Fe1B 69.63(19) . . ?
C25B C24B Fe1B 70.71(19) . . ?
C24B C25B C21B 107.8(3) . . ?
C24B C25B Fe1B 69.2(2) . . ?
C21B C25B Fe1B 69.63(19) . . ?
O1A Li1C O1C 114.6(3) . . ?
O1A Li1C N1C 138.0(3) . . ?
O1C Li1C N1C 101.9(3) . . ?
O1A Li1C C1C 131.9(3) . . ?
O1C Li1C C1C 25.02(12) . . ?
N1C Li1C C1C 78.3(2) . . ?
O1A Li1C Li1A 34.29(16) . . ?
O1C Li1C Li1A 81.4(2) . . ?
N1C Li1C Li1A 150.3(3) . . ?
C1C Li1C Li1A 97.72(19) . . ?
O1A Li1C Li1B 86.5(2) . . ?
O1C Li1C Li1B 30.36(15) . . ?
N1C Li1C Li1B 132.2(3) . . ?
C1C Li1C Li1B 54.71(15) . . ?
Li1A Li1C Li1B 56.64(17) . . ?
C3C Fe1C C4C 41.14(13) . . ?
C3C Fe1C C22C 109.41(14) . . ?
C4C Fe1C C22C 118.99(14) . . ?
C3C Fe1C C24C 151.60(15) . . ?
C4C Fe1C C24C 165.64(15) . . ?
C22C Fe1C C24C 68.10(14) . . ?
C3C Fe1C C21C 129.80(14) . . ?
C4C Fe1C C21C 108.70(15) . . ?
C22C Fe1C C21C 40.43(13) . . ?
C24C Fe1C C21C 67.80(15) . . ?
C3C Fe1C C25C 167.37(14) . . ?
C4C Fe1C C25C 128.17(15) . . ?
C22C Fe1C C25C 68.14(15) . . ?
C24C Fe1C C25C 40.25(14) . . ?
C21C Fe1C C25C 40.45(14) . . ?
C3C Fe1C C23C 119.37(14) . . ?
C4C Fe1C C23C 152.95(15) . . ?
C22C Fe1C C23C 40.34(13) . . ?
C24C Fe1C C23C 40.10(14) . . ?
C21C Fe1C C23C 67.43(15) . . ?
C25C Fe1C C23C 67.41(15) . . ?
C3C Fe1C C2C 41.56(11) . . ?
C4C Fe1C C2C 68.70(12) . . ?
C22C Fe1C C2C 130.93(13) . . ?
C24C Fe1C C2C 117.32(13) . . ?
C21C Fe1C C2C 169.36(14) . . ?
C25C Fe1C C2C 149.24(14) . . ?
C23C Fe1C C2C 109.86(14) . . ?
C3C Fe1C C5C 68.50(14) . . ?
C4C Fe1C C5C 40.27(13) . . ?
C22C Fe1C C5C 151.36(13) . . ?
C24C Fe1C C5C 127.74(14) . . ?
C21C Fe1C C5C 117.60(14) . . ?
C25C Fe1C C5C 107.33(15) . . ?
C23C Fe1C C5C 166.13(13) . . ?
C2C Fe1C C5C 67.60(12) . . ?
C3C Fe1C C1C 68.60(13) . . ?
C4C Fe1C C1C 67.41(13) . . ?
C22C Fe1C C1C 168.68(13) . . ?
C24C Fe1C C1C 108.00(13) . . ?
C21C Fe1C C1C 149.28(14) . . ?
C25C Fe1C C1C 116.31(14) . . ?
C23C Fe1C C1C 130.03(13) . . ?
C2C Fe1C C1C 40.33(12) . . ?
C5C Fe1C C1C 39.36(12) . . ?
C1C O1C Li1B 119.7(2) . . ?
C1C O1C Li1C 118.7(2) . . ?
Li1B O1C Li1C 119.3(3) . . ?
C6C N1C C7C 117.1(2) . . ?
C6C N1C Li1C 118.0(2) . . ?
C7C N1C Li1C 124.8(2) . . ?
O1C C1C C5C 127.4(3) . . ?
O1C C1C C2C 126.3(3) . . ?
C5C C1C C2C 106.2(3) . . ?
O1C C1C Fe1C 130.0(2) . . ?
C5C C1C Fe1C 67.49(18) . . ?
C2C C1C Fe1C 66.73(16) . . ?
C5C C1C Li1C 161.5(3) . . ?
C2C C1C Li1C 90.8(2) . . ?
Fe1C C1C Li1C 127.70(17) . . ?
C5C C1C Li1B 91.9(2) . . ?
C2C C1C Li1B 161.7(2) . . ?
Fe1C C1C Li1B 124.37(17) . . ?
Li1C C1C Li1B 70.92(17) . . ?
C3C C2C C6C 125.2(3) . . ?
C3C C2C C1C 108.0(3) . . ?
C6C C2C C1C 126.7(3) . . ?
C3C C2C Fe1C 67.29(17) . . ?
C6C C2C Fe1C 123.4(2) . . ?
C1C C2C Fe1C 72.94(17) . . ?
C4C C3C C2C 107.5(3) . . ?
C4C C3C Fe1C 70.34(19) . . ?
C2C C3C Fe1C 71.15(16) . . ?
C5C C4C C3C 108.3(3) . . ?
C5C C4C Fe1C 71.28(18) . . ?
C3C C4C Fe1C 68.52(17) . . ?
C4C C5C C1C 109.9(3) . . ?
C4C C5C Fe1C 68.45(19) . . ?
C1C C5C Fe1C 73.15(17) . . ?
N1C C6C C2C 124.6(3) . . ?
C12C C7C C8C 122.0(3) . . ?
C12C C7C N1C 119.8(3) . . ?
C8C C7C N1C 118.2(3) . . ?
C9C C8C C7C 117.5(3) . . ?
C9C C8C C13C 120.9(4) . . ?
C7C C8C C13C 121.5(3) . . ?
C10C C9C C8C 121.8(4) . . ?
C9C C10C C11C 120.0(4) . . ?
C10C C11C C12C 121.3(4) . . ?
C7C C12C C11C 117.3(4) . . ?
C7C C12C C16C 122.0(3) . . ?
C11C C12C C16C 120.6(3) . . ?
C8C C13C C15C 113.0(3) . . ?
C8C C13C C14C 109.7(4) . . ?
C15C C13C C14C 111.7(3) . . ?
C12C C16C C17C 109.4(4) . . ?
C12C C16C C18C 113.0(4) . . ?
C17C C16C C18C 110.6(5) . . ?
C22C C21C C25C 108.3(3) . . ?
C22C C21C Fe1C 69.7(2) . . ?
C25C C21C Fe1C 70.0(2) . . ?
C23C C22C C21C 107.3(3) . . ?
C23C C22C Fe1C 70.19(18) . . ?
C21C C22C Fe1C 69.90(19) . . ?
C24C C23C C22C 108.7(3) . . ?
C24C C23C Fe1C 69.62(19) . . ?
C22C C23C Fe1C 69.47(19) . . ?
C23C C24C C25C 108.1(3) . . ?
C23C C24C Fe1C 70.27(19) . . ?
C25C C24C Fe1C 70.2(2) . . ?
C24C C25C C21C 107.7(3) . . ?
C24C C25C Fe1C 69.6(2) . . ?
C21C C25C Fe1C 69.6(2) . . ?
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
Li1A O1B 1.823(6) . ?
Li1A O1A 1.850(5) . ?
Li1A N1A 2.024(6) . ?
Li1A C1A 2.634(6) . ?
Li1A Li1B 2.944(8) . ?
Li1A Li1C 3.040(8) . ?
Fe1A C3A 2.025(3) . ?
Fe1A C21A 2.028(4) . ?
Fe1A C23A 2.031(3) . ?
Fe1A C2A 2.032(3) . ?
Fe1A C22A 2.033(4) . ?
Fe1A C25A 2.036(4) . ?
Fe1A C24A 2.038(3) . ?
Fe1A C4A 2.040(3) . ?
Fe1A C5A 2.067(3) . ?
Fe1A C1A 2.109(3) . ?
O1A C1A 1.307(3) . ?
O1A Li1C 1.812(6) . ?
N1A C6A 1.278(4) . ?
N1A C7A 1.429(4) . ?
C1A C5A 1.419(4) . ?
C1A C2A 1.454(4) . ?
C2A C3A 1.433(4) . ?
C2A C6A 1.445(4) . ?
C3A C4A 1.413(4) . ?
C4A C5A 1.425(4) . ?
C7A C8A 1.399(5) . ?
C7A C12A 1.399(5) . ?
C8A C9A 1.397(5) . ?
C8A C13A 1.507(6) . ?
C9A C10A 1.369(8) . ?
C10A C11A 1.368(8) . ?
C11A C12A 1.372(6) . ?
C12A C16A 1.537(6) . ?
C13A C14A 1.522(6) . ?
C13A C15A 1.523(6) . ?
C16A C17A 1.495(7) . ?
C16A C18A 1.513(6) . ?
C21A C22A 1.382(6) . ?
C21A C25A 1.400(5) . ?
C22A C23A 1.382(6) . ?
C23A C24A 1.385(6) . ?
C24A C25A 1.401(5) . ?
Li1B O1C 1.832(6) . ?
Li1B O1B 1.832(6) . ?
Li1B N1B 2.015(6) . ?
Li1B C1B 2.707(6) . ?
Li1B C1C 2.731(6) . ?
Li1B Li1C 3.162(8) . ?
Fe1B C3B 1.997(3) . ?
Fe1B C4B 2.027(3) . ?
Fe1B C2B 2.031(3) . ?
Fe1B C23B 2.031(3) . ?
Fe1B C24B 2.039(3) . ?
Fe1B C22B 2.040(3) . ?
Fe1B C21B 2.050(3) . ?
Fe1B C25B 2.058(3) . ?
Fe1B C5B 2.076(3) . ?
Fe1B C1B 2.135(3) . ?
O1B C1B 1.317(3) . ?
N1B C6B 1.281(3) . ?
N1B C7B 1.425(4) . ?
C1B C5B 1.419(4) . ?
C1B C2B 1.445(4) . ?
C2B C6B 1.430(4) . ?
C2B C3B 1.443(4) . ?
C3B C4B 1.405(5) . ?
C4B C5B 1.411(5) . ?
C7B C8B 1.405(4) . ?
C7B C12B 1.412(4) . ?
C8B C9B 1.394(5) . ?
C8B C13B 1.531(4) . ?
C9B C10B 1.376(5) . ?
C10B C11B 1.373(5) . ?
C11B C12B 1.394(4) . ?
C12B C16B 1.520(4) . ?
C13B C14B 1.523(5) . ?
C13B C15B 1.524(4) . ?
C16B C17B 1.531(5) . ?
C16B C18B 1.540(5) . ?
C21B C22B 1.404(5) . ?
C21B C25B 1.409(5) . ?
C22B C23B 1.416(5) . ?
C23B C24B 1.396(5) . ?
C24B C25B 1.403(5) . ?
Li1C O1C 1.833(6) . ?
Li1C N1C 2.019(6) . ?
Li1C C1C 2.720(6) . ?
Fe1C C3C 2.003(3) . ?
Fe1C C4C 2.027(3) . ?
Fe1C C22C 2.041(3) . ?
Fe1C C24C 2.042(3) . ?
Fe1C C21C 2.044(3) . ?
Fe1C C25C 2.050(3) . ?
Fe1C C23C 2.050(3) . ?
Fe1C C2C 2.054(3) . ?
Fe1C C5C 2.064(3) . ?
Fe1C C1C 2.138(3) . ?
O1C C1C 1.312(4) . ?
N1C C6C 1.269(4) . ?
N1C C7C 1.447(4) . ?
C1C C5C 1.417(4) . ?
C1C C2C 1.447(4) . ?
C2C C3C 1.440(4) . ?
C2C C6C 1.446(4) . ?
C3C C4C 1.416(5) . ?
C4C C5C 1.408(5) . ?
C7C C12C 1.387(4) . ?
C7C C8C 1.395(5) . ?
C8C C9C 1.388(5) . ?
C8C C13C 1.524(5) . ?
C9C C10C 1.357(6) . ?
C10C C11C 1.368(6) . ?
C11C C12C 1.404(5) . ?
C12C C16C 1.513(5) . ?
C13C C15C 1.526(6) . ?
C13C C14C 1.534(6) . ?
C16C C17C 1.522(7) . ?
C16C C18C 1.527(6) . ?
C21C C22C 1.411(5) . ?
C21C C25C 1.415(5) . ?
C22C C23C 1.411(5) . ?
C23C C24C 1.403(5) . ?
C24C C25C 1.408(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1B Li1A O1A C1A -139.2(4) . . . . ?
N1A Li1A O1A C1A 39.9(3) . . . . ?
Li1B Li1A O1A C1A -152.7(2) . . . . ?
Li1C Li1A O1A C1A 177.9(4) . . . . ?
O1B Li1A O1A Li1C 42.9(5) . . . . ?
N1A Li1A O1A Li1C -138.0(3) . . . . ?
C1A Li1A O1A Li1C -177.9(4) . . . . ?
Li1B Li1A O1A Li1C 29.4(3) . . . . ?
O1B Li1A N1A C6A 154.9(4) . . . . ?
O1A Li1A N1A C6A -24.1(4) . . . . ?
C1A Li1A N1A C6A -6.6(3) . . . . ?
Li1B Li1A N1A C6A -159.7(8) . . . . ?
Li1C Li1A N1A C6A -50.4(4) . . . . ?
O1B Li1A N1A C7A -31.8(6) . . . . ?
O1A Li1A N1A C7A 149.2(3) . . . . ?
C1A Li1A N1A C7A 166.7(2) . . . . ?
Li1B Li1A N1A C7A 13.6(11) . . . . ?
Li1C Li1A N1A C7A 122.8(3) . . . . ?
Li1C O1A C1A C5A -38.1(5) . . . . ?
Li1A O1A C1A C5A 144.8(3) . . . . ?
Li1C O1A C1A C2A 142.5(4) . . . . ?
Li1A O1A C1A C2A -34.7(4) . . . . ?
Li1C O1A C1A Fe1A -129.1(3) . . . . ?
Li1A O1A C1A Fe1A 53.7(3) . . . . ?
Li1C O1A C1A Li1A 177.2(5) . . . . ?
C3A Fe1A C1A O1A -158.3(3) . . . . ?
C21A Fe1A C1A O1A -20.6(3) . . . . ?
C2A Fe1A C1A O1A -119.6(3) . . . . ?
C22A Fe1A C1A O1A -56.9(4) . . . . ?
C25A Fe1A C1A O1A 22.6(3) . . . . ?
C24A Fe1A C1A O1A 58.0(4) . . . . ?
C4A Fe1A C1A O1A 157.9(3) . . . . ?
C5A Fe1A C1A O1A 120.6(3) . . . . ?
C3A Fe1A C1A C5A 81.13(19) . . . . ?
C21A Fe1A C1A C5A -141.2(2) . . . . ?
C2A Fe1A C1A C5A 119.8(2) . . . . ?
C22A Fe1A C1A C5A -177.5(2) . . . . ?
C25A Fe1A C1A C5A -98.0(2) . . . . ?
C24A Fe1A C1A C5A -62.6(3) . . . . ?
C4A Fe1A C1A C5A 37.25(18) . . . . ?
C3A Fe1A C1A C2A -38.66(17) . . . . ?
C21A Fe1A C1A C2A 99.0(2) . . . . ?
C22A Fe1A C1A C2A 62.7(3) . . . . ?
C25A Fe1A C1A C2A 142.21(19) . . . . ?
C24A Fe1A C1A C2A 177.6(2) . . . . ?
C4A Fe1A C1A C2A -82.54(18) . . . . ?
C5A Fe1A C1A C2A -119.8(2) . . . . ?
C3A Fe1A C1A Li1A -125.98(18) . . . . ?
C21A Fe1A C1A Li1A 11.6(2) . . . . ?
C2A Fe1A C1A Li1A -87.3(2) . . . . ?
C22A Fe1A C1A Li1A -24.6(3) . . . . ?
C25A Fe1A C1A Li1A 54.9(2) . . . . ?
C24A Fe1A C1A Li1A 90.3(3) . . . . ?
C4A Fe1A C1A Li1A -169.86(19) . . . . ?
C5A Fe1A C1A Li1A 152.9(3) . . . . ?
O1B Li1A C1A O1A 63.4(5) . . . . ?
N1A Li1A C1A O1A -140.1(3) . . . . ?
Li1B Li1A C1A O1A 30.8(3) . . . . ?
Li1C Li1A C1A O1A -1.3(2) . . . . ?
O1B Li1A C1A C5A -13.6(9) . . . . ?
O1A Li1A C1A C5A -77.0(6) . . . . ?
N1A Li1A C1A C5A 142.9(5) . . . . ?
Li1B Li1A C1A C5A -46.2(6) . . . . ?
Li1C Li1A C1A C5A -78.4(5) . . . . ?
O1B Li1A C1A C2A -143.6(5) . . . . ?
O1A Li1A C1A C2A 153.0(3) . . . . ?
N1A Li1A C1A C2A 12.9(2) . . . . ?
Li1B Li1A C1A C2A -176.2(3) . . . . ?
Li1C Li1A C1A C2A 151.6(2) . . . . ?
O1B Li1A C1A Fe1A -77.0(5) . . . . ?
O1A Li1A C1A Fe1A -140.5(3) . . . . ?
N1A Li1A C1A Fe1A 79.44(19) . . . . ?
Li1B Li1A C1A Fe1A -109.6(2) . . . . ?
Li1C Li1A C1A Fe1A -141.82(18) . . . . ?
O1A C1A C2A C3A -177.7(3) . . . . ?
C5A C1A C2A C3A 2.8(3) . . . . ?
Fe1A C1A C2A C3A 60.1(2) . . . . ?
Li1A C1A C2A C3A 160.5(2) . . . . ?
O1A C1A C2A C6A 1.9(5) . . . . ?
C5A C1A C2A C6A -177.6(3) . . . . ?
Fe1A C1A C2A C6A -120.3(3) . . . . ?
Li1A C1A C2A C6A -19.8(3) . . . . ?
O1A C1A C2A Fe1A 122.2(3) . . . . ?
C5A C1A C2A Fe1A -57.28(19) . . . . ?
Li1A C1A C2A Fe1A 100.48(16) . . . . ?
C21A Fe1A C2A C3A 144.7(2) . . . . ?
C23A Fe1A C2A C3A 66.5(3) . . . . ?
C22A Fe1A C2A C3A 102.1(2) . . . . ?
C25A Fe1A C2A C3A -179.6(2) . . . . ?
C4A Fe1A C2A C3A -37.70(19) . . . . ?
C5A Fe1A C2A C3A -81.48(19) . . . . ?
C1A Fe1A C2A C3A -118.2(2) . . . . ?
C3A Fe1A C2A C6A -120.4(3) . . . . ?
C21A Fe1A C2A C6A 24.3(3) . . . . ?
C23A Fe1A C2A C6A -53.9(4) . . . . ?
C22A Fe1A C2A C6A -18.3(3) . . . . ?
C25A Fe1A C2A C6A 60.0(4) . . . . ?
C4A Fe1A C2A C6A -158.1(3) . . . . ?
C5A Fe1A C2A C6A 158.1(3) . . . . ?
C1A Fe1A C2A C6A 121.4(3) . . . . ?
C3A Fe1A C2A C1A 118.2(2) . . . . ?
C21A Fe1A C2A C1A -97.1(2) . . . . ?
C23A Fe1A C2A C1A -175.3(2) . . . . ?
C22A Fe1A C2A C1A -139.7(2) . . . . ?
C25A Fe1A C2A C1A -61.5(3) . . . . ?
C4A Fe1A C2A C1A 80.45(18) . . . . ?
C5A Fe1A C2A C1A 36.67(16) . . . . ?
C6A C2A C3A C4A 178.3(3) . . . . ?
C1A C2A C3A C4A -2.1(4) . . . . ?
Fe1A C2A C3A C4A 60.0(2) . . . . ?
C6A C2A C3A Fe1A 118.3(3) . . . . ?
C1A C2A C3A Fe1A -62.1(2) . . . . ?
C21A Fe1A C3A C4A -176.9(3) . . . . ?
C23A Fe1A C3A C4A 102.8(2) . . . . ?
C2A Fe1A C3A C4A -118.9(3) . . . . ?
C22A Fe1A C3A C4A 146.0(2) . . . . ?
C24A Fe1A C3A C4A 65.2(3) . . . . ?
C5A Fe1A C3A C4A -37.75(18) . . . . ?
C1A Fe1A C3A C4A -80.54(19) . . . . ?
C21A Fe1A C3A C2A -58.0(3) . . . . ?
C23A Fe1A C3A C2A -138.3(2) . . . . ?
C22A Fe1A C3A C2A -95.0(2) . . . . ?
C24A Fe1A C3A C2A -175.9(2) . . . . ?
C4A Fe1A C3A C2A 118.9(3) . . . . ?
C5A Fe1A C3A C2A 81.19(18) . . . . ?
C1A Fe1A C3A C2A 38.40(17) . . . . ?
C2A C3A C4A C5A 0.7(4) . . . . ?
Fe1A C3A C4A C5A 60.2(2) . . . . ?
C2A C3A C4A Fe1A -59.6(2) . . . . ?
C23A Fe1A C4A C3A -95.8(2) . . . . ?
C2A Fe1A C4A C3A 38.32(18) . . . . ?
C22A Fe1A C4A C3A -57.7(3) . . . . ?
C25A Fe1A C4A C3A -178.9(2) . . . . ?
C24A Fe1A C4A C3A -139.5(2) . . . . ?
C5A Fe1A C4A C3A 119.1(3) . . . . ?
C1A Fe1A C4A C3A 82.62(19) . . . . ?
C3A Fe1A C4A C5A -119.1(3) . . . . ?
C23A Fe1A C4A C5A 145.1(2) . . . . ?
C2A Fe1A C4A C5A -80.75(18) . . . . ?
C22A Fe1A C4A C5A -176.8(2) . . . . ?
C25A Fe1A C4A C5A 62.1(3) . . . . ?
C24A Fe1A C4A C5A 101.4(2) . . . . ?
C1A Fe1A C4A C5A -36.45(17) . . . . ?
O1A C1A C5A C4A 178.1(3) . . . . ?
C2A C1A C5A C4A -2.4(3) . . . . ?
Fe1A C1A C5A C4A -58.5(2) . . . . ?
Li1A C1A C5A C4A -129.5(5) . . . . ?
O1A C1A C5A Fe1A -123.5(3) . . . . ?
C2A C1A C5A Fe1A 56.07(19) . . . . ?
Li1A C1A C5A Fe1A -71.0(5) . . . . ?
C3A C4A C5A C1A 1.1(4) . . . . ?
Fe1A C4A C5A C1A 60.3(2) . . . . ?
C3A C4A C5A Fe1A -59.2(2) . . . . ?
C3A Fe1A C5A C1A -82.57(18) . . . . ?
C21A Fe1A C5A C1A 59.7(3) . . . . ?
C23A Fe1A C5A C1A 178.9(3) . . . . ?
C2A Fe1A C5A C1A -37.88(17) . . . . ?
C25A Fe1A C5A C1A 98.5(2) . . . . ?
C24A Fe1A C5A C1A 142.3(2) . . . . ?
C4A Fe1A C5A C1A -120.4(3) . . . . ?
C3A Fe1A C5A C4A 37.81(17) . . . . ?
C21A Fe1A C5A C4A -179.9(2) . . . . ?
C23A Fe1A C5A C4A -60.7(3) . . . . ?
C2A Fe1A C5A C4A 82.51(19) . . . . ?
C25A Fe1A C5A C4A -141.1(2) . . . . ?
C24A Fe1A C5A C4A -97.3(2) . . . . ?
C1A Fe1A C5A C4A 120.4(3) . . . . ?
C7A N1A C6A C2A -175.7(3) . . . . ?
Li1A N1A C6A C2A -2.4(4) . . . . ?
C3A C2A C6A N1A -160.5(3) . . . . ?
C1A C2A C6A N1A 20.0(5) . . . . ?
Fe1A C2A C6A N1A -72.3(4) . . . . ?
C6A N1A C7A C8A 109.9(4) . . . . ?
Li1A N1A C7A C8A -63.1(4) . . . . ?
C6A N1A C7A C12A -76.3(4) . . . . ?
Li1A N1A C7A C12A 110.7(4) . . . . ?
C12A C7A C8A C9A -1.6(6) . . . . ?
N1A C7A C8A C9A 172.2(3) . . . . ?
C12A C7A C8A C13A 178.9(4) . . . . ?
N1A C7A C8A C13A -7.3(5) . . . . ?
C7A C8A C9A C10A 1.4(7) . . . . ?
C13A C8A C9A C10A -179.1(5) . . . . ?
C8A C9A C10A C11A -0.3(8) . . . . ?
C9A C10A C11A C12A -0.6(8) . . . . ?
C10A C11A C12A C7A 0.4(7) . . . . ?
C10A C11A C12A C16A 179.6(5) . . . . ?
C8A C7A C12A C11A 0.7(6) . . . . ?
N1A C7A C12A C11A -172.8(4) . . . . ?
C8A C7A C12A C16A -178.5(4) . . . . ?
N1A C7A C12A C16A 8.0(6) . . . . ?
C9A C8A C13A C14A 55.5(6) . . . . ?
C7A C8A C13A C14A -125.0(4) . . . . ?
C9A C8A C13A C15A -70.2(5) . . . . ?
C7A C8A C13A C15A 109.3(4) . . . . ?
C11A C12A C16A C17A -73.4(6) . . . . ?
C7A C12A C16A C17A 105.7(5) . . . . ?
C11A C12A C16A C18A 51.0(6) . . . . ?
C7A C12A C16A C18A -129.9(5) . . . . ?
C3A Fe1A C21A C22A -60.2(3) . . . . ?
C23A Fe1A C21A C22A 37.4(2) . . . . ?
C2A Fe1A C21A C22A -97.0(2) . . . . ?
C25A Fe1A C21A C22A 118.7(3) . . . . ?
C24A Fe1A C21A C22A 80.8(3) . . . . ?
C5A Fe1A C21A C22A -177.0(2) . . . . ?
C1A Fe1A C21A C22A -141.0(2) . . . . ?
C3A Fe1A C21A C25A -178.9(2) . . . . ?
C23A Fe1A C21A C25A -81.3(3) . . . . ?
C2A Fe1A C21A C25A 144.3(2) . . . . ?
C22A Fe1A C21A C25A -118.7(3) . . . . ?
C24A Fe1A C21A C25A -38.0(2) . . . . ?
C5A Fe1A C21A C25A 64.3(3) . . . . ?
C1A Fe1A C21A C25A 100.3(2) . . . . ?
C25A C21A C22A C23A 0.4(4) . . . . ?
Fe1A C21A C22A C23A -59.9(3) . . . . ?
C25A C21A C22A Fe1A 60.2(3) . . . . ?
C3A Fe1A C22A C21A 143.1(2) . . . . ?
C23A Fe1A C22A C21A -119.1(4) . . . . ?
C2A Fe1A C22A C21A 98.6(2) . . . . ?
C25A Fe1A C22A C21A -38.0(2) . . . . ?
C24A Fe1A C22A C21A -81.8(3) . . . . ?
C4A Fe1A C22A C21A 179.9(2) . . . . ?
C1A Fe1A C22A C21A 60.1(3) . . . . ?
C3A Fe1A C22A C23A -97.8(3) . . . . ?
C21A Fe1A C22A C23A 119.1(4) . . . . ?
C2A Fe1A C22A C23A -142.3(3) . . . . ?
C25A Fe1A C22A C23A 81.1(3) . . . . ?
C24A Fe1A C22A C23A 37.3(3) . . . . ?
C4A Fe1A C22A C23A -61.0(4) . . . . ?
C1A Fe1A C22A C23A 179.2(2) . . . . ?
C21A C22A C23A C24A -0.3(5) . . . . ?
Fe1A C22A C23A C24A -60.1(3) . . . . ?
C21A C22A C23A Fe1A 59.8(3) . . . . ?
C3A Fe1A C23A C22A 99.6(3) . . . . ?
C21A Fe1A C23A C22A -37.4(3) . . . . ?
C2A Fe1A C23A C22A 58.6(4) . . . . ?
C25A Fe1A C23A C22A -81.4(3) . . . . ?
C24A Fe1A C23A C22A -119.3(4) . . . . ?
C4A Fe1A C23A C22A 144.1(3) . . . . ?
C5A Fe1A C23A C22A -177.2(3) . . . . ?
C3A Fe1A C23A C24A -141.1(2) . . . . ?
C21A Fe1A C23A C24A 81.9(3) . . . . ?
C2A Fe1A C23A C24A 178.0(2) . . . . ?
C22A Fe1A C23A C24A 119.3(4) . . . . ?
C25A Fe1A C23A C24A 38.0(2) . . . . ?
C4A Fe1A C23A C24A -96.6(3) . . . . ?
C5A Fe1A C23A C24A -57.9(4) . . . . ?
C22A C23A C24A C25A 0.1(5) . . . . ?
Fe1A C23A C24A C25A -59.9(3) . . . . ?
C22A C23A C24A Fe1A 59.9(3) . . . . ?
C3A Fe1A C24A C23A 61.9(3) . . . . ?
C21A Fe1A C24A C23A -80.6(3) . . . . ?
C22A Fe1A C24A C23A -37.3(3) . . . . ?
C25A Fe1A C24A C23A -118.6(4) . . . . ?
C4A Fe1A C24A C23A 101.9(3) . . . . ?
C5A Fe1A C24A C23A 146.4(3) . . . . ?
C1A Fe1A C24A C23A -175.1(3) . . . . ?
C3A Fe1A C24A C25A -179.5(2) . . . . ?
C21A Fe1A C24A C25A 38.0(2) . . . . ?
C23A Fe1A C24A C25A 118.6(4) . . . . ?
C22A Fe1A C24A C25A 81.3(3) . . . . ?
C4A Fe1A C24A C25A -139.5(2) . . . . ?
C5A Fe1A C24A C25A -95.0(3) . . . . ?
C1A Fe1A C24A C25A -56.5(3) . . . . ?
C22A C21A C25A C24A -0.3(4) . . . . ?
Fe1A C21A C25A C24A 60.0(3) . . . . ?
C22A C21A C25A Fe1A -60.3(3) . . . . ?
C23A C24A C25A C21A 0.1(4) . . . . ?
Fe1A C24A C25A C21A -59.7(2) . . . . ?
C23A C24A C25A Fe1A 59.9(3) . . . . ?
C23A Fe1A C25A C21A 80.8(3) . . . . ?
C2A Fe1A C25A C21A -57.4(3) . . . . ?
C22A Fe1A C25A C21A 37.5(2) . . . . ?
C24A Fe1A C25A C21A 118.4(4) . . . . ?
C4A Fe1A C25A C21A -176.9(2) . . . . ?
C5A Fe1A C25A C21A -138.7(2) . . . . ?
C1A Fe1A C25A C21A -95.8(3) . . . . ?
C21A Fe1A C25A C24A -118.4(4) . . . . ?
C23A Fe1A C25A C24A -37.6(2) . . . . ?
C2A Fe1A C25A C24A -175.8(2) . . . . ?
C22A Fe1A C25A C24A -80.9(3) . . . . ?
C4A Fe1A C25A C24A 64.7(3) . . . . ?
C5A Fe1A C25A C24A 102.9(3) . . . . ?
C1A Fe1A C25A C24A 145.8(2) . . . . ?
O1B Li1A Li1B O1C 161.9(4) . . . . ?
O1A Li1A Li1B O1C -36.5(3) . . . . ?
N1A Li1A Li1B O1C 100.0(9) . . . . ?
C1A Li1A Li1B O1C -50.2(3) . . . . ?
Li1C Li1A Li1B O1C -18.92(17) . . . . ?
O1A Li1A Li1B O1B 161.6(4) . . . . ?
N1A Li1A Li1B O1B -61.9(9) . . . . ?
C1A Li1A Li1B O1B 148.0(4) . . . . ?
Li1C Li1A Li1B O1B 179.2(3) . . . . ?
O1B Li1A Li1B N1B -10.9(4) . . . . ?
O1A Li1A Li1B N1B 150.8(4) . . . . ?
N1A Li1A Li1B N1B -72.7(11) . . . . ?
C1A Li1A Li1B N1B 137.1(4) . . . . ?
Li1C Li1A Li1B N1B 168.4(4) . . . . ?
O1B Li1A Li1B C1B 5.50(17) . . . . ?
O1A Li1A Li1B C1B 167.1(3) . . . . ?
N1A Li1A Li1B C1B -56.4(9) . . . . ?
C1A Li1A Li1B C1B 153.5(3) . . . . ?
Li1C Li1A Li1B C1B -175.3(2) . . . . ?
O1B Li1A Li1B C1C 142.7(3) . . . . ?
O1A Li1A Li1B C1C -55.7(2) . . . . ?
N1A Li1A Li1B C1C 80.8(10) . . . . ?
C1A Li1A Li1B C1C -69.4(3) . . . . ?
Li1C Li1A Li1B C1C -38.12(17) . . . . ?
O1B Li1A Li1B Li1C -179.2(3) . . . . ?
O1A Li1A Li1B Li1C -17.58(19) . . . . ?
N1A Li1A Li1B Li1C 118.9(10) . . . . ?
C1A Li1A Li1B Li1C -31.2(2) . . . . ?
O1A Li1A O1B C1B 170.7(3) . . . . ?
N1A Li1A O1B C1B -8.1(6) . . . . ?
C1A Li1A O1B C1B 139.7(4) . . . . ?
Li1B Li1A O1B C1B -166.1(4) . . . . ?
Li1C Li1A O1B C1B -166.9(3) . . . . ?
O1A Li1A O1B Li1B -23.2(5) . . . . ?
N1A Li1A O1B Li1B 158.1(4) . . . . ?
C1A Li1A O1B Li1B -54.2(6) . . . . ?
Li1C Li1A O1B Li1B -0.7(3) . . . . ?
O1C Li1B O1B C1B 148.1(3) . . . . ?
N1B Li1B O1B C1B -18.5(4) . . . . ?
C1C Li1B O1B C1B 120.4(3) . . . . ?
Li1A Li1B O1B C1B 168.7(3) . . . . ?
Li1C Li1B O1B C1B 169.4(2) . . . . ?
O1C Li1B O1B Li1A -20.6(4) . . . . ?
N1B Li1B O1B Li1A 172.7(2) . . . . ?
C1B Li1B O1B Li1A -168.7(3) . . . . ?
C1C Li1B O1B Li1A -48.3(4) . . . . ?
Li1C Li1B O1B Li1A 0.7(3) . . . . ?
O1C Li1B N1B C6B -148.2(4) . . . . ?
O1B Li1B N1B C6B 14.8(4) . . . . ?
C1B Li1B N1B C6B 6.8(3) . . . . ?
C1C Li1B N1B C6B -129.2(3) . . . . ?
Li1A Li1B N1B C6B 21.3(5) . . . . ?
Li1C Li1B N1B C6B 172.1(7) . . . . ?
O1C Li1B N1B C7B 36.5(6) . . . . ?
O1B Li1B N1B C7B -160.5(2) . . . . ?
C1B Li1B N1B C7B -168.5(2) . . . . ?
C1C Li1B N1B C7B 55.5(4) . . . . ?
Li1A Li1B N1B C7B -153.9(3) . . . . ?
Li1C Li1B N1B C7B -3.2(9) . . . . ?
Li1A O1B C1B C5B -7.9(5) . . . . ?
Li1B O1B C1B C5B -172.9(3) . . . . ?
Li1A O1B C1B C2B 174.1(3) . . . . ?
Li1B O1B C1B C2B 9.0(4) . . . . ?
Li1A O1B C1B Fe1B -99.0(4) . . . . ?
Li1B O1B C1B Fe1B 96.0(3) . . . . ?
Li1A O1B C1B Li1B 165.0(5) . . . . ?
C3B Fe1B C1B O1B -157.6(3) . . . . ?
C4B Fe1B C1B O1B 158.1(3) . . . . ?
C2B Fe1B C1B O1B -118.1(3) . . . . ?
C23B Fe1B C1B O1B 43.3(3) . . . . ?
C24B Fe1B C1B O1B 73.4(5) . . . . ?
C22B Fe1B C1B O1B 1.5(3) . . . . ?
C21B Fe1B C1B O1B -39.7(3) . . . . ?
C25B Fe1B C1B O1B -69.9(5) . . . . ?
C5B Fe1B C1B O1B 120.9(4) . . . . ?
C3B Fe1B C1B C5B 81.5(2) . . . . ?
C4B Fe1B C1B C5B 37.3(2) . . . . ?
C2B Fe1B C1B C5B 121.1(2) . . . . ?
C23B Fe1B C1B C5B -77.6(2) . . . . ?
C24B Fe1B C1B C5B -47.5(4) . . . . ?
C22B Fe1B C1B C5B -119.4(2) . . . . ?
C21B Fe1B C1B C5B -160.6(2) . . . . ?
C25B Fe1B C1B C5B 169.3(3) . . . . ?
C3B Fe1B C1B C2B -39.58(17) . . . . ?
C4B Fe1B C1B C2B -83.81(18) . . . . ?
C23B Fe1B C1B C2B 161.33(19) . . . . ?
C24B Fe1B C1B C2B -168.5(3) . . . . ?
C22B Fe1B C1B C2B 119.52(19) . . . . ?
C21B Fe1B C1B C2B 78.3(2) . . . . ?
C25B Fe1B C1B C2B 48.2(4) . . . . ?
C5B Fe1B C1B C2B -121.1(2) . . . . ?
C3B Fe1B C1B Li1B -111.7(2) . . . . ?
C4B Fe1B C1B Li1B -156.0(2) . . . . ?
C2B Fe1B C1B Li1B -72.2(2) . . . . ?
C23B Fe1B C1B Li1B 89.2(2) . . . . ?
C24B Fe1B C1B Li1B 119.3(4) . . . . ?
C22B Fe1B C1B Li1B 47.4(2) . . . . ?
C21B Fe1B C1B Li1B 6.2(3) . . . . ?
C25B Fe1B C1B Li1B -24.0(4) . . . . ?
C5B Fe1B C1B Li1B 166.7(3) . . . . ?
O1C Li1B C1B O1B -44.8(4) . . . . ?
N1B Li1B C1B O1B 161.7(4) . . . . ?
C1C Li1B C1B O1B -81.2(4) . . . . ?
Li1A Li1B C1B O1B -7.6(2) . . . . ?
Li1C Li1B C1B O1B -12.3(2) . . . . ?
O1C Li1B C1B C5B -24.9(10) . . . . ?
O1B Li1B C1B C5B 19.9(8) . . . . ?
N1B Li1B C1B C5B -178.4(7) . . . . ?
C1C Li1B C1B C5B -61.3(9) . . . . ?
Li1A Li1B C1B C5B 12.3(8) . . . . ?
Li1C Li1B C1B C5B 7.6(9) . . . . ?
O1C Li1B C1B C2B 142.4(4) . . . . ?
O1B Li1B C1B C2B -172.7(3) . . . . ?
N1B Li1B C1B C2B -11.1(2) . . . . ?
C1C Li1B C1B C2B 106.0(3) . . . . ?
Li1A Li1B C1B C2B 179.7(2) . . . . ?
Li1C Li1B C1B C2B 175.0(3) . . . . ?
O1C Li1B C1B Fe1B -157.3(3) . . . . ?
O1B Li1B C1B Fe1B -112.4(3) . . . . ?
N1B Li1B C1B Fe1B 49.2(2) . . . . ?
C1C Li1B C1B Fe1B 166.3(2) . . . . ?
Li1A Li1B C1B Fe1B -120.0(2) . . . . ?
Li1C Li1B C1B Fe1B -124.7(2) . . . . ?
O1B C1B C2B C6B 10.6(5) . . . . ?
C5B C1B C2B C6B -167.8(3) . . . . ?
Fe1B C1B C2B C6B -111.8(3) . . . . ?
Li1B C1B C2B C6B 16.0(3) . . . . ?
O1B C1B C2B C3B -178.1(3) . . . . ?
C5B C1B C2B C3B 3.6(3) . . . . ?
Fe1B C1B C2B C3B 59.52(19) . . . . ?
Li1B C1B C2B C3B -172.7(2) . . . . ?
O1B C1B C2B Fe1B 122.4(3) . . . . ?
C5B C1B C2B Fe1B -55.97(19) . . . . ?
Li1B C1B C2B Fe1B 127.80(15) . . . . ?
C3B Fe1B C2B C6B -118.6(3) . . . . ?
C4B Fe1B C2B C6B -156.9(3) . . . . ?
C23B Fe1B C2B C6B 77.5(5) . . . . ?
C24B Fe1B C2B C6B -67.9(4) . . . . ?
C22B Fe1B C2B C6B 45.4(3) . . . . ?
C21B Fe1B C2B C6B 3.9(3) . . . . ?
C25B Fe1B C2B C6B -37.1(3) . . . . ?
C5B Fe1B C2B C6B 159.8(3) . . . . ?
C1B Fe1B C2B C6B 123.9(3) . . . . ?
C4B Fe1B C2B C3B -38.29(19) . . . . ?
C23B Fe1B C2B C3B -163.9(4) . . . . ?
C24B Fe1B C2B C3B 50.6(4) . . . . ?
C22B Fe1B C2B C3B 164.0(2) . . . . ?
C21B Fe1B C2B C3B 122.5(2) . . . . ?
C25B Fe1B C2B C3B 81.4(2) . . . . ?
C5B Fe1B C2B C3B -81.6(2) . . . . ?
C1B Fe1B C2B C3B -117.5(3) . . . . ?
C3B Fe1B C2B C1B 117.5(3) . . . . ?
C4B Fe1B C2B C1B 79.21(18) . . . . ?
C23B Fe1B C2B C1B -46.4(4) . . . . ?
C24B Fe1B C2B C1B 168.1(3) . . . . ?
C22B Fe1B C2B C1B -78.6(2) . . . . ?
C21B Fe1B C2B C1B -120.05(18) . . . . ?
C25B Fe1B C2B C1B -161.08(17) . . . . ?
C5B Fe1B C2B C1B 35.85(16) . . . . ?
C6B C2B C3B C4B 169.5(3) . . . . ?
C1B C2B C3B C4B -2.2(3) . . . . ?
Fe1B C2B C3B C4B 61.1(2) . . . . ?
C6B C2B C3B Fe1B 108.3(3) . . . . ?
C1B C2B C3B Fe1B -63.29(19) . . . . ?
C2B Fe1B C3B C4B -117.8(3) . . . . ?
C23B Fe1B C3B C4B 46.0(5) . . . . ?
C24B Fe1B C3B C4B 80.9(2) . . . . ?
C22B Fe1B C3B C4B -160.7(4) . . . . ?
C21B Fe1B C3B C4B 164.90(19) . . . . ?
C25B Fe1B C3B C4B 123.0(2) . . . . ?
C5B Fe1B C3B C4B -37.18(19) . . . . ?
C1B Fe1B C3B C4B -79.6(2) . . . . ?
C4B Fe1B C3B C2B 117.8(3) . . . . ?
C23B Fe1B C3B C2B 163.8(4) . . . . ?
C24B Fe1B C3B C2B -161.3(2) . . . . ?
C22B Fe1B C3B C2B -42.8(5) . . . . ?
C21B Fe1B C3B C2B -77.3(2) . . . . ?
C25B Fe1B C3B C2B -119.2(2) . . . . ?
C5B Fe1B C3B C2B 80.7(2) . . . . ?
C1B Fe1B C3B C2B 38.22(18) . . . . ?
C2B C3B C4B C5B -0.1(4) . . . . ?
Fe1B C3B C4B C5B 60.7(2) . . . . ?
C2B C3B C4B Fe1B -60.8(2) . . . . ?
C2B Fe1B C4B C3B 39.31(19) . . . . ?
C23B Fe1B C4B C3B -161.7(2) . . . . ?
C24B Fe1B C4B C3B -119.2(2) . . . . ?
C22B Fe1B C4B C3B 162.7(3) . . . . ?
C21B Fe1B C4B C3B -42.6(5) . . . . ?
C25B Fe1B C4B C3B -77.5(2) . . . . ?
C5B Fe1B C4B C3B 119.6(3) . . . . ?
C1B Fe1B C4B C3B 83.1(2) . . . . ?
C3B Fe1B C4B C5B -119.6(3) . . . . ?
C2B Fe1B C4B C5B -80.2(2) . . . . ?
C23B Fe1B C4B C5B 78.8(2) . . . . ?
C24B Fe1B C4B C5B 121.3(2) . . . . ?
C22B Fe1B C4B C5B 43.2(4) . . . . ?
C21B Fe1B C4B C5B -162.1(4) . . . . ?
C25B Fe1B C4B C5B 162.9(2) . . . . ?
C1B Fe1B C4B C5B -36.50(18) . . . . ?
C3B C4B C5B C1B 2.4(4) . . . . ?
Fe1B C4B C5B C1B 61.1(2) . . . . ?
C3B C4B C5B Fe1B -58.7(2) . . . . ?
O1B C1B C5B C4B 178.0(3) . . . . ?
C2B C1B C5B C4B -3.7(3) . . . . ?
Fe1B C1B C5B C4B -58.3(2) . . . . ?
Li1B C1B C5B C4B 163.1(7) . . . . ?
O1B C1B C5B Fe1B -123.8(3) . . . . ?
C2B C1B C5B Fe1B 54.60(18) . . . . ?
Li1B C1B C5B Fe1B -138.6(8) . . . . ?
C3B Fe1B C5B C4B 37.77(19) . . . . ?
C2B Fe1B C5B C4B 83.2(2) . . . . ?
C23B Fe1B C5B C4B -119.6(2) . . . . ?
C24B Fe1B C5B C4B -78.7(2) . . . . ?
C22B Fe1B C5B C4B -162.0(2) . . . . ?
C21B Fe1B C5B C4B 165.6(3) . . . . ?
C25B Fe1B C5B C4B -47.9(5) . . . . ?
C1B Fe1B C5B C4B 120.0(3) . . . . ?
C3B Fe1B C5B C1B -82.28(19) . . . . ?
C4B Fe1B C5B C1B -120.0(3) . . . . ?
C2B Fe1B C5B C1B -36.87(17) . . . . ?
C23B Fe1B C5B C1B 120.4(2) . . . . ?
C24B Fe1B C5B C1B 161.27(19) . . . . ?
C22B Fe1B C5B C1B 78.0(2) . . . . ?
C21B Fe1B C5B C1B 45.6(4) . . . . ?
C25B Fe1B C5B C1B -167.9(4) . . . . ?
C7B N1B C6B C2B 175.4(2) . . . . ?
Li1B N1B C6B C2B -0.3(4) . . . . ?
C3B C2B C6B N1B 174.9(3) . . . . ?
C1B C2B C6B N1B -15.2(4) . . . . ?
Fe1B C2B C6B N1B -104.6(3) . . . . ?
C6B N1B C7B C8B -114.5(3) . . . . ?
Li1B N1B C7B C8B 60.8(4) . . . . ?
C6B N1B C7B C12B 67.5(4) . . . . ?
Li1B N1B C7B C12B -117.2(3) . . . . ?
C12B C7B C8B C9B 0.0(5) . . . . ?
N1B C7B C8B C9B -178.0(3) . . . . ?
C12B C7B C8B C13B 179.0(3) . . . . ?
N1B C7B C8B C13B 1.0(4) . . . . ?
C7B C8B C9B C10B -0.6(5) . . . . ?
C13B C8B C9B C10B -179.7(3) . . . . ?
C8B C9B C10B C11B 0.8(5) . . . . ?
C9B C10B C11B C12B -0.2(5) . . . . ?
C10B C11B C12B C7B -0.4(5) . . . . ?
C10B C11B C12B C16B 178.8(3) . . . . ?
C8B C7B C12B C11B 0.5(5) . . . . ?
N1B C7B C12B C11B 178.4(3) . . . . ?
C8B C7B C12B C16B -178.7(3) . . . . ?
N1B C7B C12B C16B -0.7(4) . . . . ?
C9B C8B C13B C14B 81.2(4) . . . . ?
C7B C8B C13B C14B -97.9(4) . . . . ?
C9B C8B C13B C15B -43.9(4) . . . . ?
C7B C8B C13B C15B 137.0(3) . . . . ?
C11B C12B C16B C17B 68.8(4) . . . . ?
C7B C12B C16B C17B -112.0(4) . . . . ?
C11B C12B C16B C18B -55.4(4) . . . . ?
C7B C12B C16B C18B 123.7(3) . . . . ?
C3B Fe1B C21B C22B 162.4(2) . . . . ?
C4B Fe1B C21B C22B -165.2(4) . . . . ?
C2B Fe1B C21B C22B 119.3(2) . . . . ?
C23B Fe1B C21B C22B -38.1(2) . . . . ?
C24B Fe1B C21B C22B -81.6(2) . . . . ?
C25B Fe1B C21B C22B -118.9(3) . . . . ?
C5B Fe1B C21B C22B 45.1(4) . . . . ?
C1B Fe1B C21B C22B 77.5(2) . . . . ?
C3B Fe1B C21B C25B -78.7(2) . . . . ?
C4B Fe1B C21B C25B -46.3(5) . . . . ?
C2B Fe1B C21B C25B -121.8(2) . . . . ?
C23B Fe1B C21B C25B 80.9(2) . . . . ?
C24B Fe1B C21B C25B 37.4(2) . . . . ?
C22B Fe1B C21B C25B 118.9(3) . . . . ?
C5B Fe1B C21B C25B 164.0(3) . . . . ?
C1B Fe1B C21B C25B -163.56(19) . . . . ?
C25B C21B C22B C23B -0.6(4) . . . . ?
Fe1B C21B C22B C23B 59.4(2) . . . . ?
C25B C21B C22B Fe1B -60.0(2) . . . . ?
C3B Fe1B C22B C21B -46.4(5) . . . . ?
C4B Fe1B C22B C21B 167.8(3) . . . . ?
C2B Fe1B C22B C21B -78.8(2) . . . . ?
C23B Fe1B C22B C21B 118.9(3) . . . . ?
C24B Fe1B C22B C21B 81.1(2) . . . . ?
C25B Fe1B C22B C21B 37.6(2) . . . . ?
C5B Fe1B C22B C21B -160.9(2) . . . . ?
C1B Fe1B C22B C21B -120.5(2) . . . . ?
C3B Fe1B C22B C23B -165.3(4) . . . . ?
C4B Fe1B C22B C23B 49.0(5) . . . . ?
C2B Fe1B C22B C23B 162.3(2) . . . . ?
C24B Fe1B C22B C23B -37.8(2) . . . . ?
C21B Fe1B C22B C23B -118.9(3) . . . . ?
C25B Fe1B C22B C23B -81.3(2) . . . . ?
C5B Fe1B C22B C23B 80.2(3) . . . . ?
C1B Fe1B C22B C23B 120.6(2) . . . . ?
C21B C22B C23B C24B 0.3(4) . . . . ?
Fe1B C22B C23B C24B 60.3(2) . . . . ?
C21B C22B C23B Fe1B -60.0(2) . . . . ?
C3B Fe1B C23B C24B 47.8(5) . . . . ?
C4B Fe1B C23B C24B 81.6(3) . . . . ?
C2B Fe1B C23B C24B -162.3(3) . . . . ?
C22B Fe1B C23B C24B -118.5(3) . . . . ?
C21B Fe1B C23B C24B -80.9(2) . . . . ?
C25B Fe1B C23B C24B -37.4(2) . . . . ?
C5B Fe1B C23B C24B 123.3(2) . . . . ?
C1B Fe1B C23B C24B 163.8(2) . . . . ?
C3B Fe1B C23B C22B 166.3(4) . . . . ?
C4B Fe1B C23B C22B -159.9(2) . . . . ?
C2B Fe1B C23B C22B -43.8(5) . . . . ?
C24B Fe1B C23B C22B 118.5(3) . . . . ?
C21B Fe1B C23B C22B 37.6(2) . . . . ?
C25B Fe1B C23B C22B 81.1(2) . . . . ?
C5B Fe1B C23B C22B -118.3(2) . . . . ?
C1B Fe1B C23B C22B -77.8(2) . . . . ?
C22B C23B C24B C25B 0.1(4) . . . . ?
Fe1B C23B C24B C25B 60.2(2) . . . . ?
C22B C23B C24B Fe1B -60.2(2) . . . . ?
C3B Fe1B C24B C23B -160.8(2) . . . . ?
C4B Fe1B C24B C23B -117.7(2) . . . . ?
C2B Fe1B C24B C23B 160.9(3) . . . . ?
C22B Fe1B C24B C23B 38.3(2) . . . . ?
C21B Fe1B C24B C23B 81.9(2) . . . . ?
C25B Fe1B C24B C23B 119.3(3) . . . . ?
C5B Fe1B C24B C23B -75.6(3) . . . . ?
C1B Fe1B C24B C23B -41.0(5) . . . . ?
C3B Fe1B C24B C25B 79.9(2) . . . . ?
C4B Fe1B C24B C25B 123.0(2) . . . . ?
C2B Fe1B C24B C25B 41.6(5) . . . . ?
C23B Fe1B C24B C25B -119.3(3) . . . . ?
C22B Fe1B C24B C25B -81.0(2) . . . . ?
C21B Fe1B C24B C25B -37.4(2) . . . . ?
C5B Fe1B C24B C25B 165.14(19) . . . . ?
C1B Fe1B C24B C25B -160.3(3) . . . . ?
C23B C24B C25B C21B -0.5(4) . . . . ?
Fe1B C24B C25B C21B 59.1(2) . . . . ?
C23B C24B C25B Fe1B -59.6(2) . . . . ?
C22B C21B C25B C24B 0.7(4) . . . . ?
Fe1B C21B C25B C24B -58.9(2) . . . . ?
C22B C21B C25B Fe1B 59.5(2) . . . . ?
C3B Fe1B C25B C24B -119.6(2) . . . . ?
C4B Fe1B C25B C24B -77.1(3) . . . . ?
C2B Fe1B C25B C24B -164.01(19) . . . . ?
C23B Fe1B C25B C24B 37.5(2) . . . . ?
C22B Fe1B C25B C24B 81.7(2) . . . . ?
C21B Fe1B C25B C24B 119.4(3) . . . . ?
C5B Fe1B C25B C24B -41.0(5) . . . . ?
C1B Fe1B C25B C24B 160.5(3) . . . . ?
C3B Fe1B C25B C21B 121.0(2) . . . . ?
C4B Fe1B C25B C21B 163.6(2) . . . . ?
C2B Fe1B C25B C21B 76.6(2) . . . . ?
C23B Fe1B C25B C21B -81.9(2) . . . . ?
C24B Fe1B C25B C21B -119.4(3) . . . . ?
C22B Fe1B C25B C21B -37.7(2) . . . . ?
C5B Fe1B C25B C21B -160.3(4) . . . . ?
C1B Fe1B C25B C21B 41.1(4) . . . . ?
C1A O1A Li1C O1C 167.4(3) . . . . ?
Li1A O1A Li1C O1C -15.4(4) . . . . ?
C1A O1A Li1C N1C -44.6(7) . . . . ?
Li1A O1A Li1C N1C 132.6(4) . . . . ?
C1A O1A Li1C C1C -170.6(3) . . . . ?
Li1A O1A Li1C C1C 6.5(5) . . . . ?
C1A O1A Li1C Li1A -177.2(5) . . . . ?
C1A O1A Li1C Li1B 155.6(3) . . . . ?
Li1A O1A Li1C Li1B -27.2(3) . . . . ?
O1B Li1A Li1C O1A -146.4(4) . . . . ?
N1A Li1A Li1C O1A 52.3(3) . . . . ?
C1A Li1A Li1C O1A 1.12(19) . . . . ?
Li1B Li1A Li1C O1A -146.8(3) . . . . ?
O1B Li1A Li1C O1C 19.5(3) . . . . ?
O1A Li1A Li1C O1C 165.9(4) . . . . ?
N1A Li1A Li1C O1C -141.8(3) . . . . ?
C1A Li1A Li1C O1C 167.0(3) . . . . ?
Li1B Li1A Li1C O1C 19.02(18) . . . . ?
O1B Li1A Li1C N1C 118.5(5) . . . . ?
O1A Li1A Li1C N1C -95.2(6) . . . . ?
N1A Li1A Li1C N1C -42.9(7) . . . . ?
C1A Li1A Li1C N1C -94.0(6) . . . . ?
Li1B Li1A Li1C N1C 118.0(6) . . . . ?
O1B Li1A Li1C C1C 38.5(3) . . . . ?
O1A Li1A Li1C C1C -175.1(4) . . . . ?
N1A Li1A Li1C C1C -122.8(3) . . . . ?
C1A Li1A Li1C C1C -174.0(2) . . . . ?
Li1B Li1A Li1C C1C 38.07(18) . . . . ?
O1B Li1A Li1C Li1B 0.5(2) . . . . ?
O1A Li1A Li1C Li1B 146.8(3) . . . . ?
N1A Li1A Li1C Li1B -160.9(3) . . . . ?
C1A Li1A Li1C Li1B 148.0(2) . . . . ?
O1C Li1B Li1C O1A 158.4(4) . . . . ?
O1B Li1B Li1C O1A 17.5(3) . . . . ?
N1B Li1B Li1C O1A -140.3(7) . . . . ?
C1B Li1B Li1C O1A 22.8(3) . . . . ?
C1C Li1B Li1C O1A 149.5(3) . . . . ?
Li1A Li1B Li1C O1A 17.98(19) . . . . ?
O1B Li1B Li1C O1C -140.9(4) . . . . ?
N1B Li1B Li1C O1C 61.3(8) . . . . ?
C1B Li1B Li1C O1C -135.6(4) . . . . ?
C1C Li1B Li1C O1C -8.8(2) . . . . ?
Li1A Li1B Li1C O1C -140.4(4) . . . . ?
O1C Li1B Li1C N1C -3.5(3) . . . . ?
O1B Li1B Li1C N1C -144.3(3) . . . . ?
N1B Li1B Li1C N1C 57.9(9) . . . . ?
C1B Li1B Li1C N1C -139.0(3) . . . . ?
C1C Li1B Li1C N1C -12.3(3) . . . . ?
Li1A Li1B Li1C N1C -143.9(4) . . . . ?
O1C Li1B Li1C C1C 8.8(2) . . . . ?
O1B Li1B Li1C C1C -132.0(3) . . . . ?
N1B Li1B Li1C C1C 70.2(8) . . . . ?
C1B Li1B Li1C C1C -126.7(3) . . . . ?
Li1A Li1B Li1C C1C -131.5(2) . . . . ?
O1C Li1B Li1C Li1A 140.4(4) . . . . ?
O1B Li1B Li1C Li1A -0.47(19) . . . . ?
N1B Li1B Li1C Li1A -158.3(8) . . . . ?
C1B Li1B Li1C Li1A 4.8(2) . . . . ?
C1C Li1B Li1C Li1A 131.5(2) . . . . ?
O1B Li1B O1C C1C -116.9(3) . . . . ?
N1B Li1B O1C C1C 44.2(5) . . . . ?
C1B Li1B O1C C1C -96.7(4) . . . . ?
Li1A Li1B O1C C1C -129.0(2) . . . . ?
Li1C Li1B O1C C1C -162.6(4) . . . . ?
O1B Li1B O1C Li1C 45.6(4) . . . . ?
N1B Li1B O1C Li1C -153.3(4) . . . . ?
C1B Li1B O1C Li1C 65.8(5) . . . . ?
C1C Li1B O1C Li1C 162.6(4) . . . . ?
Li1A Li1B O1C Li1C 33.6(3) . . . . ?
O1A Li1C O1C C1C 138.8(3) . . . . ?
N1C Li1C O1C C1C -19.9(4) . . . . ?
Li1A Li1C O1C C1C 130.1(2) . . . . ?
Li1B Li1C O1C C1C 162.7(4) . . . . ?
O1A Li1C O1C Li1B -23.9(4) . . . . ?
N1C Li1C O1C Li1B 177.4(3) . . . . ?
C1C Li1C O1C Li1B -162.7(4) . . . . ?
Li1A Li1C O1C Li1B -32.6(3) . . . . ?
O1A Li1C N1C C6C -135.0(4) . . . . ?
O1C Li1C N1C C6C 15.5(4) . . . . ?
C1C Li1C N1C C6C 7.0(3) . . . . ?
Li1A Li1C N1C C6C -78.0(6) . . . . ?
Li1B Li1C N1C C6C 17.3(5) . . . . ?
O1A Li1C N1C C7C 40.5(6) . . . . ?
O1C Li1C N1C C7C -169.0(2) . . . . ?
C1C Li1C N1C C7C -177.4(2) . . . . ?
Li1A Li1C N1C C7C 97.5(6) . . . . ?
Li1B Li1C N1C C7C -167.2(3) . . . . ?
Li1B O1C C1C C5C -4.7(5) . . . . ?
Li1C O1C C1C C5C -167.4(3) . . . . ?
Li1B O1C C1C C2C 175.9(3) . . . . ?
Li1C O1C C1C C2C 13.2(4) . . . . ?
Li1B O1C C1C Fe1C -95.5(3) . . . . ?
Li1C O1C C1C Fe1C 101.9(3) . . . . ?
Li1B O1C C1C Li1C 162.7(4) . . . . ?
Li1C O1C C1C Li1B -162.7(4) . . . . ?
C3C Fe1C C1C O1C -157.5(3) . . . . ?
C4C Fe1C C1C O1C 158.0(3) . . . . ?
C22C Fe1C C1C O1C -75.4(8) . . . . ?
C24C Fe1C C1C O1C -7.5(3) . . . . ?
C21C Fe1C C1C O1C 69.2(4) . . . . ?
C25C Fe1C C1C O1C 35.3(3) . . . . ?
C23C Fe1C C1C O1C -46.4(3) . . . . ?
C2C Fe1C C1C O1C -118.7(3) . . . . ?
C5C Fe1C C1C O1C 120.8(4) . . . . ?
C3C Fe1C C1C C5C 81.8(2) . . . . ?
C4C Fe1C C1C C5C 37.3(2) . . . . ?
C22C Fe1C C1C C5C 163.8(6) . . . . ?
C24C Fe1C C1C C5C -128.2(2) . . . . ?
C21C Fe1C C1C C5C -51.6(3) . . . . ?
C25C Fe1C C1C C5C -85.5(2) . . . . ?
C23C Fe1C C1C C5C -167.2(2) . . . . ?
C2C Fe1C C1C C5C 120.5(3) . . . . ?
C3C Fe1C C1C C2C -38.72(16) . . . . ?
C4C Fe1C C1C C2C -83.24(19) . . . . ?
C22C Fe1C C1C C2C 43.3(7) . . . . ?
C24C Fe1C C1C C2C 111.28(19) . . . . ?
C21C Fe1C C1C C2C -172.1(2) . . . . ?
C25C Fe1C C1C C2C 154.01(18) . . . . ?
C23C Fe1C C1C C2C 72.3(2) . . . . ?
C5C Fe1C C1C C2C -120.5(3) . . . . ?
C3C Fe1C C1C Li1C -110.5(2) . . . . ?
C4C Fe1C C1C Li1C -155.0(3) . . . . ?
C22C Fe1C C1C Li1C -28.5(8) . . . . ?
C24C Fe1C C1C Li1C 39.5(3) . . . . ?
C21C Fe1C C1C Li1C 116.2(3) . . . . ?
C25C Fe1C C1C Li1C 82.2(3) . . . . ?
C23C Fe1C C1C Li1C 0.5(3) . . . . ?
C2C Fe1C C1C Li1C -71.8(2) . . . . ?
C5C Fe1C C1C Li1C 167.7(3) . . . . ?
C3C Fe1C C1C Li1B 157.9(2) . . . . ?
C4C Fe1C C1C Li1B 113.4(2) . . . . ?
C22C Fe1C C1C Li1B -120.1(7) . . . . ?
C24C Fe1C C1C Li1B -52.1(2) . . . . ?
C21C Fe1C C1C Li1B 24.6(4) . . . . ?
C25C Fe1C C1C Li1B -9.4(2) . . . . ?
C23C Fe1C C1C Li1B -91.1(2) . . . . ?
C2C Fe1C C1C Li1B -163.4(3) . . . . ?
C5C Fe1C C1C Li1B 76.1(3) . . . . ?
O1A Li1C C1C O1C -53.4(4) . . . . ?
N1C Li1C C1C O1C 160.1(4) . . . . ?
Li1A Li1C C1C O1C -49.7(3) . . . . ?
Li1B Li1C C1C O1C -10.6(2) . . . . ?
O1A Li1C C1C C5C -20.3(10) . . . . ?
O1C Li1C C1C C5C 33.1(8) . . . . ?
N1C Li1C C1C C5C -166.7(8) . . . . ?
Li1A Li1C C1C C5C -16.6(9) . . . . ?
Li1B Li1C C1C C5C 22.5(8) . . . . ?
O1A Li1C C1C C2C 137.2(4) . . . . ?
O1C Li1C C1C C2C -169.4(3) . . . . ?
N1C Li1C C1C C2C -9.2(2) . . . . ?
Li1A Li1C C1C C2C 140.9(2) . . . . ?
Li1B Li1C C1C C2C -180.0(2) . . . . ?
O1A Li1C C1C Fe1C -162.0(3) . . . . ?
O1C Li1C C1C Fe1C -108.6(3) . . . . ?
N1C Li1C C1C Fe1C 51.5(3) . . . . ?
Li1A Li1C C1C Fe1C -158.31(19) . . . . ?
Li1B Li1C C1C Fe1C -119.2(2) . . . . ?
O1A Li1C C1C Li1B -42.8(4) . . . . ?
O1C Li1C C1C Li1B 10.6(2) . . . . ?
N1C Li1C C1C Li1B 170.7(2) . . . . ?
Li1A Li1C C1C Li1B -39.12(19) . . . . ?
O1B Li1B C1C O1C 78.3(4) . . . . ?
N1B Li1B C1C O1C -147.3(4) . . . . ?
C1B Li1B C1C O1C 110.4(4) . . . . ?
Li1A Li1B C1C O1C 51.7(3) . . . . ?
Li1C Li1B C1C O1C 10.7(3) . . . . ?
O1C Li1B C1C C5C 176.2(4) . . . . ?
O1B Li1B C1C C5C -105.5(3) . . . . ?
N1B Li1B C1C C5C 28.9(3) . . . . ?
C1B Li1B C1C C5C -73.3(3) . . . . ?
Li1A Li1B C1C C5C -132.1(2) . . . . ?
Li1C Li1B C1C C5C -173.0(2) . . . . ?
O1C Li1B C1C C2C -10.6(7) . . . . ?
O1B Li1B C1C C2C 67.7(8) . . . . ?
N1B Li1B C1C C2C -157.9(6) . . . . ?
C1B Li1B C1C C2C 99.8(7) . . . . ?
Li1A Li1B C1C C2C 41.1(8) . . . . ?
Li1C Li1B C1C C2C 0.1(7) . . . . ?
O1C Li1B C1C Fe1C 112.4(3) . . . . ?
O1B Li1B C1C Fe1C -169.3(2) . . . . ?
N1B Li1B C1C Fe1C -34.9(3) . . . . ?
C1B Li1B C1C Fe1C -137.1(3) . . . . ?
Li1A Li1B C1C Fe1C 164.11(17) . . . . ?
Li1C Li1B C1C Fe1C 123.2(2) . . . . ?
O1C Li1B C1C Li1C -10.7(3) . . . . ?
O1B Li1B C1C Li1C 67.5(3) . . . . ?
N1B Li1B C1C Li1C -158.0(3) . . . . ?
C1B Li1B C1C Li1C 99.7(3) . . . . ?
Li1A Li1B C1C Li1C 40.92(19) . . . . ?
O1C C1C C2C C3C -178.1(3) . . . . ?
C5C C1C C2C C3C 2.4(3) . . . . ?
Fe1C C1C C2C C3C 58.4(2) . . . . ?
Li1C C1C C2C C3C -170.4(2) . . . . ?
Li1B C1C C2C C3C -170.5(6) . . . . ?
O1C C1C C2C C6C 4.2(5) . . . . ?
C5C C1C C2C C6C -175.3(3) . . . . ?
Fe1C C1C C2C C6C -119.3(3) . . . . ?
Li1C C1C C2C C6C 12.0(3) . . . . ?
Li1B C1C C2C C6C 11.8(9) . . . . ?
O1C C1C C2C Fe1C 123.5(3) . . . . ?
C5C C1C C2C Fe1C -56.0(2) . . . . ?
Li1C C1C C2C Fe1C 131.27(16) . . . . ?
Li1B C1C C2C Fe1C 131.1(7) . . . . ?
C4C Fe1C C2C C3C -38.86(19) . . . . ?
C22C Fe1C C2C C3C 71.7(2) . . . . ?
C24C Fe1C C2C C3C 155.5(2) . . . . ?
C21C Fe1C C2C C3C 38.9(8) . . . . ?
C25C Fe1C C2C C3C -168.8(3) . . . . ?
C23C Fe1C C2C C3C 112.2(2) . . . . ?
C5C Fe1C C2C C3C -82.38(19) . . . . ?
C1C Fe1C C2C C3C -118.6(2) . . . . ?
C3C Fe1C C2C C6C -118.2(3) . . . . ?
C4C Fe1C C2C C6C -157.1(3) . . . . ?
C22C Fe1C C2C C6C -46.6(3) . . . . ?
C24C Fe1C C2C C6C 37.2(3) . . . . ?
C21C Fe1C C2C C6C -79.3(8) . . . . ?
C25C Fe1C C2C C6C 73.0(4) . . . . ?
C23C Fe1C C2C C6C -6.0(3) . . . . ?
C5C Fe1C C2C C6C 159.4(3) . . . . ?
C1C Fe1C C2C C6C 123.2(3) . . . . ?
C3C Fe1C C2C C1C 118.6(2) . . . . ?
C4C Fe1C C2C C1C 79.75(19) . . . . ?
C22C Fe1C C2C C1C -169.74(19) . . . . ?
C24C Fe1C C2C C1C -85.9(2) . . . . ?
C21C Fe1C C2C C1C 157.6(7) . . . . ?
C25C Fe1C C2C C1C -50.2(3) . . . . ?
C23C Fe1C C2C C1C -129.14(17) . . . . ?
C5C Fe1C C2C C1C 36.23(16) . . . . ?
C6C C2C C3C C4C 177.1(3) . . . . ?
C1C C2C C3C C4C -0.6(3) . . . . ?
Fe1C C2C C3C C4C 61.3(2) . . . . ?
C6C C2C C3C Fe1C 115.8(3) . . . . ?
C1C C2C C3C Fe1C -61.9(2) . . . . ?
C22C Fe1C C3C C4C 112.2(2) . . . . ?
C24C Fe1C C3C C4C -168.2(3) . . . . ?
C21C Fe1C C3C C4C 71.4(3) . . . . ?
C25C Fe1C C3C C4C 35.7(7) . . . . ?
C23C Fe1C C3C C4C 155.4(2) . . . . ?
C2C Fe1C C3C C4C -117.3(3) . . . . ?
C5C Fe1C C3C C4C -37.3(2) . . . . ?
C1C Fe1C C3C C4C -79.7(2) . . . . ?
C4C Fe1C C3C C2C 117.3(3) . . . . ?
C22C Fe1C C3C C2C -130.50(19) . . . . ?
C24C Fe1C C3C C2C -50.9(4) . . . . ?
C21C Fe1C C3C C2C -171.31(19) . . . . ?
C25C Fe1C C3C C2C 153.0(6) . . . . ?
C23C Fe1C C3C C2C -87.3(2) . . . . ?
C5C Fe1C C3C C2C 80.03(19) . . . . ?
C1C Fe1C C3C C2C 37.60(17) . . . . ?
C2C C3C C4C C5C -1.4(4) . . . . ?
Fe1C C3C C4C C5C 60.4(2) . . . . ?
C2C C3C C4C Fe1C -61.8(2) . . . . ?
C3C Fe1C C4C C5C -119.3(3) . . . . ?
C22C Fe1C C4C C5C 153.9(2) . . . . ?
C24C Fe1C C4C C5C 37.5(7) . . . . ?
C21C Fe1C C4C C5C 110.9(2) . . . . ?
C25C Fe1C C4C C5C 70.0(3) . . . . ?
C23C Fe1C C4C C5C -172.3(3) . . . . ?
C2C Fe1C C4C C5C -80.1(2) . . . . ?
C1C Fe1C C4C C5C -36.45(19) . . . . ?
C22C Fe1C C4C C3C -86.8(2) . . . . ?
C24C Fe1C C4C C3C 156.9(5) . . . . ?
C21C Fe1C C4C C3C -129.8(2) . . . . ?
C25C Fe1C C4C C3C -170.7(2) . . . . ?
C23C Fe1C C4C C3C -53.0(4) . . . . ?
C2C Fe1C C4C C3C 39.25(19) . . . . ?
C5C Fe1C C4C C3C 119.3(3) . . . . ?
C1C Fe1C C4C C3C 82.9(2) . . . . ?
C3C C4C C5C C1C 3.0(4) . . . . ?
Fe1C C4C C5C C1C 61.7(2) . . . . ?
C3C C4C C5C Fe1C -58.7(2) . . . . ?
O1C C1C C5C C4C 177.2(3) . . . . ?
C2C C1C C5C C4C -3.3(4) . . . . ?
Fe1C C1C C5C C4C -58.8(2) . . . . ?
Li1C C1C C5C C4C 153.2(7) . . . . ?
Li1B C1C C5C C4C 174.5(3) . . . . ?
O1C C1C C5C Fe1C -123.9(3) . . . . ?
C2C C1C C5C Fe1C 55.5(2) . . . . ?
Li1C C1C C5C Fe1C -148.0(8) . . . . ?
Li1B C1C C5C Fe1C -126.71(16) . . . . ?
C3C Fe1C C5C C4C 38.1(2) . . . . ?
C22C Fe1C C5C C4C -53.3(4) . . . . ?
C24C Fe1C C5C C4C -169.0(2) . . . . ?
C21C Fe1C C5C C4C -86.7(2) . . . . ?
C25C Fe1C C5C C4C -129.3(2) . . . . ?
C23C Fe1C C5C C4C 165.2(6) . . . . ?
C2C Fe1C C5C C4C 83.0(2) . . . . ?
C1C Fe1C C5C C4C 120.1(3) . . . . ?
C3C Fe1C C5C C1C -82.1(2) . . . . ?
C4C Fe1C C5C C1C -120.1(3) . . . . ?
C22C Fe1C C5C C1C -173.4(3) . . . . ?
C24C Fe1C C5C C1C 70.9(3) . . . . ?
C21C Fe1C C5C C1C 153.2(2) . . . . ?
C25C Fe1C C5C C1C 110.6(2) . . . . ?
C23C Fe1C C5C C1C 45.1(7) . . . . ?
C2C Fe1C C5C C1C -37.09(18) . . . . ?
C7C N1C C6C C2C -178.9(3) . . . . ?
Li1C N1C C6C C2C -3.0(4) . . . . ?
C3C C2C C6C N1C 173.1(3) . . . . ?
C1C C2C C6C N1C -9.6(5) . . . . ?
Fe1C C2C C6C N1C -102.6(3) . . . . ?
C6C N1C C7C C12C -88.0(4) . . . . ?
Li1C N1C C7C C12C 96.5(4) . . . . ?
C6C N1C C7C C8C 94.3(4) . . . . ?
Li1C N1C C7C C8C -81.2(4) . . . . ?
C12C C7C C8C C9C 2.7(5) . . . . ?
N1C C7C C8C C9C -179.6(3) . . . . ?
C12C C7C C8C C13C -177.3(3) . . . . ?
N1C C7C C8C C13C 0.3(5) . . . . ?
C7C C8C C9C C10C -0.5(6) . . . . ?
C13C C8C C9C C10C 179.5(4) . . . . ?
C8C C9C C10C C11C -2.0(6) . . . . ?
C9C C10C C11C C12C 2.3(6) . . . . ?
C8C C7C C12C C11C -2.4(5) . . . . ?
N1C C7C C12C C11C -180.0(3) . . . . ?
C8C C7C C12C C16C 173.6(3) . . . . ?
N1C C7C C12C C16C -4.0(5) . . . . ?
C10C C11C C12C C7C -0.2(5) . . . . ?
C10C C11C C12C C16C -176.2(4) . . . . ?
C9C C8C C13C C15C -54.4(5) . . . . ?
C7C C8C C13C C15C 125.6(4) . . . . ?
C9C C8C C13C C14C 70.9(5) . . . . ?
C7C C8C C13C C14C -109.1(4) . . . . ?
C7C C12C C16C C17C -103.9(5) . . . . ?
C11C C12C C16C C17C 72.0(5) . . . . ?
C7C C12C C16C C18C 132.4(4) . . . . ?
C11C C12C C16C C18C -51.7(5) . . . . ?
C3C Fe1C C21C C22C 71.9(3) . . . . ?
C4C Fe1C C21C C22C 113.1(2) . . . . ?
C24C Fe1C C21C C22C -81.8(2) . . . . ?
C25C Fe1C C21C C22C -119.5(3) . . . . ?
C23C Fe1C C21C C22C -38.3(2) . . . . ?
C2C Fe1C C21C C22C 39.0(8) . . . . ?
C5C Fe1C C21C C22C 156.0(2) . . . . ?
C1C Fe1C C21C C22C -169.9(2) . . . . ?
C3C Fe1C C21C C25C -168.7(2) . . . . ?
C4C Fe1C C21C C25C -127.5(2) . . . . ?
C22C Fe1C C21C C25C 119.5(3) . . . . ?
C24C Fe1C C21C C25C 37.6(2) . . . . ?
C23C Fe1C C21C C25C 81.2(2) . . . . ?
C2C Fe1C C21C C25C 158.5(6) . . . . ?
C5C Fe1C C21C C25C -84.6(2) . . . . ?
C1C Fe1C C21C C25C -50.5(4) . . . . ?
C25C C21C C22C C23C 1.0(4) . . . . ?
Fe1C C21C C22C C23C 60.5(2) . . . . ?
C25C C21C C22C Fe1C -59.5(2) . . . . ?
C3C Fe1C C22C C23C 112.9(2) . . . . ?
C4C Fe1C C22C C23C 157.0(2) . . . . ?
C24C Fe1C C22C C23C -36.9(2) . . . . ?
C21C Fe1C C22C C23C -117.9(3) . . . . ?
C25C Fe1C C22C C23C -80.4(2) . . . . ?
C2C Fe1C C22C C23C 71.0(3) . . . . ?
C5C Fe1C C22C C23C -166.7(3) . . . . ?
C1C Fe1C C22C C23C 35.0(8) . . . . ?
C3C Fe1C C22C C21C -129.3(2) . . . . ?
C4C Fe1C C22C C21C -85.1(2) . . . . ?
C24C Fe1C C22C C21C 81.0(2) . . . . ?
C25C Fe1C C22C C21C 37.5(2) . . . . ?
C23C Fe1C C22C C21C 117.9(3) . . . . ?
C2C Fe1C C22C C21C -171.1(2) . . . . ?
C5C Fe1C C22C C21C -48.8(4) . . . . ?
C1C Fe1C C22C C21C 152.9(6) . . . . ?
C21C C22C C23C C24C -1.6(4) . . . . ?
Fe1C C22C C23C C24C 58.7(2) . . . . ?
C21C C22C C23C Fe1C -60.4(2) . . . . ?
C3C Fe1C C23C C24C 154.0(2) . . . . ?
C4C Fe1C C23C C24C -169.0(3) . . . . ?
C22C Fe1C C23C C24C -120.2(3) . . . . ?
C21C Fe1C C23C C24C -81.9(2) . . . . ?
C25C Fe1C C23C C24C -37.9(2) . . . . ?
C2C Fe1C C23C C24C 109.2(2) . . . . ?
C5C Fe1C C23C C24C 32.3(7) . . . . ?
C1C Fe1C C23C C24C 68.2(3) . . . . ?
C3C Fe1C C23C C22C -85.8(2) . . . . ?
C4C Fe1C C23C C22C -48.7(4) . . . . ?
C24C Fe1C C23C C22C 120.2(3) . . . . ?
C21C Fe1C C23C C22C 38.4(2) . . . . ?
C25C Fe1C C23C C22C 82.3(2) . . . . ?
C2C Fe1C C23C C22C -130.6(2) . . . . ?
C5C Fe1C C23C C22C 152.5(6) . . . . ?
C1C Fe1C C23C C22C -171.5(2) . . . . ?
C22C C23C C24C C25C 1.6(4) . . . . ?
Fe1C C23C C24C C25C 60.3(2) . . . . ?
C22C C23C C24C Fe1C -58.6(2) . . . . ?
C3C Fe1C C24C C23C -53.5(4) . . . . ?
C4C Fe1C C24C C23C 159.5(5) . . . . ?
C22C Fe1C C24C C23C 37.1(2) . . . . ?
C21C Fe1C C24C C23C 80.8(2) . . . . ?
C25C Fe1C C24C C23C 118.7(3) . . . . ?
C2C Fe1C C24C C23C -88.9(2) . . . . ?
C5C Fe1C C24C C23C -170.7(2) . . . . ?
C1C Fe1C C24C C23C -131.6(2) . . . . ?
C3C Fe1C C24C C25C -172.1(3) . . . . ?
C4C Fe1C C24C C25C 40.8(7) . . . . ?
C22C Fe1C C24C C25C -81.6(2) . . . . ?
C21C Fe1C C24C C25C -37.8(2) . . . . ?
C23C Fe1C C24C C25C -118.7(3) . . . . ?
C2C Fe1C C24C C25C 152.5(2) . . . . ?
C5C Fe1C C24C C25C 70.7(3) . . . . ?
C1C Fe1C C24C C25C 109.7(2) . . . . ?
C23C C24C C25C C21C -1.0(4) . . . . ?
Fe1C C24C C25C C21C 59.3(2) . . . . ?
C23C C24C C25C Fe1C -60.3(2) . . . . ?
C22C C21C C25C C24C 0.0(4) . . . . ?
Fe1C C21C C25C C24C -59.4(2) . . . . ?
C22C C21C C25C Fe1C 59.3(2) . . . . ?
C3C Fe1C C25C C24C 162.7(6) . . . . ?
C4C Fe1C C25C C24C -168.1(2) . . . . ?
C22C Fe1C C25C C24C 81.5(2) . . . . ?
C21C Fe1C C25C C24C 119.0(3) . . . . ?
C23C Fe1C C25C C24C 37.8(2) . . . . ?
C2C Fe1C C25C C24C -53.4(4) . . . . ?
C5C Fe1C C25C C24C -128.6(2) . . . . ?
C1C Fe1C C25C C24C -87.1(2) . . . . ?
C3C Fe1C C25C C21C 43.7(8) . . . . ?
C4C Fe1C C25C C21C 72.9(3) . . . . ?
C22C Fe1C C25C C21C -37.5(2) . . . . ?
C24C Fe1C C25C C21C -119.0(3) . . . . ?
C23C Fe1C C25C C21C -81.2(2) . . . . ?
C2C Fe1C C25C C21C -172.4(2) . . . . ?
C5C Fe1C C25C C21C 112.5(2) . . . . ?
C1C Fe1C C25C C21C 153.9(2) . . . . ?
