#------------------------------------------------------------------------------
#$Date: 2018-08-11 21:53:31 +0300 (Sat, 11 Aug 2018) $
#$Revision: 209589 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/10/7001041.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_7001041
loop_
_publ_author_name
'Kaufmann, Linda'
'Breunig, Jens-Michael'
'Vitze, Hannes'
'Schödel, Frauke'
'Nowik, Israel'
'Pichlmaier, Markus'
'Bolte, Michael'
'Lerner, Hans-Wolfram'
'Winter, Rainer F.'
'Herber, Rolfe H.'
'Wagner, Matthias'
_publ_section_title
;
 Electronic communication in oligonuclear ferrocene complexes with
 anionic four-coordinate boron bridges
;
_journal_coden_ASTM              DTARAF
_journal_issue                   16
_journal_name_full               'Dalton Transactions'
_journal_page_first              2940
_journal_page_last               2950
_journal_paper_doi               10.1039/b821406a
_journal_year                    2009
_chemical_formula_sum            'C56 H68 B Fe4 Li O4'
_chemical_formula_weight         1046.25
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.813(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9829(9)
_cell_length_b                   20.0854(10)
_cell_length_c                   16.7066(9)
_cell_measurement_reflns_used    24048
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.9
_cell_measurement_theta_min      3.5
_cell_volume                     4938.4(5)
_computing_cell_refinement       'X-Area (Stoe & Cie, 2001)'
_computing_data_collection       'X-Area (Stoe & Cie, 2001)'
_computing_data_reduction        'X-Area (Stoe & Cie, 2001)'
_computing_molecular_graphics    'XP in SHELXTL-Plus (Sheldrick, 1991)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997) '
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990) '
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'STOE IPDS II two-circle-diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0532
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            30721
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.63
_diffrn_reflns_theta_min         3.34
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.198
_exptl_absorpt_correction_T_max  0.7005
_exptl_absorpt_correction_T_min  0.6656
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'MULABS (Spek, 2003; Blessing, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2192
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.32
_refine_diff_density_max         0.490
_refine_diff_density_min         -0.521
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         9233
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.961
_refine_ls_R_factor_all          0.0586
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0542P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0965
_reflns_number_gt                6976
_reflns_number_total             9233
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            B821406A.txt
_cod_data_source_block           wa847
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7001041
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
B1 B 0.6346(2) 0.56157(13) 0.25827(17) 0.0230(6) Uani 1 1 d . . .
Fe1 Fe 0.44875(3) 0.491202(18) 0.32745(2) 0.02961(11) Uani 1 1 d . . .
Fe2 Fe 0.60361(3) 0.730819(18) 0.23570(3) 0.03028(11) Uani 1 1 d . . .
Fe3 Fe 0.68446(3) 0.476005(19) 0.09348(2) 0.02904(11) Uani 1 1 d . . .
Fe4 Fe 0.81119(3) 0.505157(18) 0.41688(2) 0.02564(10) Uani 1 1 d . . .
C1 C 0.54831(18) 0.56222(12) 0.30668(15) 0.0235(5) Uani 1 1 d . . .
C2 C 0.5491(2) 0.55010(13) 0.39129(16) 0.0287(6) Uani 1 1 d . . .
H2 H 0.6000 0.5340 0.4289 0.034 Uiso 1 1 calc R . .
C3 C 0.4625(2) 0.56568(14) 0.41141(18) 0.0345(7) Uani 1 1 d . . .
H3 H 0.4469 0.5630 0.4639 0.041 Uiso 1 1 calc R . .
C4 C 0.4044(2) 0.58586(13) 0.33820(18) 0.0332(7) Uani 1 1 d . . .
H4 H 0.3427 0.5992 0.3325 0.040 Uiso 1 1 calc R . .
C5 C 0.45650(19) 0.58232(12) 0.27437(17) 0.0276(6) Uani 1 1 d . . .
H5 H 0.4335 0.5919 0.2186 0.033 Uiso 1 1 calc R . .
C6 C 0.4791(3) 0.40045(15) 0.2844(3) 0.0534(10) Uani 1 1 d . . .
H6 H 0.5302 0.3903 0.2606 0.064 Uiso 1 1 calc R . .
C7 C 0.4738(3) 0.39519(16) 0.3655(3) 0.0607(11) Uani 1 1 d . . .
H7 H 0.5221 0.3802 0.4068 0.073 Uiso 1 1 calc R . .
C8 C 0.3923(4) 0.41375(19) 0.3788(3) 0.0694(13) Uani 1 1 d . . .
H8 H 0.3750 0.4147 0.4306 0.083 Uiso 1 1 calc R . .
C9 C 0.3380(3) 0.43101(18) 0.3078(4) 0.0722(14) Uani 1 1 d . . .
H9 H 0.2764 0.4448 0.3013 0.087 Uiso 1 1 calc R . .
C10 C 0.3911(4) 0.42459(17) 0.2420(2) 0.0870(19) Uani 1 1 d . . .
H10 H 0.3724 0.4340 0.1856 0.104 Uiso 1 1 calc R . .
C11 C 0.6360(2) 0.63183(13) 0.20700(16) 0.0278(6) Uani 1 1 d . . .
C12 C 0.7117(2) 0.67697(14) 0.2124(2) 0.0403(8) Uani 1 1 d . . .
H12 H 0.7681 0.6721 0.2489 0.048 Uiso 1 1 calc R . .
C13 C 0.6896(3) 0.73012(15) 0.1552(2) 0.0543(11) Uani 1 1 d . . .
H13 H 0.7285 0.7657 0.1464 0.065 Uiso 1 1 calc R . .
C14 C 0.5990(3) 0.71998(15) 0.1139(2) 0.0473(9) Uani 1 1 d . . .
H14 H 0.5660 0.7477 0.0727 0.057 Uiso 1 1 calc R . .
C15 C 0.5664(2) 0.66071(13) 0.14552(17) 0.0344(7) Uani 1 1 d . . .
H15 H 0.5073 0.6428 0.1285 0.041 Uiso 1 1 calc R . .
C16 C 0.5655(2) 0.72751(14) 0.34725(18) 0.0373(7) Uani 1 1 d . . .
H16 H 0.5631 0.6888 0.3795 0.045 Uiso 1 1 calc R . .
C17 C 0.6421(3) 0.77009(16) 0.3505(2) 0.0475(8) Uani 1 1 d . . .
H17 H 0.6997 0.7648 0.3850 0.057 Uiso 1 1 calc R . .
C18 C 0.6166(3) 0.82224(15) 0.2925(2) 0.0517(9) Uani 1 1 d . . .
H18 H 0.6543 0.8580 0.2821 0.062 Uiso 1 1 calc R . .
C19 C 0.5252(3) 0.81138(15) 0.2533(2) 0.0487(9) Uani 1 1 d . . .
H19 H 0.4911 0.8382 0.2117 0.058 Uiso 1 1 calc R . .
C20 C 0.4939(2) 0.75249(14) 0.2880(2) 0.0378(7) Uani 1 1 d . . .
H20 H 0.4349 0.7336 0.2735 0.045 Uiso 1 1 calc R . .
C21 C 0.62411(18) 0.49879(12) 0.19496(16) 0.0248(5) Uani 1 1 d . . .
C22 C 0.5581(2) 0.49129(14) 0.12111(17) 0.0321(6) Uani 1 1 d . . .
H22 H 0.5161 0.5246 0.0980 0.039 Uiso 1 1 calc R . .
C23 C 0.5647(2) 0.42611(15) 0.08726(18) 0.0371(7) Uani 1 1 d . . .
H23 H 0.5281 0.4090 0.0390 0.044 Uiso 1 1 calc R . .
C24 C 0.6360(2) 0.39198(14) 0.13907(18) 0.0355(7) Uani 1 1 d . . .
H24 H 0.6562 0.3480 0.1317 0.043 Uiso 1 1 calc R . .
C25 C 0.6720(2) 0.43600(12) 0.20453(16) 0.0277(6) Uani 1 1 d . . .
H25 H 0.7204 0.4254 0.2481 0.033 Uiso 1 1 calc R . .
C26 C 0.7753(3) 0.55018(17) 0.0845(2) 0.0482(9) Uani 1 1 d . . .
H26 H 0.7902 0.5864 0.1212 0.058 Uiso 1 1 calc R . .
C27 C 0.7053(3) 0.54959(17) 0.0142(2) 0.0485(9) Uani 1 1 d . . .
H27 H 0.6652 0.5854 -0.0043 0.058 Uiso 1 1 calc R . .
C28 C 0.7056(3) 0.48593(18) -0.02389(19) 0.0484(8) Uani 1 1 d . . .
H28 H 0.6658 0.4716 -0.0720 0.058 Uiso 1 1 calc R . .
C29 C 0.7770(2) 0.44758(17) 0.02403(19) 0.0455(8) Uani 1 1 d . . .
H29 H 0.7931 0.4032 0.0130 0.055 Uiso 1 1 calc R . .
C30 C 0.8194(2) 0.48688(17) 0.0904(2) 0.0451(8) Uani 1 1 d . . .
H30 H 0.8687 0.4735 0.1317 0.054 Uiso 1 1 calc R . .
C31 C 0.73267(19) 0.56238(11) 0.32187(15) 0.0239(5) Uani 1 1 d . . .
C32 C 0.75489(19) 0.59860(12) 0.39726(17) 0.0282(6) Uani 1 1 d . . .
H32 H 0.7114 0.6172 0.4255 0.034 Uiso 1 1 calc R . .
C33 C 0.8509(2) 0.60280(13) 0.42404(18) 0.0339(6) Uani 1 1 d . . .
H33 H 0.8818 0.6249 0.4715 0.041 Uiso 1 1 calc R . .
C34 C 0.8922(2) 0.56751(14) 0.36602(18) 0.0333(6) Uani 1 1 d . . .
H34 H 0.9554 0.5615 0.3678 0.040 Uiso 1 1 calc R . .
C35 C 0.81986(19) 0.54296(12) 0.30483(16) 0.0267(6) Uani 1 1 d . . .
H35 H 0.8282 0.5173 0.2590 0.032 Uiso 1 1 calc R . .
C36 C 0.7412(3) 0.42061(15) 0.4340(2) 0.0458(8) Uani 1 1 d . . .
H36 H 0.6827 0.4087 0.4048 0.055 Uiso 1 1 calc R . .
C37 C 0.7603(2) 0.45858(16) 0.5077(2) 0.0440(8) Uani 1 1 d . . .
H37 H 0.7167 0.4760 0.5367 0.053 Uiso 1 1 calc R . .
C38 C 0.8560(2) 0.46547(16) 0.52965(19) 0.0437(8) Uani 1 1 d . . .
H38 H 0.8877 0.4887 0.5759 0.052 Uiso 1 1 calc R . .
C39 C 0.8966(2) 0.43171(15) 0.47066(19) 0.0427(8) Uani 1 1 d . . .
H39 H 0.9598 0.4285 0.4706 0.051 Uiso 1 1 calc R . .
C40 C 0.8260(3) 0.40392(14) 0.4124(2) 0.0430(8) Uani 1 1 d . . .
H40 H 0.8338 0.3783 0.3663 0.052 Uiso 1 1 calc R . .
Li1 Li 0.5720(4) 0.8340(3) 0.6573(3) 0.0476(14) Uani 1 1 d . . .
O41 O 0.5884(2) 0.92742(11) 0.67818(14) 0.0567(7) Uani 1 1 d . . .
C42 C 0.6158(3) 0.95291(17) 0.7586(2) 0.0594(10) Uani 1 1 d . . .
H42A H 0.6828 0.9542 0.7739 0.071 Uiso 1 1 calc R . .
H42B H 0.5917 0.9248 0.7984 0.071 Uiso 1 1 calc R . .
C43 C 0.5767(3) 1.02222(16) 0.7566(2) 0.0501(9) Uani 1 1 d . . .
H43A H 0.6137 1.0511 0.7981 0.060 Uiso 1 1 calc R . .
H43B H 0.5133 1.0215 0.7657 0.060 Uiso 1 1 calc R . .
C44 C 0.5811(3) 1.04548(17) 0.6707(2) 0.0515(9) Uani 1 1 d . . .
H44A H 0.5316 1.0773 0.6505 0.062 Uiso 1 1 calc R . .
H44B H 0.6402 1.0670 0.6690 0.062 Uiso 1 1 calc R . .
C45 C 0.5701(3) 0.98266(19) 0.6216(2) 0.0609(11) Uani 1 1 d . . .
H45A H 0.5076 0.9795 0.5896 0.073 Uiso 1 1 calc R . .
H45B H 0.6132 0.9821 0.5833 0.073 Uiso 1 1 calc R . .
O51 O 0.67867(17) 0.80348(11) 0.61927(15) 0.0491(6) Uani 1 1 d . . .
C52 C 0.6744(3) 0.7400(2) 0.5810(3) 0.0681(12) Uani 1 1 d . . .
H52A H 0.6448 0.7435 0.5230 0.082 Uiso 1 1 calc R . .
H52B H 0.6393 0.7084 0.6084 0.082 Uiso 1 1 calc R . .
C53 C 0.7708(3) 0.7167(2) 0.5883(3) 0.0830(15) Uani 1 1 d . . .
H53A H 0.7789 0.6906 0.5400 0.100 Uiso 1 1 calc R . .
H53B H 0.7897 0.6893 0.6378 0.100 Uiso 1 1 calc R . .
C54 C 0.8235(3) 0.7811(2) 0.5939(3) 0.0692(12) Uani 1 1 d . . .
H54A H 0.8224 0.8007 0.5394 0.083 Uiso 1 1 calc R . .
H54B H 0.8873 0.7748 0.6218 0.083 Uiso 1 1 calc R . .
C55 C 0.7712(3) 0.82330(17) 0.6441(2) 0.0544(9) Uani 1 1 d . . .
H55A H 0.7923 0.8150 0.7030 0.065 Uiso 1 1 calc R . .
H55B H 0.7786 0.8712 0.6331 0.065 Uiso 1 1 calc R . .
O61 O 0.46930(17) 0.81446(12) 0.57361(14) 0.0497(6) Uani 1 1 d . . .
C62 C 0.4475(3) 0.84390(19) 0.4925(2) 0.0543(9) Uani 1 1 d . . .
H62A H 0.4998 0.8399 0.4643 0.065 Uiso 1 1 calc R . .
H62B H 0.4323 0.8916 0.4962 0.065 Uiso 1 1 calc R . .
C63 C 0.3672(3) 0.80613(18) 0.4471(2) 0.0526(9) Uani 1 1 d . . .
H63A H 0.3098 0.8302 0.4485 0.063 Uiso 1 1 calc R . .
H63B H 0.3728 0.7990 0.3896 0.063 Uiso 1 1 calc R . .
C64 C 0.3705(3) 0.74134(18) 0.4920(2) 0.0619(11) Uani 1 1 d . . .
H64A H 0.4132 0.7097 0.4737 0.074 Uiso 1 1 calc R . .
H64B H 0.3096 0.7206 0.4853 0.074 Uiso 1 1 calc R . .
C65 C 0.4047(3) 0.76381(18) 0.5800(2) 0.0561(10) Uani 1 1 d . . .
H65A H 0.3541 0.7816 0.6043 0.067 Uiso 1 1 calc R . .
H65B H 0.4334 0.7264 0.6139 0.067 Uiso 1 1 calc R . .
O71 O 0.56418(17) 0.78742(11) 0.75776(14) 0.0489(6) Uani 1 1 d . . .
C72 C 0.6396(3) 0.7585(2) 0.8126(2) 0.0582(10) Uani 1 1 d . . .
H72A H 0.6883 0.7920 0.8285 0.070 Uiso 1 1 calc R . .
H72B H 0.6648 0.7205 0.7864 0.070 Uiso 1 1 calc R . .
C73 C 0.6038(4) 0.7353(3) 0.8866(3) 0.0789(14) Uani 1 1 d . . .
H73A H 0.5927 0.6867 0.8843 0.095 Uiso 1 1 calc R . .
H73B H 0.6474 0.7458 0.9373 0.095 Uiso 1 1 calc R . .
C74 C 0.5185(3) 0.7719(2) 0.8837(2) 0.0609(10) Uani 1 1 d . . .
H74A H 0.5294 0.8154 0.9117 0.073 Uiso 1 1 calc R . .
H74B H 0.4751 0.7459 0.9092 0.073 Uiso 1 1 calc R . .
C75 C 0.4836(3) 0.78101(19) 0.7938(2) 0.0520(9) Uani 1 1 d . . .
H75A H 0.4469 0.7421 0.7709 0.062 Uiso 1 1 calc R . .
H75B H 0.4454 0.8215 0.7836 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'
B B 0.0013 0.0007 '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'
Li Li -0.0003 0.0001 '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'
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
C21 B1 C31 113.0(2) . . ?
C21 B1 C1 109.6(2) . . ?
C31 B1 C1 111.8(2) . . ?
C21 B1 C11 109.4(2) . . ?
C31 B1 C11 103.2(2) . . ?
C1 B1 C11 109.6(2) . . ?
C10 Fe1 C9 42.7(2) . . ?
C10 Fe1 C4 125.20(18) . . ?
C9 Fe1 C4 107.50(14) . . ?
C10 Fe1 C3 160.9(2) . . ?
C9 Fe1 C3 121.56(16) . . ?
C4 Fe1 C3 40.88(12) . . ?
C10 Fe1 C8 68.69(18) . . ?
C9 Fe1 C8 38.85(19) . . ?
C4 Fe1 C8 120.62(15) . . ?
C3 Fe1 C8 105.53(15) . . ?
C10 Fe1 C6 41.96(19) . . ?
C9 Fe1 C6 68.91(16) . . ?
C4 Fe1 C6 164.60(15) . . ?
C3 Fe1 C6 154.00(16) . . ?
C8 Fe1 C6 66.62(16) . . ?
C10 Fe1 C7 67.98(17) . . ?
C9 Fe1 C7 65.48(18) . . ?
C4 Fe1 C7 154.07(15) . . ?
C3 Fe1 C7 119.39(15) . . ?
C8 Fe1 C7 38.20(17) . . ?
C6 Fe1 C7 39.33(15) . . ?
C10 Fe1 C5 109.66(13) . . ?
C9 Fe1 C5 125.01(17) . . ?
C4 Fe1 C5 41.23(11) . . ?
C3 Fe1 C5 68.57(11) . . ?
C8 Fe1 C5 158.12(17) . . ?
C6 Fe1 C5 127.71(13) . . ?
C7 Fe1 C5 163.10(15) . . ?
C10 Fe1 C2 157.2(2) . . ?
C9 Fe1 C2 157.87(18) . . ?
C4 Fe1 C2 68.53(12) . . ?
C3 Fe1 C2 41.16(11) . . ?
C8 Fe1 C2 122.98(17) . . ?
C6 Fe1 C2 120.59(15) . . ?
C7 Fe1 C2 108.00(15) . . ?
C5 Fe1 C2 67.26(11) . . ?
C10 Fe1 C1 122.94(17) . . ?
C9 Fe1 C1 160.91(18) . . ?
C4 Fe1 C1 68.89(10) . . ?
C3 Fe1 C1 68.78(10) . . ?
C8 Fe1 C1 159.33(18) . . ?
C6 Fe1 C1 109.30(12) . . ?
C7 Fe1 C1 125.94(15) . . ?
C5 Fe1 C1 40.12(11) . . ?
C2 Fe1 C1 39.93(10) . . ?
C13 Fe2 C14 40.80(16) . . ?
C13 Fe2 C12 41.10(12) . . ?
C14 Fe2 C12 68.44(14) . . ?
C13 Fe2 C20 160.79(14) . . ?
C14 Fe2 C20 124.77(15) . . ?
C12 Fe2 C20 157.13(12) . . ?
C13 Fe2 C16 157.21(16) . . ?
C14 Fe2 C16 160.50(15) . . ?
C12 Fe2 C16 121.43(13) . . ?
C20 Fe2 C16 40.20(13) . . ?
C13 Fe2 C19 123.50(13) . . ?
C14 Fe2 C19 108.36(13) . . ?
C12 Fe2 C19 159.92(13) . . ?
C20 Fe2 C19 40.95(13) . . ?
C16 Fe2 C19 68.32(13) . . ?
C13 Fe2 C17 121.32(17) . . ?
C14 Fe2 C17 157.81(14) . . ?
C12 Fe2 C17 106.70(15) . . ?
C20 Fe2 C17 68.10(14) . . ?
C16 Fe2 C17 40.61(13) . . ?
C19 Fe2 C17 68.35(15) . . ?
C13 Fe2 C18 107.15(14) . . ?
C14 Fe2 C18 122.62(13) . . ?
C12 Fe2 C18 123.34(15) . . ?
C20 Fe2 C18 68.15(13) . . ?
C16 Fe2 C18 68.17(12) . . ?
C19 Fe2 C18 40.38(15) . . ?
C17 Fe2 C18 40.65(14) . . ?
C13 Fe2 C15 68.22(15) . . ?
C14 Fe2 C15 40.72(12) . . ?
C12 Fe2 C15 67.33(13) . . ?
C20 Fe2 C15 109.19(13) . . ?
C16 Fe2 C15 123.99(12) . . ?
C19 Fe2 C15 124.06(14) . . ?
C17 Fe2 C15 159.23(12) . . ?
C18 Fe2 C15 159.29(14) . . ?
C13 Fe2 C11 69.11(11) . . ?
C14 Fe2 C11 68.91(11) . . ?
C12 Fe2 C11 40.41(11) . . ?
C20 Fe2 C11 122.09(11) . . ?
C16 Fe2 C11 106.83(11) . . ?
C19 Fe2 C11 158.74(14) . . ?
C17 Fe2 C11 122.32(13) . . ?
C18 Fe2 C11 158.96(15) . . ?
C15 Fe2 C11 40.26(11) . . ?
C23 Fe3 C24 40.69(13) . . ?
C23 Fe3 C26 161.13(14) . . ?
C24 Fe3 C26 156.84(15) . . ?
C23 Fe3 C30 156.29(13) . . ?
C24 Fe3 C30 121.38(13) . . ?
C26 Fe3 C30 40.90(14) . . ?
C23 Fe3 C27 124.11(14) . . ?
C24 Fe3 C27 161.22(14) . . ?
C26 Fe3 C27 40.66(15) . . ?
C30 Fe3 C27 68.59(14) . . ?
C23 Fe3 C29 121.08(13) . . ?
C24 Fe3 C29 107.87(12) . . ?
C26 Fe3 C29 68.32(14) . . ?
C30 Fe3 C29 40.32(14) . . ?
C27 Fe3 C29 68.50(13) . . ?
C23 Fe3 C28 106.89(14) . . ?
C24 Fe3 C28 124.48(13) . . ?
C26 Fe3 C28 68.60(15) . . ?
C30 Fe3 C28 68.60(14) . . ?
C27 Fe3 C28 40.77(14) . . ?
C29 Fe3 C28 40.95(13) . . ?
C23 Fe3 C22 41.09(11) . . ?
C24 Fe3 C22 68.43(12) . . ?
C26 Fe3 C22 124.23(13) . . ?
C30 Fe3 C22 161.36(13) . . ?
C27 Fe3 C22 107.23(13) . . ?
C29 Fe3 C22 156.79(13) . . ?
C28 Fe3 C22 120.90(13) . . ?
C23 Fe3 C25 68.10(12) . . ?
C24 Fe3 C25 40.81(11) . . ?
C26 Fe3 C25 121.63(13) . . ?
C30 Fe3 C25 108.77(13) . . ?
C27 Fe3 C25 156.05(12) . . ?
C29 Fe3 C25 125.88(12) . . ?
C28 Fe3 C25 162.37(12) . . ?
C22 Fe3 C25 67.23(11) . . ?
C23 Fe3 C21 69.10(11) . . ?
C24 Fe3 C21 69.17(10) . . ?
C26 Fe3 C21 106.97(12) . . ?
C30 Fe3 C21 124.81(12) . . ?
C27 Fe3 C21 120.14(12) . . ?
C29 Fe3 C21 161.86(13) . . ?
C28 Fe3 C21 155.45(12) . . ?
C22 Fe3 C21 40.28(11) . . ?
C25 Fe3 C21 40.43(10) . . ?
C34 Fe4 C38 120.46(14) . . ?
C34 Fe4 C36 158.50(13) . . ?
C38 Fe4 C36 68.58(14) . . ?
C34 Fe4 C33 41.03(11) . . ?
C38 Fe4 C33 106.19(13) . . ?
C36 Fe4 C33 159.95(13) . . ?
C34 Fe4 C39 104.72(13) . . ?
C38 Fe4 C39 40.76(13) . . ?
C36 Fe4 C39 68.55(14) . . ?
C33 Fe4 C39 120.94(13) . . ?
C34 Fe4 C35 41.02(11) . . ?
C38 Fe4 C35 157.43(13) . . ?
C36 Fe4 C35 123.94(13) . . ?
C33 Fe4 C35 68.30(11) . . ?
C39 Fe4 C35 121.82(12) . . ?
C34 Fe4 C37 157.47(14) . . ?
C38 Fe4 C37 40.61(14) . . ?
C36 Fe4 C37 40.96(14) . . ?
C33 Fe4 C37 122.63(13) . . ?
C39 Fe4 C37 68.55(13) . . ?
C35 Fe4 C37 160.66(13) . . ?
C34 Fe4 C40 121.17(13) . . ?
C38 Fe4 C40 68.10(13) . . ?
C36 Fe4 C40 40.74(14) . . ?
C33 Fe4 C40 157.07(14) . . ?
C39 Fe4 C40 40.31(14) . . ?
C35 Fe4 C40 107.97(12) . . ?
C37 Fe4 C40 68.40(13) . . ?
C34 Fe4 C32 68.38(11) . . ?
C38 Fe4 C32 123.87(12) . . ?
C36 Fe4 C32 125.04(13) . . ?
C33 Fe4 C32 40.68(12) . . ?
C39 Fe4 C32 158.56(13) . . ?
C35 Fe4 C32 67.08(10) . . ?
C37 Fe4 C32 109.64(12) . . ?
C40 Fe4 C32 160.60(13) . . ?
C34 Fe4 C31 69.26(11) . . ?
C38 Fe4 C31 160.14(12) . . ?
C36 Fe4 C31 109.08(12) . . ?
C33 Fe4 C31 68.89(11) . . ?
C39 Fe4 C31 158.40(11) . . ?
C35 Fe4 C31 40.37(10) . . ?
C37 Fe4 C31 124.69(12) . . ?
C40 Fe4 C31 123.89(12) . . ?
C32 Fe4 C31 40.16(10) . . ?
C2 C1 C5 104.4(2) . . ?
C2 C1 B1 128.4(2) . . ?
C5 C1 B1 126.9(2) . . ?
C2 C1 Fe1 66.64(15) . . ?
C5 C1 Fe1 66.48(14) . . ?
B1 C1 Fe1 135.17(17) . . ?
C1 C2 C3 110.7(3) . . ?
C1 C2 Fe1 73.43(16) . . ?
C3 C2 Fe1 68.90(17) . . ?
C1 C2 H2 124.6 . . ?
C3 C2 H2 124.6 . . ?
Fe1 C2 H2 124.6 . . ?
C4 C3 C2 107.2(2) . . ?
C4 C3 Fe1 69.50(16) . . ?
C2 C3 Fe1 69.94(16) . . ?
C4 C3 H3 126.4 . . ?
C2 C3 H3 126.4 . . ?
Fe1 C3 H3 125.7 . . ?
C3 C4 C5 107.2(3) . . ?
C3 C4 Fe1 69.63(16) . . ?
C5 C4 Fe1 69.89(15) . . ?
C3 C4 H4 126.4 . . ?
C5 C4 H4 126.4 . . ?
Fe1 C4 H4 125.6 . . ?
C4 C5 C1 110.5(2) . . ?
C4 C5 Fe1 68.88(15) . . ?
C1 C5 Fe1 73.40(14) . . ?
C4 C5 H5 124.8 . . ?
C1 C5 H5 124.8 . . ?
Fe1 C5 H5 124.5 . . ?
C7 C6 C10 106.9(4) . . ?
C7 C6 Fe1 70.39(19) . . ?
C10 C6 Fe1 68.50(19) . . ?
C7 C6 H6 126.5 . . ?
C10 C6 H6 126.5 . . ?
Fe1 C6 H6 126.1 . . ?
C8 C7 C6 111.4(4) . . ?
C8 C7 Fe1 70.6(2) . . ?
C6 C7 Fe1 70.27(19) . . ?
C8 C7 H7 124.3 . . ?
C6 C7 H7 124.3 . . ?
Fe1 C7 H7 126.5 . . ?
C7 C8 C9 110.2(4) . . ?
C7 C8 Fe1 71.2(2) . . ?
C9 C8 Fe1 70.3(2) . . ?
C7 C8 H8 124.9 . . ?
C9 C8 H8 124.9 . . ?
Fe1 C8 H8 125.1 . . ?
C8 C9 C10 108.1(4) . . ?
C8 C9 Fe1 70.8(2) . . ?
C10 C9 Fe1 68.5(2) . . ?
C8 C9 H9 126.0 . . ?
C10 C9 H9 126.0 . . ?
Fe1 C9 H9 126.2 . . ?
C6 C10 C9 103.4(3) . . ?
C6 C10 Fe1 69.5(2) . . ?
C9 C10 Fe1 68.7(2) . . ?
C6 C10 H10 128.3 . . ?
C9 C10 H10 128.3 . . ?
Fe1 C10 H10 125.1 . . ?
C15 C11 C12 104.3(2) . . ?
C15 C11 B1 129.4(3) . . ?
C12 C11 B1 126.2(3) . . ?
C15 C11 Fe2 67.57(15) . . ?
C12 C11 Fe2 66.86(15) . . ?
B1 C11 Fe2 131.05(17) . . ?
C13 C12 C11 110.3(3) . . ?
C13 C12 Fe2 68.92(17) . . ?
C11 C12 Fe2 72.73(16) . . ?
C13 C12 H12 124.8 . . ?
C11 C12 H12 124.8 . . ?
Fe2 C12 H12 125.1 . . ?
C14 C13 C12 107.3(3) . . ?
C14 C13 Fe2 69.76(18) . . ?
C12 C13 Fe2 69.98(17) . . ?
C14 C13 H13 126.3 . . ?
C12 C13 H13 126.3 . . ?
Fe2 C13 H13 125.5 . . ?
C13 C14 C15 107.7(3) . . ?
C13 C14 Fe2 69.4(2) . . ?
C15 C14 Fe2 70.65(17) . . ?
C13 C14 H14 126.2 . . ?
C15 C14 H14 126.2 . . ?
Fe2 C14 H14 125.3 . . ?
C14 C15 C11 110.4(3) . . ?
C14 C15 Fe2 68.63(19) . . ?
C11 C15 Fe2 72.18(17) . . ?
C14 C15 H15 124.8 . . ?
C11 C15 H15 124.8 . . ?
Fe2 C15 H15 126.0 . . ?
C20 C16 C17 108.4(3) . . ?
C20 C16 Fe2 69.84(17) . . ?
C17 C16 Fe2 69.82(18) . . ?
C20 C16 H16 125.8 . . ?
C17 C16 H16 125.8 . . ?
Fe2 C16 H16 126.1 . . ?
C16 C17 C18 107.7(3) . . ?
C16 C17 Fe2 69.57(18) . . ?
C18 C17 Fe2 69.9(2) . . ?
C16 C17 H17 126.2 . . ?
C18 C17 H17 126.2 . . ?
Fe2 C17 H17 125.9 . . ?
C19 C18 C17 108.2(3) . . ?
C19 C18 Fe2 69.55(18) . . ?
C17 C18 Fe2 69.45(18) . . ?
C19 C18 H18 125.9 . . ?
C17 C18 H18 125.9 . . ?
Fe2 C18 H18 126.7 . . ?
C18 C19 C20 107.5(3) . . ?
C18 C19 Fe2 70.07(19) . . ?
C20 C19 Fe2 69.38(16) . . ?
C18 C19 H19 126.2 . . ?
C20 C19 H19 126.2 . . ?
Fe2 C19 H19 125.9 . . ?
C16 C20 C19 108.3(3) . . ?
C16 C20 Fe2 69.96(17) . . ?
C19 C20 Fe2 69.68(18) . . ?
C16 C20 H20 125.9 . . ?
C19 C20 H20 125.9 . . ?
Fe2 C20 H20 126.1 . . ?
C22 C21 C25 104.5(2) . . ?
C22 C21 B1 127.1(2) . . ?
C25 C21 B1 128.1(2) . . ?
C22 C21 Fe3 67.55(15) . . ?
C25 C21 Fe3 67.79(14) . . ?
B1 C21 Fe3 133.00(18) . . ?
C23 C22 C21 110.2(3) . . ?
C23 C22 Fe3 68.93(17) . . ?
C21 C22 Fe3 72.16(16) . . ?
C23 C22 H22 124.9 . . ?
C21 C22 H22 124.9 . . ?
Fe3 C22 H22 125.6 . . ?
C24 C23 C22 107.5(3) . . ?
C24 C23 Fe3 69.66(18) . . ?
C22 C23 Fe3 69.99(17) . . ?
C24 C23 H23 126.3 . . ?
C22 C23 H23 126.3 . . ?
Fe3 C23 H23 125.7 . . ?
C23 C24 C25 107.5(2) . . ?
C23 C24 Fe3 69.65(17) . . ?
C25 C24 Fe3 70.42(15) . . ?
C23 C24 H24 126.3 . . ?
C25 C24 H24 126.3 . . ?
Fe3 C24 H24 125.2 . . ?
C24 C25 C21 110.3(2) . . ?
C24 C25 Fe3 68.76(15) . . ?
C21 C25 Fe3 71.78(14) . . ?
C24 C25 H25 124.8 . . ?
C21 C25 H25 124.8 . . ?
Fe3 C25 H25 126.2 . . ?
C27 C26 C30 108.0(3) . . ?
C27 C26 Fe3 69.9(2) . . ?
C30 C26 Fe3 69.60(19) . . ?
C27 C26 H26 126.0 . . ?
C30 C26 H26 126.0 . . ?
Fe3 C26 H26 126.1 . . ?
C26 C27 C28 108.2(3) . . ?
C26 C27 Fe3 69.48(18) . . ?
C28 C27 Fe3 69.85(18) . . ?
C26 C27 H27 125.9 . . ?
C28 C27 H27 125.9 . . ?
Fe3 C27 H27 126.3 . . ?
C27 C28 C29 107.2(3) . . ?
C27 C28 Fe3 69.38(17) . . ?
C29 C28 Fe3 69.37(17) . . ?
C27 C28 H28 126.4 . . ?
C29 C28 H28 126.4 . . ?
Fe3 C28 H28 126.4 . . ?
C30 C29 C28 108.4(3) . . ?
C30 C29 Fe3 69.63(17) . . ?
C28 C29 Fe3 69.68(17) . . ?
C30 C29 H29 125.8 . . ?
C28 C29 H29 125.8 . . ?
Fe3 C29 H29 126.5 . . ?
C29 C30 C26 108.1(3) . . ?
C29 C30 Fe3 70.1(2) . . ?
C26 C30 Fe3 69.50(19) . . ?
C29 C30 H30 126.0 . . ?
C26 C30 H30 126.0 . . ?
Fe3 C30 H30 126.1 . . ?
C32 C31 C35 103.9(2) . . ?
C32 C31 B1 127.1(2) . . ?
C35 C31 B1 127.1(2) . . ?
C32 C31 Fe4 67.36(14) . . ?
C35 C31 Fe4 66.82(14) . . ?
B1 C31 Fe4 141.17(17) . . ?
C33 C32 C31 111.0(2) . . ?
C33 C32 Fe4 69.20(15) . . ?
C31 C32 Fe4 72.48(14) . . ?
C33 C32 H32 124.5 . . ?
C31 C32 H32 124.5 . . ?
Fe4 C32 H32 125.4 . . ?
C32 C33 C34 107.3(3) . . ?
C32 C33 Fe4 70.11(15) . . ?
C34 C33 Fe4 69.14(16) . . ?
C32 C33 H33 126.4 . . ?
C34 C33 H33 126.4 . . ?
Fe4 C33 H33 126.0 . . ?
C35 C34 C33 106.8(3) . . ?
C35 C34 Fe4 69.85(15) . . ?
C33 C34 Fe4 69.83(16) . . ?
C35 C34 H34 126.6 . . ?
C33 C34 H34 126.6 . . ?
Fe4 C34 H34 125.3 . . ?
C34 C35 C31 111.0(2) . . ?
C34 C35 Fe4 69.14(16) . . ?
C31 C35 Fe4 72.81(14) . . ?
C34 C35 H35 124.5 . . ?
C31 C35 H35 124.5 . . ?
Fe4 C35 H35 125.1 . . ?
C40 C36 C37 107.5(3) . . ?
C40 C36 Fe4 69.81(18) . . ?
C37 C36 Fe4 69.68(18) . . ?
C40 C36 H36 126.3 . . ?
C37 C36 H36 126.3 . . ?
Fe4 C36 H36 125.8 . . ?
C38 C37 C36 107.7(3) . . ?
C38 C37 Fe4 69.39(18) . . ?
C36 C37 Fe4 69.37(17) . . ?
C38 C37 H37 126.2 . . ?
C36 C37 H37 126.2 . . ?
Fe4 C37 H37 126.6 . . ?
C37 C38 C39 108.5(3) . . ?
C37 C38 Fe4 70.00(18) . . ?
C39 C38 Fe4 69.87(17) . . ?
C37 C38 H38 125.8 . . ?
C39 C38 H38 125.8 . . ?
Fe4 C38 H38 125.9 . . ?
C40 C39 C38 107.7(3) . . ?
C40 C39 Fe4 69.92(17) . . ?
C38 C39 Fe4 69.37(17) . . ?
C40 C39 H39 126.1 . . ?
C38 C39 H39 126.1 . . ?
Fe4 C39 H39 126.2 . . ?
C39 C40 C36 108.7(3) . . ?
C39 C40 Fe4 69.77(17) . . ?
C36 C40 Fe4 69.45(17) . . ?
C39 C40 H40 125.7 . . ?
C36 C40 H40 125.7 . . ?
Fe4 C40 H40 126.7 . . ?
O61 Li1 O41 113.1(3) . . ?
O61 Li1 O51 107.3(3) . . ?
O41 Li1 O51 106.6(3) . . ?
O61 Li1 O71 111.1(3) . . ?
O41 Li1 O71 109.9(3) . . ?
O51 Li1 O71 108.6(3) . . ?
C42 O41 C45 109.0(3) . . ?
C42 O41 Li1 121.9(3) . . ?
C45 O41 Li1 128.9(3) . . ?
O41 C42 C43 105.7(3) . . ?
O41 C42 H42A 110.6 . . ?
C43 C42 H42A 110.6 . . ?
O41 C42 H42B 110.6 . . ?
C43 C42 H42B 110.6 . . ?
H42A C42 H42B 108.7 . . ?
C42 C43 C44 102.6(3) . . ?
C42 C43 H43A 111.2 . . ?
C44 C43 H43A 111.2 . . ?
C42 C43 H43B 111.2 . . ?
C44 C43 H43B 111.2 . . ?
H43A C43 H43B 109.2 . . ?
C45 C44 C43 103.8(3) . . ?
C45 C44 H44A 111.0 . . ?
C43 C44 H44A 111.0 . . ?
C45 C44 H44B 111.0 . . ?
C43 C44 H44B 111.0 . . ?
H44A C44 H44B 109.0 . . ?
O41 C45 C44 107.4(3) . . ?
O41 C45 H45A 110.2 . . ?
C44 C45 H45A 110.2 . . ?
O41 C45 H45B 110.2 . . ?
C44 C45 H45B 110.2 . . ?
H45A C45 H45B 108.5 . . ?
C52 O51 C55 109.9(3) . . ?
C52 O51 Li1 117.6(3) . . ?
C55 O51 Li1 129.5(3) . . ?
O51 C52 C53 106.3(3) . . ?
O51 C52 H52A 110.5 . . ?
C53 C52 H52A 110.5 . . ?
O51 C52 H52B 110.5 . . ?
C53 C52 H52B 110.5 . . ?
H52A C52 H52B 108.7 . . ?
C52 C53 C54 102.9(4) . . ?
C52 C53 H53A 111.2 . . ?
C54 C53 H53A 111.2 . . ?
C52 C53 H53B 111.2 . . ?
C54 C53 H53B 111.2 . . ?
H53A C53 H53B 109.1 . . ?
C53 C54 C55 101.3(3) . . ?
C53 C54 H54A 111.5 . . ?
C55 C54 H54A 111.5 . . ?
C53 C54 H54B 111.5 . . ?
C55 C54 H54B 111.5 . . ?
H54A C54 H54B 109.3 . . ?
O51 C55 C54 105.0(3) . . ?
O51 C55 H55A 110.7 . . ?
C54 C55 H55A 110.7 . . ?
O51 C55 H55B 110.7 . . ?
C54 C55 H55B 110.7 . . ?
H55A C55 H55B 108.8 . . ?
C65 O61 C62 108.8(3) . . ?
C65 O61 Li1 123.9(3) . . ?
C62 O61 Li1 127.2(3) . . ?
O61 C62 C63 106.5(3) . . ?
O61 C62 H62A 110.4 . . ?
C63 C62 H62A 110.4 . . ?
O61 C62 H62B 110.4 . . ?
C63 C62 H62B 110.4 . . ?
H62A C62 H62B 108.6 . . ?
C64 C63 C62 103.7(3) . . ?
C64 C63 H63A 111.0 . . ?
C62 C63 H63A 111.0 . . ?
C64 C63 H63B 111.0 . . ?
C62 C63 H63B 111.0 . . ?
H63A C63 H63B 109.0 . . ?
C63 C64 C65 101.5(3) . . ?
C63 C64 H64A 111.5 . . ?
C65 C64 H64A 111.5 . . ?
C63 C64 H64B 111.5 . . ?
C65 C64 H64B 111.5 . . ?
H64A C64 H64B 109.3 . . ?
O61 C65 C64 104.4(3) . . ?
O61 C65 H65A 110.9 . . ?
C64 C65 H65A 110.9 . . ?
O61 C65 H65B 110.9 . . ?
C64 C65 H65B 110.9 . . ?
H65A C65 H65B 108.9 . . ?
C72 O71 C75 108.4(3) . . ?
C72 O71 Li1 125.3(3) . . ?
C75 O71 Li1 126.2(3) . . ?
O71 C72 C73 106.8(3) . . ?
O71 C72 H72A 110.4 . . ?
C73 C72 H72A 110.4 . . ?
O71 C72 H72B 110.4 . . ?
C73 C72 H72B 110.4 . . ?
H72A C72 H72B 108.6 . . ?
C74 C73 C72 105.0(3) . . ?
C74 C73 H73A 110.7 . . ?
C72 C73 H73A 110.7 . . ?
C74 C73 H73B 110.7 . . ?
C72 C73 H73B 110.7 . . ?
H73A C73 H73B 108.8 . . ?
C73 C74 C75 103.4(3) . . ?
C73 C74 H74A 111.1 . . ?
C75 C74 H74A 111.1 . . ?
C73 C74 H74B 111.1 . . ?
C75 C74 H74B 111.1 . . ?
H74A C74 H74B 109.0 . . ?
O71 C75 C74 105.3(3) . . ?
O71 C75 H75A 110.7 . . ?
C74 C75 H75A 110.7 . . ?
O71 C75 H75B 110.7 . . ?
C74 C75 H75B 110.7 . . ?
H75A C75 H75B 108.8 . . ?
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
B1 C21 1.634(4) . ?
B1 C31 1.644(4) . ?
B1 C1 1.648(4) . ?
B1 C11 1.653(4) . ?
Fe1 C10 2.027(3) . ?
Fe1 C9 2.030(4) . ?
Fe1 C4 2.033(3) . ?
Fe1 C3 2.035(3) . ?
Fe1 C8 2.035(4) . ?
Fe1 C6 2.041(3) . ?
Fe1 C7 2.043(3) . ?
Fe1 C5 2.046(3) . ?
Fe1 C2 2.048(3) . ?
Fe1 C1 2.139(3) . ?
Fe2 C13 2.030(3) . ?
Fe2 C14 2.034(3) . ?
Fe2 C12 2.044(3) . ?
Fe2 C20 2.049(3) . ?
Fe2 C16 2.050(3) . ?
Fe2 C19 2.053(3) . ?
Fe2 C17 2.054(3) . ?
Fe2 C18 2.060(3) . ?
Fe2 C15 2.061(3) . ?
Fe2 C11 2.123(3) . ?
Fe3 C23 2.040(3) . ?
Fe3 C24 2.040(3) . ?
Fe3 C26 2.042(3) . ?
Fe3 C30 2.044(3) . ?
Fe3 C27 2.047(3) . ?
Fe3 C29 2.049(3) . ?
Fe3 C28 2.054(3) . ?
Fe3 C22 2.054(3) . ?
Fe3 C25 2.062(3) . ?
Fe3 C21 2.116(2) . ?
Fe4 C34 2.037(3) . ?
Fe4 C38 2.040(3) . ?
Fe4 C36 2.044(3) . ?
Fe4 C33 2.047(3) . ?
Fe4 C39 2.047(3) . ?
Fe4 C35 2.047(3) . ?
Fe4 C37 2.048(3) . ?
Fe4 C40 2.048(3) . ?
Fe4 C32 2.059(3) . ?
Fe4 C31 2.127(3) . ?
C1 C2 1.432(4) . ?
C1 C5 1.438(4) . ?
C2 C3 1.435(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.420(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.436(4) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.375(5) . ?
C6 C10 1.457(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.334(6) . ?
C7 H7 0.9500 . ?
C8 C9 1.352(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.478(7) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C15 1.441(4) . ?
C11 C12 1.441(4) . ?
C12 C13 1.430(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.417(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.425(4) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C20 1.409(5) . ?
C16 C17 1.424(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.429(5) . ?
C17 H17 0.9500 . ?
C18 C19 1.419(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.435(4) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.437(4) . ?
C21 C25 1.445(3) . ?
C22 C23 1.437(4) . ?
C22 H22 0.9500 . ?
C23 C24 1.419(4) . ?
C23 H23 0.9500 . ?
C24 C25 1.431(4) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 C27 1.421(5) . ?
C26 C30 1.428(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.429(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.435(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.411(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.439(4) . ?
C31 C35 1.442(4) . ?
C32 C33 1.427(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.431(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.431(4) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 C40 1.425(5) . ?
C36 C37 1.431(5) . ?
C36 H36 0.9500 . ?
C37 C38 1.418(5) . ?
C37 H37 0.9500 . ?
C38 C39 1.423(5) . ?
C38 H38 0.9500 . ?
C39 C40 1.411(5) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
Li1 O61 1.916(7) . ?
Li1 O41 1.916(6) . ?
Li1 O51 1.927(7) . ?
Li1 O71 1.945(6) . ?
O41 C42 1.424(4) . ?
O41 C45 1.450(4) . ?
C42 C43 1.508(5) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.522(5) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 C45 1.498(5) . ?
C44 H44A 0.9900 . ?
C44 H44B 0.9900 . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
O51 C52 1.423(4) . ?
O51 C55 1.427(4) . ?
C52 C53 1.500(6) . ?
C52 H52A 0.9900 . ?
C52 H52B 0.9900 . ?
C53 C54 1.508(6) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.510(6) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 H55A 0.9900 . ?
C55 H55B 0.9900 . ?
O61 C65 1.423(4) . ?
O61 C62 1.458(4) . ?
C62 C63 1.502(5) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.498(5) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.532(5) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
O71 C72 1.437(4) . ?
O71 C75 1.453(4) . ?
C72 C73 1.511(5) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C73 C74 1.467(6) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.505(5) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 H75A 0.9900 . ?
C75 H75B 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_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C21 B1 C1 C2 112.4(3) . . . . ?
C31 B1 C1 C2 -13.7(3) . . . . ?
C11 B1 C1 C2 -127.5(3) . . . . ?
C21 B1 C1 C5 -74.9(3) . . . . ?
C31 B1 C1 C5 159.0(2) . . . . ?
C11 B1 C1 C5 45.2(3) . . . . ?
C21 B1 C1 Fe1 17.9(3) . . . . ?
C31 B1 C1 Fe1 -108.2(3) . . . . ?
C11 B1 C1 Fe1 137.9(2) . . . . ?
C10 Fe1 C1 C2 -159.6(2) . . . . ?
C9 Fe1 C1 C2 163.9(4) . . . . ?
C4 Fe1 C1 C2 81.37(17) . . . . ?
C3 Fe1 C1 C2 37.39(17) . . . . ?
C8 Fe1 C1 C2 -40.2(4) . . . . ?
C6 Fe1 C1 C2 -114.9(2) . . . . ?
C7 Fe1 C1 C2 -74.3(2) . . . . ?
C5 Fe1 C1 C2 118.9(2) . . . . ?
C10 Fe1 C1 C5 81.6(2) . . . . ?
C9 Fe1 C1 C5 45.0(4) . . . . ?
C4 Fe1 C1 C5 -37.53(16) . . . . ?
C3 Fe1 C1 C5 -81.51(17) . . . . ?
C8 Fe1 C1 C5 -159.1(4) . . . . ?
C6 Fe1 C1 C5 126.16(19) . . . . ?
C7 Fe1 C1 C5 166.85(19) . . . . ?
C2 Fe1 C1 C5 -118.9(2) . . . . ?
C10 Fe1 C1 B1 -37.9(3) . . . . ?
C9 Fe1 C1 B1 -74.4(5) . . . . ?
C4 Fe1 C1 B1 -157.0(3) . . . . ?
C3 Fe1 C1 B1 159.0(3) . . . . ?
C8 Fe1 C1 B1 81.4(5) . . . . ?
C6 Fe1 C1 B1 6.7(3) . . . . ?
C7 Fe1 C1 B1 47.4(3) . . . . ?
C5 Fe1 C1 B1 -119.5(3) . . . . ?
C2 Fe1 C1 B1 121.6(3) . . . . ?
C5 C1 C2 C3 -3.1(3) . . . . ?
B1 C1 C2 C3 170.9(2) . . . . ?
Fe1 C1 C2 C3 -59.07(19) . . . . ?
C5 C1 C2 Fe1 55.98(17) . . . . ?
B1 C1 C2 Fe1 -130.0(2) . . . . ?
C10 Fe1 C2 C1 49.1(4) . . . . ?
C9 Fe1 C2 C1 -166.1(4) . . . . ?
C4 Fe1 C2 C1 -82.36(16) . . . . ?
C3 Fe1 C2 C1 -120.7(2) . . . . ?
C8 Fe1 C2 C1 164.2(2) . . . . ?
C6 Fe1 C2 C1 83.8(2) . . . . ?
C7 Fe1 C2 C1 124.97(18) . . . . ?
C5 Fe1 C2 C1 -37.71(15) . . . . ?
C10 Fe1 C2 C3 169.8(3) . . . . ?
C9 Fe1 C2 C3 -45.4(4) . . . . ?
C4 Fe1 C2 C3 38.32(16) . . . . ?
C8 Fe1 C2 C3 -75.1(2) . . . . ?
C6 Fe1 C2 C3 -155.53(18) . . . . ?
C7 Fe1 C2 C3 -114.4(2) . . . . ?
C5 Fe1 C2 C3 82.96(17) . . . . ?
C1 Fe1 C2 C3 120.7(2) . . . . ?
C1 C2 C3 C4 2.0(3) . . . . ?
Fe1 C2 C3 C4 -59.80(19) . . . . ?
C1 C2 C3 Fe1 61.80(19) . . . . ?
C10 Fe1 C3 C4 -49.7(5) . . . . ?
C9 Fe1 C3 C4 -80.2(2) . . . . ?
C8 Fe1 C3 C4 -119.1(2) . . . . ?
C6 Fe1 C3 C4 172.6(3) . . . . ?
C7 Fe1 C3 C4 -157.9(2) . . . . ?
C5 Fe1 C3 C4 38.64(17) . . . . ?
C2 Fe1 C3 C4 118.2(2) . . . . ?
C1 Fe1 C3 C4 81.85(17) . . . . ?
C10 Fe1 C3 C2 -167.8(4) . . . . ?
C9 Fe1 C3 C2 161.7(2) . . . . ?
C4 Fe1 C3 C2 -118.2(2) . . . . ?
C8 Fe1 C3 C2 122.7(2) . . . . ?
C6 Fe1 C3 C2 54.4(3) . . . . ?
C7 Fe1 C3 C2 83.9(2) . . . . ?
C5 Fe1 C3 C2 -79.52(17) . . . . ?
C1 Fe1 C3 C2 -36.31(15) . . . . ?
C2 C3 C4 C5 0.0(3) . . . . ?
Fe1 C3 C4 C5 -60.10(18) . . . . ?
C2 C3 C4 Fe1 60.08(19) . . . . ?
C10 Fe1 C4 C3 162.3(2) . . . . ?
C9 Fe1 C4 C3 118.3(2) . . . . ?
C8 Fe1 C4 C3 78.0(3) . . . . ?
C6 Fe1 C4 C3 -167.7(5) . . . . ?
C7 Fe1 C4 C3 48.6(4) . . . . ?
C5 Fe1 C4 C3 -118.1(2) . . . . ?
C2 Fe1 C4 C3 -38.57(16) . . . . ?
C1 Fe1 C4 C3 -81.56(18) . . . . ?
C10 Fe1 C4 C5 -79.6(3) . . . . ?
C9 Fe1 C4 C5 -123.6(2) . . . . ?
C3 Fe1 C4 C5 118.1(2) . . . . ?
C8 Fe1 C4 C5 -163.9(2) . . . . ?
C6 Fe1 C4 C5 -49.6(6) . . . . ?
C7 Fe1 C4 C5 166.7(3) . . . . ?
C2 Fe1 C4 C5 79.55(18) . . . . ?
C1 Fe1 C4 C5 36.55(16) . . . . ?
C3 C4 C5 C1 -2.0(3) . . . . ?
Fe1 C4 C5 C1 -61.89(18) . . . . ?
C3 C4 C5 Fe1 59.93(19) . . . . ?
C2 C1 C5 C4 3.1(3) . . . . ?
B1 C1 C5 C4 -171.0(2) . . . . ?
Fe1 C1 C5 C4 59.16(18) . . . . ?
C2 C1 C5 Fe1 -56.08(17) . . . . ?
B1 C1 C5 Fe1 129.8(2) . . . . ?
C10 Fe1 C5 C4 121.4(3) . . . . ?
C9 Fe1 C5 C4 76.0(3) . . . . ?
C3 Fe1 C5 C4 -38.32(18) . . . . ?
C8 Fe1 C5 C4 39.8(5) . . . . ?
C6 Fe1 C5 C4 165.2(2) . . . . ?
C7 Fe1 C5 C4 -159.8(5) . . . . ?
C2 Fe1 C5 C4 -82.88(18) . . . . ?
C1 Fe1 C5 C4 -120.4(2) . . . . ?
C10 Fe1 C5 C1 -118.2(2) . . . . ?
C9 Fe1 C5 C1 -163.6(2) . . . . ?
C4 Fe1 C5 C1 120.4(2) . . . . ?
C3 Fe1 C5 C1 82.10(17) . . . . ?
C8 Fe1 C5 C1 160.2(4) . . . . ?
C6 Fe1 C5 C1 -74.4(2) . . . . ?
C7 Fe1 C5 C1 -39.3(6) . . . . ?
C2 Fe1 C5 C1 37.54(15) . . . . ?
C10 Fe1 C6 C7 -118.2(4) . . . . ?
C9 Fe1 C6 C7 -76.6(3) . . . . ?
C4 Fe1 C6 C7 -155.9(5) . . . . ?
C3 Fe1 C6 C7 42.6(4) . . . . ?
C8 Fe1 C6 C7 -34.6(3) . . . . ?
C5 Fe1 C6 C7 164.7(2) . . . . ?
C2 Fe1 C6 C7 81.1(3) . . . . ?
C1 Fe1 C6 C7 123.6(3) . . . . ?
C9 Fe1 C6 C10 41.6(3) . . . . ?
C4 Fe1 C6 C10 -37.7(6) . . . . ?
C3 Fe1 C6 C10 160.8(3) . . . . ?
C8 Fe1 C6 C10 83.6(3) . . . . ?
C7 Fe1 C6 C10 118.2(4) . . . . ?
C5 Fe1 C6 C10 -77.1(3) . . . . ?
C2 Fe1 C6 C10 -160.7(2) . . . . ?
C1 Fe1 C6 C10 -118.2(2) . . . . ?
C10 C6 C7 C8 -0.3(4) . . . . ?
Fe1 C6 C7 C8 58.7(3) . . . . ?
C10 C6 C7 Fe1 -59.0(2) . . . . ?
C10 Fe1 C7 C8 -83.1(4) . . . . ?
C9 Fe1 C7 C8 -36.4(3) . . . . ?
C4 Fe1 C7 C8 43.1(5) . . . . ?
C3 Fe1 C7 C8 77.4(3) . . . . ?
C6 Fe1 C7 C8 -122.6(4) . . . . ?
C5 Fe1 C7 C8 -168.4(5) . . . . ?
C2 Fe1 C7 C8 120.8(3) . . . . ?
C1 Fe1 C7 C8 161.4(3) . . . . ?
C10 Fe1 C7 C6 39.5(3) . . . . ?
C9 Fe1 C7 C6 86.1(3) . . . . ?
C4 Fe1 C7 C6 165.6(3) . . . . ?
C3 Fe1 C7 C6 -160.1(2) . . . . ?
C8 Fe1 C7 C6 122.6(4) . . . . ?
C5 Fe1 C7 C6 -45.8(6) . . . . ?
C2 Fe1 C7 C6 -116.6(2) . . . . ?
C1 Fe1 C7 C6 -76.1(3) . . . . ?
C6 C7 C8 C9 1.3(5) . . . . ?
Fe1 C7 C8 C9 59.8(3) . . . . ?
C6 C7 C8 Fe1 -58.5(3) . . . . ?
C10 Fe1 C8 C7 81.1(3) . . . . ?
C9 Fe1 C8 C7 120.5(4) . . . . ?
C4 Fe1 C8 C7 -159.7(3) . . . . ?
C3 Fe1 C8 C7 -118.1(3) . . . . ?
C6 Fe1 C8 C7 35.6(3) . . . . ?
C5 Fe1 C8 C7 170.9(3) . . . . ?
C2 Fe1 C8 C7 -76.8(3) . . . . ?
C1 Fe1 C8 C7 -47.2(5) . . . . ?
C10 Fe1 C8 C9 -39.4(3) . . . . ?
C4 Fe1 C8 C9 79.8(3) . . . . ?
C3 Fe1 C8 C9 121.4(3) . . . . ?
C6 Fe1 C8 C9 -84.9(3) . . . . ?
C7 Fe1 C8 C9 -120.5(4) . . . . ?
C5 Fe1 C8 C9 50.4(5) . . . . ?
C2 Fe1 C8 C9 162.7(2) . . . . ?
C1 Fe1 C8 C9 -167.7(3) . . . . ?
C7 C8 C9 C10 -1.7(4) . . . . ?
Fe1 C8 C9 C10 58.6(2) . . . . ?
C7 C8 C9 Fe1 -60.3(3) . . . . ?
C10 Fe1 C9 C8 119.3(4) . . . . ?
C4 Fe1 C9 C8 -117.4(3) . . . . ?
C3 Fe1 C9 C8 -74.8(3) . . . . ?
C6 Fe1 C9 C8 78.5(3) . . . . ?
C7 Fe1 C9 C8 35.8(3) . . . . ?
C5 Fe1 C9 C8 -159.5(2) . . . . ?
C2 Fe1 C9 C8 -41.5(5) . . . . ?
C1 Fe1 C9 C8 166.7(3) . . . . ?
C4 Fe1 C9 C10 123.3(2) . . . . ?
C3 Fe1 C9 C10 165.9(2) . . . . ?
C8 Fe1 C9 C10 -119.3(4) . . . . ?
C6 Fe1 C9 C10 -40.8(2) . . . . ?
C7 Fe1 C9 C10 -83.5(3) . . . . ?
C5 Fe1 C9 C10 81.2(3) . . . . ?
C2 Fe1 C9 C10 -160.8(3) . . . . ?
C1 Fe1 C9 C10 47.4(5) . . . . ?
C7 C6 C10 C9 -0.6(3) . . . . ?
Fe1 C6 C10 C9 -60.8(2) . . . . ?
C7 C6 C10 Fe1 60.2(2) . . . . ?
C8 C9 C10 C6 1.4(4) . . . . ?
Fe1 C9 C10 C6 61.4(2) . . . . ?
C8 C9 C10 Fe1 -60.0(3) . . . . ?
C9 Fe1 C10 C6 -114.2(3) . . . . ?
C4 Fe1 C10 C6 168.53(19) . . . . ?
C3 Fe1 C10 C6 -153.8(4) . . . . ?
C8 Fe1 C10 C6 -78.3(2) . . . . ?
C7 Fe1 C10 C6 -37.1(2) . . . . ?
C5 Fe1 C10 C6 125.0(2) . . . . ?
C2 Fe1 C10 C6 47.1(4) . . . . ?
C1 Fe1 C10 C6 82.4(2) . . . . ?
C4 Fe1 C10 C9 -77.2(3) . . . . ?
C3 Fe1 C10 C9 -39.6(5) . . . . ?
C8 Fe1 C10 C9 36.0(2) . . . . ?
C6 Fe1 C10 C9 114.2(3) . . . . ?
C7 Fe1 C10 C9 77.2(3) . . . . ?
C5 Fe1 C10 C9 -120.7(2) . . . . ?
C2 Fe1 C10 C9 161.4(3) . . . . ?
C1 Fe1 C10 C9 -163.3(2) . . . . ?
C21 B1 C11 C15 63.0(3) . . . . ?
C31 B1 C11 C15 -176.3(2) . . . . ?
C1 B1 C11 C15 -57.1(3) . . . . ?
C21 B1 C11 C12 -113.9(3) . . . . ?
C31 B1 C11 C12 6.7(3) . . . . ?
C1 B1 C11 C12 125.9(3) . . . . ?
C21 B1 C11 Fe2 156.5(2) . . . . ?
C31 B1 C11 Fe2 -82.9(3) . . . . ?
C1 B1 C11 Fe2 36.4(4) . . . . ?
C13 Fe2 C11 C15 -80.6(2) . . . . ?
C14 Fe2 C11 C15 -36.72(19) . . . . ?
C12 Fe2 C11 C15 -117.8(2) . . . . ?
C20 Fe2 C11 C15 81.9(2) . . . . ?
C16 Fe2 C11 C15 123.14(18) . . . . ?
C19 Fe2 C11 C15 49.8(4) . . . . ?
C17 Fe2 C11 C15 164.79(18) . . . . ?
C18 Fe2 C11 C15 -164.1(3) . . . . ?
C13 Fe2 C11 C12 37.3(2) . . . . ?
C14 Fe2 C11 C12 81.1(2) . . . . ?
C20 Fe2 C11 C12 -160.23(19) . . . . ?
C16 Fe2 C11 C12 -119.0(2) . . . . ?
C19 Fe2 C11 C12 167.7(3) . . . . ?
C17 Fe2 C11 C12 -77.4(2) . . . . ?
C18 Fe2 C11 C12 -46.2(4) . . . . ?
C15 Fe2 C11 C12 117.8(2) . . . . ?
C13 Fe2 C11 B1 156.0(3) . . . . ?
C14 Fe2 C11 B1 -160.2(3) . . . . ?
C12 Fe2 C11 B1 118.7(3) . . . . ?
C20 Fe2 C11 B1 -41.5(3) . . . . ?
C16 Fe2 C11 B1 -0.3(3) . . . . ?
C19 Fe2 C11 B1 -73.6(5) . . . . ?
C17 Fe2 C11 B1 41.3(3) . . . . ?
C18 Fe2 C11 B1 72.5(4) . . . . ?
C15 Fe2 C11 B1 -123.4(3) . . . . ?
C15 C11 C12 C13 -1.4(3) . . . . ?
B1 C11 C12 C13 176.2(2) . . . . ?
Fe2 C11 C12 C13 -58.9(2) . . . . ?
C15 C11 C12 Fe2 57.51(17) . . . . ?
B1 C11 C12 Fe2 -124.9(2) . . . . ?
C14 Fe2 C12 C13 38.3(2) . . . . ?
C20 Fe2 C12 C13 168.1(3) . . . . ?
C16 Fe2 C12 C13 -160.6(2) . . . . ?
C19 Fe2 C12 C13 -46.3(5) . . . . ?
C17 Fe2 C12 C13 -118.8(2) . . . . ?
C18 Fe2 C12 C13 -77.5(3) . . . . ?
C15 Fe2 C12 C13 82.4(2) . . . . ?
C11 Fe2 C12 C13 120.6(3) . . . . ?
C13 Fe2 C12 C11 -120.6(3) . . . . ?
C14 Fe2 C12 C11 -82.4(2) . . . . ?
C20 Fe2 C12 C11 47.5(4) . . . . ?
C16 Fe2 C12 C11 78.8(2) . . . . ?
C19 Fe2 C12 C11 -167.0(4) . . . . ?
C17 Fe2 C12 C11 120.58(18) . . . . ?
C18 Fe2 C12 C11 161.92(18) . . . . ?
C15 Fe2 C12 C11 -38.26(17) . . . . ?
C11 C12 C13 C14 1.2(4) . . . . ?
Fe2 C12 C13 C14 -60.0(2) . . . . ?
C11 C12 C13 Fe2 61.2(2) . . . . ?
C12 Fe2 C13 C14 118.2(3) . . . . ?
C20 Fe2 C13 C14 -47.7(5) . . . . ?
C16 Fe2 C13 C14 165.3(3) . . . . ?
C19 Fe2 C13 C14 -79.1(2) . . . . ?
C17 Fe2 C13 C14 -162.52(18) . . . . ?
C18 Fe2 C13 C14 -120.4(2) . . . . ?
C15 Fe2 C13 C14 38.18(17) . . . . ?
C11 Fe2 C13 C14 81.53(19) . . . . ?
C14 Fe2 C13 C12 -118.2(3) . . . . ?
C20 Fe2 C13 C12 -165.9(4) . . . . ?
C16 Fe2 C13 C12 47.1(4) . . . . ?
C19 Fe2 C13 C12 162.7(2) . . . . ?
C17 Fe2 C13 C12 79.3(2) . . . . ?
C18 Fe2 C13 C12 121.4(2) . . . . ?
C15 Fe2 C13 C12 -80.0(2) . . . . ?
C11 Fe2 C13 C12 -36.7(2) . . . . ?
C12 C13 C14 C15 -0.4(4) . . . . ?
Fe2 C13 C14 C15 -60.6(2) . . . . ?
C12 C13 C14 Fe2 60.2(2) . . . . ?
C12 Fe2 C14 C13 -38.54(17) . . . . ?
C20 Fe2 C14 C13 162.76(17) . . . . ?
C16 Fe2 C14 C13 -162.9(3) . . . . ?
C19 Fe2 C14 C13 120.36(19) . . . . ?
C17 Fe2 C14 C13 42.8(4) . . . . ?
C18 Fe2 C14 C13 78.1(2) . . . . ?
C15 Fe2 C14 C13 -118.4(3) . . . . ?
C11 Fe2 C14 C13 -82.06(18) . . . . ?
C13 Fe2 C14 C15 118.4(3) . . . . ?
C12 Fe2 C14 C15 79.84(19) . . . . ?
C20 Fe2 C14 C15 -78.9(2) . . . . ?
C16 Fe2 C14 C15 -44.5(4) . . . . ?
C19 Fe2 C14 C15 -121.3(2) . . . . ?
C17 Fe2 C14 C15 161.2(3) . . . . ?
C18 Fe2 C14 C15 -163.5(2) . . . . ?
C11 Fe2 C14 C15 36.32(18) . . . . ?
C13 C14 C15 C11 -0.4(3) . . . . ?
Fe2 C14 C15 C11 -60.27(19) . . . . ?
C13 C14 C15 Fe2 59.8(2) . . . . ?
C12 C11 C15 C14 1.1(3) . . . . ?
B1 C11 C15 C14 -176.4(2) . . . . ?
Fe2 C11 C15 C14 58.2(2) . . . . ?
C12 C11 C15 Fe2 -57.04(18) . . . . ?
B1 C11 C15 Fe2 125.5(3) . . . . ?
C13 Fe2 C15 C14 -38.3(2) . . . . ?
C12 Fe2 C15 C14 -82.8(2) . . . . ?
C20 Fe2 C15 C14 121.4(2) . . . . ?
C16 Fe2 C15 C14 163.6(2) . . . . ?
C19 Fe2 C15 C14 78.3(2) . . . . ?
C17 Fe2 C15 C14 -159.9(4) . . . . ?
C18 Fe2 C15 C14 42.6(5) . . . . ?
C11 Fe2 C15 C14 -121.2(3) . . . . ?
C13 Fe2 C15 C11 82.97(19) . . . . ?
C14 Fe2 C15 C11 121.2(3) . . . . ?
C12 Fe2 C15 C11 38.41(16) . . . . ?
C20 Fe2 C15 C11 -117.36(17) . . . . ?
C16 Fe2 C15 C11 -75.2(2) . . . . ?
C19 Fe2 C15 C11 -160.47(17) . . . . ?
C17 Fe2 C15 C11 -38.7(5) . . . . ?
C18 Fe2 C15 C11 163.8(3) . . . . ?
C13 Fe2 C16 C20 163.9(3) . . . . ?
C14 Fe2 C16 C20 -45.9(4) . . . . ?
C12 Fe2 C16 C20 -161.77(18) . . . . ?
C19 Fe2 C16 C20 37.92(19) . . . . ?
C17 Fe2 C16 C20 119.5(3) . . . . ?
C18 Fe2 C16 C20 81.5(2) . . . . ?
C15 Fe2 C16 C20 -79.4(2) . . . . ?
C11 Fe2 C16 C20 -120.14(18) . . . . ?
C13 Fe2 C16 C17 44.4(4) . . . . ?
C14 Fe2 C16 C17 -165.4(3) . . . . ?
C12 Fe2 C16 C17 78.7(2) . . . . ?
C20 Fe2 C16 C17 -119.5(3) . . . . ?
C19 Fe2 C16 C17 -81.6(2) . . . . ?
C18 Fe2 C16 C17 -38.0(2) . . . . ?
C15 Fe2 C16 C17 161.1(2) . . . . ?
C11 Fe2 C16 C17 120.4(2) . . . . ?
C20 C16 C17 C18 0.3(3) . . . . ?
Fe2 C16 C17 C18 59.8(2) . . . . ?
C20 C16 C17 Fe2 -59.4(2) . . . . ?
C13 Fe2 C17 C16 -161.52(18) . . . . ?
C14 Fe2 C17 C16 167.2(3) . . . . ?
C12 Fe2 C17 C16 -119.1(2) . . . . ?
C20 Fe2 C17 C16 37.26(19) . . . . ?
C19 Fe2 C17 C16 81.5(2) . . . . ?
C18 Fe2 C17 C16 118.8(3) . . . . ?
C15 Fe2 C17 C16 -49.2(5) . . . . ?
C11 Fe2 C17 C16 -77.8(2) . . . . ?
C13 Fe2 C17 C18 79.7(2) . . . . ?
C14 Fe2 C17 C18 48.4(5) . . . . ?
C12 Fe2 C17 C18 122.1(2) . . . . ?
C20 Fe2 C17 C18 -81.5(2) . . . . ?
C16 Fe2 C17 C18 -118.8(3) . . . . ?
C19 Fe2 C17 C18 -37.3(2) . . . . ?
C15 Fe2 C17 C18 -168.0(4) . . . . ?
C11 Fe2 C17 C18 163.4(2) . . . . ?
C16 C17 C18 C19 -0.6(4) . . . . ?
Fe2 C17 C18 C19 58.9(2) . . . . ?
C16 C17 C18 Fe2 -59.6(2) . . . . ?
C13 Fe2 C18 C19 121.9(2) . . . . ?
C14 Fe2 C18 C19 79.9(2) . . . . ?
C12 Fe2 C18 C19 164.10(19) . . . . ?
C20 Fe2 C18 C19 -38.3(2) . . . . ?
C16 Fe2 C18 C19 -81.8(2) . . . . ?
C17 Fe2 C18 C19 -119.7(3) . . . . ?
C15 Fe2 C18 C19 48.3(5) . . . . ?
C11 Fe2 C18 C19 -161.8(3) . . . . ?
C13 Fe2 C18 C17 -118.4(2) . . . . ?
C14 Fe2 C18 C17 -160.4(2) . . . . ?
C12 Fe2 C18 C17 -76.2(2) . . . . ?
C20 Fe2 C18 C17 81.4(2) . . . . ?
C16 Fe2 C18 C17 37.9(2) . . . . ?
C19 Fe2 C18 C17 119.7(3) . . . . ?
C15 Fe2 C18 C17 168.0(3) . . . . ?
C11 Fe2 C18 C17 -42.1(4) . . . . ?
C17 C18 C19 C20 0.6(4) . . . . ?
Fe2 C18 C19 C20 59.5(2) . . . . ?
C17 C18 C19 Fe2 -58.9(2) . . . . ?
C13 Fe2 C19 C18 -76.6(3) . . . . ?
C14 Fe2 C19 C18 -119.1(2) . . . . ?
C12 Fe2 C19 C18 -41.8(5) . . . . ?
C20 Fe2 C19 C18 118.6(3) . . . . ?
C16 Fe2 C19 C18 81.4(2) . . . . ?
C17 Fe2 C19 C18 37.5(2) . . . . ?
C15 Fe2 C19 C18 -161.41(19) . . . . ?
C11 Fe2 C19 C18 162.0(3) . . . . ?
C13 Fe2 C19 C20 164.8(2) . . . . ?
C14 Fe2 C19 C20 122.3(2) . . . . ?
C12 Fe2 C19 C20 -160.4(4) . . . . ?
C16 Fe2 C19 C20 -37.2(2) . . . . ?
C17 Fe2 C19 C20 -81.1(2) . . . . ?
C18 Fe2 C19 C20 -118.6(3) . . . . ?
C15 Fe2 C19 C20 80.0(2) . . . . ?
C11 Fe2 C19 C20 43.4(4) . . . . ?
C17 C16 C20 C19 0.0(3) . . . . ?
Fe2 C16 C20 C19 -59.4(2) . . . . ?
C17 C16 C20 Fe2 59.4(2) . . . . ?
C18 C19 C20 C16 -0.4(3) . . . . ?
Fe2 C19 C20 C16 59.5(2) . . . . ?
C18 C19 C20 Fe2 -60.0(2) . . . . ?
C13 Fe2 C20 C16 -160.9(4) . . . . ?
C14 Fe2 C20 C16 163.02(17) . . . . ?
C12 Fe2 C20 C16 43.4(4) . . . . ?
C19 Fe2 C20 C16 -119.4(3) . . . . ?
C17 Fe2 C20 C16 -37.63(18) . . . . ?
C18 Fe2 C20 C16 -81.6(2) . . . . ?
C15 Fe2 C20 C16 120.36(17) . . . . ?
C11 Fe2 C20 C16 77.7(2) . . . . ?
C13 Fe2 C20 C19 -41.5(5) . . . . ?
C14 Fe2 C20 C19 -77.6(2) . . . . ?
C12 Fe2 C20 C19 162.8(3) . . . . ?
C16 Fe2 C20 C19 119.4(3) . . . . ?
C17 Fe2 C20 C19 81.8(2) . . . . ?
C18 Fe2 C20 C19 37.8(2) . . . . ?
C15 Fe2 C20 C19 -120.3(2) . . . . ?
C11 Fe2 C20 C19 -162.9(2) . . . . ?
C31 B1 C21 C22 -164.6(2) . . . . ?
C1 B1 C21 C22 70.0(3) . . . . ?
C11 B1 C21 C22 -50.2(4) . . . . ?
C31 B1 C21 C25 22.6(4) . . . . ?
C1 B1 C21 C25 -102.8(3) . . . . ?
C11 B1 C21 C25 137.0(3) . . . . ?
C31 B1 C21 Fe3 -71.7(3) . . . . ?
C1 B1 C21 Fe3 162.94(19) . . . . ?
C11 B1 C21 Fe3 42.8(3) . . . . ?
C23 Fe3 C21 C22 -37.13(17) . . . . ?
C24 Fe3 C21 C22 -80.82(18) . . . . ?
C26 Fe3 C21 C22 123.34(18) . . . . ?
C30 Fe3 C21 C22 164.72(18) . . . . ?
C27 Fe3 C21 C22 81.1(2) . . . . ?
C29 Fe3 C21 C22 -164.7(4) . . . . ?
C28 Fe3 C21 C22 47.8(4) . . . . ?
C25 Fe3 C21 C22 -117.5(2) . . . . ?
C23 Fe3 C21 C25 80.36(18) . . . . ?
C24 Fe3 C21 C25 36.67(17) . . . . ?
C26 Fe3 C21 C25 -119.17(19) . . . . ?
C30 Fe3 C21 C25 -77.8(2) . . . . ?
C27 Fe3 C21 C25 -161.44(19) . . . . ?
C29 Fe3 C21 C25 -47.2(4) . . . . ?
C28 Fe3 C21 C25 165.3(3) . . . . ?
C22 Fe3 C21 C25 117.5(2) . . . . ?
C23 Fe3 C21 B1 -157.6(3) . . . . ?
C24 Fe3 C21 B1 158.7(3) . . . . ?
C26 Fe3 C21 B1 2.8(3) . . . . ?
C30 Fe3 C21 B1 44.2(3) . . . . ?
C27 Fe3 C21 B1 -39.4(3) . . . . ?
C29 Fe3 C21 B1 74.8(5) . . . . ?
C28 Fe3 C21 B1 -72.7(4) . . . . ?
C22 Fe3 C21 B1 -120.5(3) . . . . ?
C25 Fe3 C21 B1 122.0(3) . . . . ?
C25 C21 C22 C23 0.6(3) . . . . ?
B1 C21 C22 C23 -173.6(2) . . . . ?
Fe3 C21 C22 C23 58.6(2) . . . . ?
C25 C21 C22 Fe3 -58.03(17) . . . . ?
B1 C21 C22 Fe3 127.8(2) . . . . ?
C24 Fe3 C22 C23 -38.08(18) . . . . ?
C26 Fe3 C22 C23 163.98(19) . . . . ?
C30 Fe3 C22 C23 -163.5(4) . . . . ?
C27 Fe3 C22 C23 122.54(19) . . . . ?
C29 Fe3 C22 C23 47.1(4) . . . . ?
C28 Fe3 C22 C23 80.1(2) . . . . ?
C25 Fe3 C22 C23 -82.29(18) . . . . ?
C21 Fe3 C22 C23 -120.9(2) . . . . ?
C23 Fe3 C22 C21 120.9(2) . . . . ?
C24 Fe3 C22 C21 82.82(17) . . . . ?
C26 Fe3 C22 C21 -75.1(2) . . . . ?
C30 Fe3 C22 C21 -42.6(4) . . . . ?
C27 Fe3 C22 C21 -116.57(18) . . . . ?
C29 Fe3 C22 C21 167.9(3) . . . . ?
C28 Fe3 C22 C21 -158.97(17) . . . . ?
C25 Fe3 C22 C21 38.60(15) . . . . ?
C21 C22 C23 C24 -0.7(3) . . . . ?
Fe3 C22 C23 C24 59.8(2) . . . . ?
C21 C22 C23 Fe3 -60.5(2) . . . . ?
C26 Fe3 C23 C24 -163.2(3) . . . . ?
C30 Fe3 C23 C24 48.6(4) . . . . ?
C27 Fe3 C23 C24 165.05(17) . . . . ?
C29 Fe3 C23 C24 81.3(2) . . . . ?
C28 Fe3 C23 C24 123.66(18) . . . . ?
C22 Fe3 C23 C24 -118.4(2) . . . . ?
C25 Fe3 C23 C24 -38.40(16) . . . . ?
C21 Fe3 C23 C24 -81.96(17) . . . . ?
C24 Fe3 C23 C22 118.4(2) . . . . ?
C26 Fe3 C23 C22 -44.8(4) . . . . ?
C30 Fe3 C23 C22 167.0(3) . . . . ?
C27 Fe3 C23 C22 -76.6(2) . . . . ?
C29 Fe3 C23 C22 -160.32(17) . . . . ?
C28 Fe3 C23 C22 -117.94(18) . . . . ?
C25 Fe3 C23 C22 79.99(17) . . . . ?
C21 Fe3 C23 C22 36.44(16) . . . . ?
C22 C23 C24 C25 0.5(3) . . . . ?
Fe3 C23 C24 C25 60.58(19) . . . . ?
C22 C23 C24 Fe3 -60.0(2) . . . . ?
C26 Fe3 C24 C23 166.3(3) . . . . ?
C30 Fe3 C24 C23 -159.32(17) . . . . ?
C27 Fe3 C24 C23 -41.6(4) . . . . ?
C29 Fe3 C24 C23 -117.20(18) . . . . ?
C28 Fe3 C24 C23 -75.0(2) . . . . ?
C22 Fe3 C24 C23 38.44(16) . . . . ?
C25 Fe3 C24 C23 118.1(2) . . . . ?
C21 Fe3 C24 C23 81.78(17) . . . . ?
C23 Fe3 C24 C25 -118.1(2) . . . . ?
C26 Fe3 C24 C25 48.2(4) . . . . ?
C30 Fe3 C24 C25 82.6(2) . . . . ?
C27 Fe3 C24 C25 -159.7(4) . . . . ?
C29 Fe3 C24 C25 124.67(18) . . . . ?
C28 Fe3 C24 C25 166.83(18) . . . . ?
C22 Fe3 C24 C25 -79.69(17) . . . . ?
C21 Fe3 C24 C25 -36.34(16) . . . . ?
C23 C24 C25 C21 -0.2(3) . . . . ?
Fe3 C24 C25 C21 59.90(19) . . . . ?
C23 C24 C25 Fe3 -60.1(2) . . . . ?
C22 C21 C25 C24 -0.2(3) . . . . ?
B1 C21 C25 C24 173.9(2) . . . . ?
Fe3 C21 C25 C24 -58.09(19) . . . . ?
C22 C21 C25 Fe3 57.88(18) . . . . ?
B1 C21 C25 Fe3 -128.0(3) . . . . ?
C23 Fe3 C25 C24 38.29(17) . . . . ?
C26 Fe3 C25 C24 -159.88(19) . . . . ?
C30 Fe3 C25 C24 -116.61(19) . . . . ?
C27 Fe3 C25 C24 164.0(3) . . . . ?
C29 Fe3 C25 C24 -75.0(2) . . . . ?
C28 Fe3 C25 C24 -38.3(5) . . . . ?
C22 Fe3 C25 C24 82.87(19) . . . . ?
C21 Fe3 C25 C24 121.3(2) . . . . ?
C23 Fe3 C25 C21 -83.05(17) . . . . ?
C24 Fe3 C25 C21 -121.3(2) . . . . ?
C26 Fe3 C25 C21 78.8(2) . . . . ?
C30 Fe3 C25 C21 122.05(18) . . . . ?
C27 Fe3 C25 C21 42.7(4) . . . . ?
C29 Fe3 C25 C21 163.63(18) . . . . ?
C28 Fe3 C25 C21 -159.7(4) . . . . ?
C22 Fe3 C25 C21 -38.47(16) . . . . ?
C23 Fe3 C26 C27 -41.9(5) . . . . ?
C24 Fe3 C26 C27 166.7(3) . . . . ?
C30 Fe3 C26 C27 119.2(3) . . . . ?
C29 Fe3 C26 C27 81.8(2) . . . . ?
C28 Fe3 C26 C27 37.6(2) . . . . ?
C22 Fe3 C26 C27 -76.0(2) . . . . ?
C25 Fe3 C26 C27 -158.47(18) . . . . ?
C21 Fe3 C26 C27 -116.78(19) . . . . ?
C23 Fe3 C26 C30 -161.1(3) . . . . ?
C24 Fe3 C26 C30 47.4(4) . . . . ?
C27 Fe3 C26 C30 -119.2(3) . . . . ?
C29 Fe3 C26 C30 -37.41(19) . . . . ?
C28 Fe3 C26 C30 -81.6(2) . . . . ?
C22 Fe3 C26 C30 164.80(18) . . . . ?
C25 Fe3 C26 C30 82.3(2) . . . . ?
C21 Fe3 C26 C30 124.01(19) . . . . ?
C30 C26 C27 C28 0.0(4) . . . . ?
Fe3 C26 C27 C28 -59.3(2) . . . . ?
C30 C26 C27 Fe3 59.3(2) . . . . ?
C23 Fe3 C27 C26 164.88(18) . . . . ?
C24 Fe3 C27 C26 -163.6(3) . . . . ?
C30 Fe3 C27 C26 -37.9(2) . . . . ?
C29 Fe3 C27 C26 -81.3(2) . . . . ?
C28 Fe3 C27 C26 -119.5(3) . . . . ?
C22 Fe3 C27 C26 122.9(2) . . . . ?
C25 Fe3 C27 C26 50.3(4) . . . . ?
C21 Fe3 C27 C26 80.9(2) . . . . ?
C23 Fe3 C27 C28 -75.6(2) . . . . ?
C24 Fe3 C27 C28 -44.1(5) . . . . ?
C26 Fe3 C27 C28 119.5(3) . . . . ?
C30 Fe3 C27 C28 81.6(2) . . . . ?
C29 Fe3 C27 C28 38.2(2) . . . . ?
C22 Fe3 C27 C28 -117.6(2) . . . . ?
C25 Fe3 C27 C28 169.8(3) . . . . ?
C21 Fe3 C27 C28 -159.6(2) . . . . ?
C26 C27 C28 C29 -0.2(4) . . . . ?
Fe3 C27 C28 C29 -59.3(2) . . . . ?
C26 C27 C28 Fe3 59.1(2) . . . . ?
C23 Fe3 C28 C27 123.1(2) . . . . ?
C24 Fe3 C28 C27 164.2(2) . . . . ?
C26 Fe3 C28 C27 -37.5(2) . . . . ?
C30 Fe3 C28 C27 -81.6(2) . . . . ?
C29 Fe3 C28 C27 -118.7(3) . . . . ?
C22 Fe3 C28 C27 80.5(2) . . . . ?
C25 Fe3 C28 C27 -166.3(4) . . . . ?
C21 Fe3 C28 C27 46.5(4) . . . . ?
C23 Fe3 C28 C29 -118.3(2) . . . . ?
C24 Fe3 C28 C29 -77.1(3) . . . . ?
C26 Fe3 C28 C29 81.2(2) . . . . ?
C30 Fe3 C28 C29 37.1(2) . . . . ?
C27 Fe3 C28 C29 118.7(3) . . . . ?
C22 Fe3 C28 C29 -160.84(19) . . . . ?
C25 Fe3 C28 C29 -47.6(6) . . . . ?
C21 Fe3 C28 C29 165.2(3) . . . . ?
C27 C28 C29 C30 0.3(4) . . . . ?
Fe3 C28 C29 C30 -59.0(2) . . . . ?
C27 C28 C29 Fe3 59.3(2) . . . . ?
C23 Fe3 C29 C30 -160.38(19) . . . . ?
C24 Fe3 C29 C30 -117.8(2) . . . . ?
C26 Fe3 C29 C30 37.9(2) . . . . ?
C27 Fe3 C29 C30 81.8(2) . . . . ?
C28 Fe3 C29 C30 119.8(3) . . . . ?
C22 Fe3 C29 C30 165.5(3) . . . . ?
C25 Fe3 C29 C30 -76.2(2) . . . . ?
C21 Fe3 C29 C30 -40.3(5) . . . . ?
C23 Fe3 C29 C28 79.8(2) . . . . ?
C24 Fe3 C29 C28 122.4(2) . . . . ?
C26 Fe3 C29 C28 -81.9(2) . . . . ?
C30 Fe3 C29 C28 -119.8(3) . . . . ?
C27 Fe3 C29 C28 -38.0(2) . . . . ?
C22 Fe3 C29 C28 45.6(4) . . . . ?
C25 Fe3 C29 C28 164.0(2) . . . . ?
C21 Fe3 C29 C28 -160.1(3) . . . . ?
C28 C29 C30 C26 -0.3(4) . . . . ?
Fe3 C29 C30 C26 -59.3(2) . . . . ?
C28 C29 C30 Fe3 59.0(2) . . . . ?
C27 C26 C30 C29 0.1(4) . . . . ?
Fe3 C26 C30 C29 59.6(2) . . . . ?
C27 C26 C30 Fe3 -59.5(2) . . . . ?
C23 Fe3 C30 C29 45.7(4) . . . . ?
C24 Fe3 C30 C29 80.6(2) . . . . ?
C26 Fe3 C30 C29 -119.2(3) . . . . ?
C27 Fe3 C30 C29 -81.6(2) . . . . ?
C28 Fe3 C30 C29 -37.64(19) . . . . ?
C22 Fe3 C30 C29 -162.0(3) . . . . ?
C25 Fe3 C30 C29 123.79(19) . . . . ?
C21 Fe3 C30 C29 165.82(17) . . . . ?
C23 Fe3 C30 C26 164.9(3) . . . . ?
C24 Fe3 C30 C26 -160.17(19) . . . . ?
C27 Fe3 C30 C26 37.7(2) . . . . ?
C29 Fe3 C30 C26 119.2(3) . . . . ?
C28 Fe3 C30 C26 81.6(2) . . . . ?
C22 Fe3 C30 C26 -42.7(5) . . . . ?
C25 Fe3 C30 C26 -116.97(19) . . . . ?
C21 Fe3 C30 C26 -74.9(2) . . . . ?
C21 B1 C31 C32 -162.2(2) . . . . ?
C1 B1 C31 C32 -38.1(3) . . . . ?
C11 B1 C31 C32 79.7(3) . . . . ?
C21 B1 C31 C35 36.2(3) . . . . ?
C1 B1 C31 C35 160.4(2) . . . . ?
C11 B1 C31 C35 -81.9(3) . . . . ?
C21 B1 C31 Fe4 -62.5(3) . . . . ?
C1 B1 C31 Fe4 61.7(3) . . . . ?
C11 B1 C31 Fe4 179.4(2) . . . . ?
C34 Fe4 C31 C32 -80.66(17) . . . . ?
C38 Fe4 C31 C32 42.5(4) . . . . ?
C36 Fe4 C31 C32 122.15(18) . . . . ?
C33 Fe4 C31 C32 -36.59(16) . . . . ?
C39 Fe4 C31 C32 -158.1(3) . . . . ?
C35 Fe4 C31 C32 -117.5(2) . . . . ?
C37 Fe4 C31 C32 79.2(2) . . . . ?
C40 Fe4 C31 C32 164.98(18) . . . . ?
C34 Fe4 C31 C35 36.84(16) . . . . ?
C38 Fe4 C31 C35 160.0(3) . . . . ?
C36 Fe4 C31 C35 -120.34(18) . . . . ?
C33 Fe4 C31 C35 80.92(17) . . . . ?
C39 Fe4 C31 C35 -40.6(4) . . . . ?
C37 Fe4 C31 C35 -163.25(17) . . . . ?
C40 Fe4 C31 C35 -77.5(2) . . . . ?
C32 Fe4 C31 C35 117.5(2) . . . . ?
C34 Fe4 C31 B1 157.8(3) . . . . ?
C38 Fe4 C31 B1 -79.0(5) . . . . ?
C36 Fe4 C31 B1 0.6(3) . . . . ?
C33 Fe4 C31 B1 -158.1(3) . . . . ?
C39 Fe4 C31 B1 80.4(4) . . . . ?
C35 Fe4 C31 B1 120.9(3) . . . . ?
C37 Fe4 C31 B1 -42.3(3) . . . . ?
C40 Fe4 C31 B1 43.4(3) . . . . ?
C32 Fe4 C31 B1 -121.6(3) . . . . ?
C35 C31 C32 C33 1.5(3) . . . . ?
B1 C31 C32 C33 -163.4(2) . . . . ?
Fe4 C31 C32 C33 58.67(19) . . . . ?
C35 C31 C32 Fe4 -57.14(16) . . . . ?
B1 C31 C32 Fe4 138.0(2) . . . . ?
C34 Fe4 C32 C33 -38.41(17) . . . . ?
C38 Fe4 C32 C33 74.6(2) . . . . ?
C36 Fe4 C32 C33 160.78(18) . . . . ?
C39 Fe4 C32 C33 36.4(4) . . . . ?
C35 Fe4 C32 C33 -82.88(18) . . . . ?
C37 Fe4 C32 C33 117.59(19) . . . . ?
C40 Fe4 C32 C33 -161.8(3) . . . . ?
C31 Fe4 C32 C33 -121.5(2) . . . . ?
C34 Fe4 C32 C31 83.06(17) . . . . ?
C38 Fe4 C32 C31 -163.95(17) . . . . ?
C36 Fe4 C32 C31 -77.8(2) . . . . ?
C33 Fe4 C32 C31 121.5(2) . . . . ?
C39 Fe4 C32 C31 157.9(3) . . . . ?
C35 Fe4 C32 C31 38.59(15) . . . . ?
C37 Fe4 C32 C31 -120.94(18) . . . . ?
C40 Fe4 C32 C31 -40.4(4) . . . . ?
C31 C32 C33 C34 -1.2(3) . . . . ?
Fe4 C32 C33 C34 59.40(19) . . . . ?
C31 C32 C33 Fe4 -60.61(19) . . . . ?
C34 Fe4 C33 C32 118.4(2) . . . . ?
C38 Fe4 C33 C32 -123.54(18) . . . . ?
C36 Fe4 C33 C32 -51.8(4) . . . . ?
C39 Fe4 C33 C32 -165.33(17) . . . . ?
C35 Fe4 C33 C32 79.63(17) . . . . ?
C37 Fe4 C33 C32 -82.4(2) . . . . ?
C40 Fe4 C33 C32 164.6(3) . . . . ?
C31 Fe4 C33 C32 36.13(16) . . . . ?
C38 Fe4 C33 C34 118.06(19) . . . . ?
C36 Fe4 C33 C34 -170.2(3) . . . . ?
C39 Fe4 C33 C34 76.3(2) . . . . ?
C35 Fe4 C33 C34 -38.76(17) . . . . ?
C37 Fe4 C33 C34 159.23(19) . . . . ?
C40 Fe4 C33 C34 46.2(4) . . . . ?
C32 Fe4 C33 C34 -118.4(2) . . . . ?
C31 Fe4 C33 C34 -82.26(18) . . . . ?
C32 C33 C34 C35 0.4(3) . . . . ?
Fe4 C33 C34 C35 60.38(18) . . . . ?
C32 C33 C34 Fe4 -60.02(19) . . . . ?
C38 Fe4 C34 C35 162.98(16) . . . . ?
C36 Fe4 C34 C35 53.3(4) . . . . ?
C33 Fe4 C34 C35 -117.6(2) . . . . ?
C39 Fe4 C34 C35 121.92(17) . . . . ?
C37 Fe4 C34 C35 -168.8(3) . . . . ?
C40 Fe4 C34 C35 81.6(2) . . . . ?
C32 Fe4 C34 C35 -79.48(17) . . . . ?
C31 Fe4 C34 C35 -36.28(15) . . . . ?
C38 Fe4 C34 C33 -79.5(2) . . . . ?
C36 Fe4 C34 C33 170.9(3) . . . . ?
C39 Fe4 C34 C33 -120.51(18) . . . . ?
C35 Fe4 C34 C33 117.6(2) . . . . ?
C37 Fe4 C34 C33 -51.2(4) . . . . ?
C40 Fe4 C34 C33 -160.83(19) . . . . ?
C32 Fe4 C34 C33 38.09(17) . . . . ?
C31 Fe4 C34 C33 81.29(18) . . . . ?
C33 C34 C35 C31 0.6(3) . . . . ?
Fe4 C34 C35 C31 60.98(18) . . . . ?
C33 C34 C35 Fe4 -60.37(19) . . . . ?
C32 C31 C35 C34 -1.3(3) . . . . ?
B1 C31 C35 C34 163.6(2) . . . . ?
Fe4 C31 C35 C34 -58.79(19) . . . . ?
C32 C31 C35 Fe4 57.49(16) . . . . ?
B1 C31 C35 Fe4 -137.6(2) . . . . ?
C38 Fe4 C35 C34 -41.1(4) . . . . ?
C36 Fe4 C35 C34 -159.26(18) . . . . ?
C33 Fe4 C35 C34 38.78(16) . . . . ?
C39 Fe4 C35 C34 -75.1(2) . . . . ?
C37 Fe4 C35 C34 167.0(3) . . . . ?
C40 Fe4 C35 C34 -117.14(18) . . . . ?
C32 Fe4 C35 C34 82.90(17) . . . . ?
C31 Fe4 C35 C34 121.3(2) . . . . ?
C34 Fe4 C35 C31 -121.3(2) . . . . ?
C38 Fe4 C35 C31 -162.4(3) . . . . ?
C36 Fe4 C35 C31 79.44(19) . . . . ?
C33 Fe4 C35 C31 -82.52(16) . . . . ?
C39 Fe4 C35 C31 163.64(16) . . . . ?
C37 Fe4 C35 C31 45.7(4) . . . . ?
C40 Fe4 C35 C31 121.56(17) . . . . ?
C32 Fe4 C35 C31 -38.39(15) . . . . ?
C34 Fe4 C36 C40 38.4(4) . . . . ?
C38 Fe4 C36 C40 -80.9(2) . . . . ?
C33 Fe4 C36 C40 -159.3(3) . . . . ?
C39 Fe4 C36 C40 -36.94(19) . . . . ?
C35 Fe4 C36 C40 77.8(2) . . . . ?
C37 Fe4 C36 C40 -118.5(3) . . . . ?
C32 Fe4 C36 C40 161.99(18) . . . . ?
C31 Fe4 C36 C40 120.16(19) . . . . ?
C34 Fe4 C36 C37 156.9(3) . . . . ?
C38 Fe4 C36 C37 37.62(19) . . . . ?
C33 Fe4 C36 C37 -40.8(5) . . . . ?
C39 Fe4 C36 C37 81.6(2) . . . . ?
C35 Fe4 C36 C37 -163.70(18) . . . . ?
C40 Fe4 C36 C37 118.5(3) . . . . ?
C32 Fe4 C36 C37 -79.5(2) . . . . ?
C31 Fe4 C36 C37 -121.35(19) . . . . ?
C40 C36 C37 C38 0.8(3) . . . . ?
Fe4 C36 C37 C38 -59.0(2) . . . . ?
C40 C36 C37 Fe4 59.8(2) . . . . ?
C34 Fe4 C37 C38 -38.8(4) . . . . ?
C36 Fe4 C37 C38 119.2(3) . . . . ?
C33 Fe4 C37 C38 -76.2(2) . . . . ?
C39 Fe4 C37 C38 37.6(2) . . . . ?
C35 Fe4 C37 C38 163.9(3) . . . . ?
C40 Fe4 C37 C38 81.1(2) . . . . ?
C32 Fe4 C37 C38 -119.54(19) . . . . ?
C31 Fe4 C37 C38 -161.82(17) . . . . ?
C34 Fe4 C37 C36 -158.0(3) . . . . ?
C38 Fe4 C37 C36 -119.2(3) . . . . ?
C33 Fe4 C37 C36 164.58(19) . . . . ?
C39 Fe4 C37 C36 -81.6(2) . . . . ?
C35 Fe4 C37 C36 44.7(4) . . . . ?
C40 Fe4 C37 C36 -38.1(2) . . . . ?
C32 Fe4 C37 C36 121.27(19) . . . . ?
C31 Fe4 C37 C36 79.0(2) . . . . ?
C36 C37 C38 C39 -0.5(3) . . . . ?
Fe4 C37 C38 C39 -59.5(2) . . . . ?
C36 C37 C38 Fe4 59.0(2) . . . . ?
C34 Fe4 C38 C37 163.83(18) . . . . ?
C36 Fe4 C38 C37 -37.9(2) . . . . ?
C33 Fe4 C38 C37 121.6(2) . . . . ?
C39 Fe4 C38 C37 -119.5(3) . . . . ?
C35 Fe4 C38 C37 -166.1(3) . . . . ?
C40 Fe4 C38 C37 -81.9(2) . . . . ?
C32 Fe4 C38 C37 80.7(2) . . . . ?
C31 Fe4 C38 C37 49.1(4) . . . . ?
C34 Fe4 C38 C39 -76.7(2) . . . . ?
C36 Fe4 C38 C39 81.6(2) . . . . ?
C33 Fe4 C38 C39 -118.9(2) . . . . ?
C35 Fe4 C38 C39 -46.6(4) . . . . ?
C37 Fe4 C38 C39 119.5(3) . . . . ?
C40 Fe4 C38 C39 37.6(2) . . . . ?
C32 Fe4 C38 C39 -159.76(19) . . . . ?
C31 Fe4 C38 C39 168.6(3) . . . . ?
C37 C38 C39 C40 -0.1(3) . . . . ?
Fe4 C38 C39 C40 -59.6(2) . . . . ?
C37 C38 C39 Fe4 59.6(2) . . . . ?
C34 Fe4 C39 C40 -121.2(2) . . . . ?
C38 Fe4 C39 C40 119.0(3) . . . . ?
C36 Fe4 C39 C40 37.3(2) . . . . ?
C33 Fe4 C39 C40 -162.42(19) . . . . ?
C35 Fe4 C39 C40 -80.2(2) . . . . ?
C37 Fe4 C39 C40 81.5(2) . . . . ?
C32 Fe4 C39 C40 170.7(3) . . . . ?
C31 Fe4 C39 C40 -50.5(4) . . . . ?
C34 Fe4 C39 C38 119.9(2) . . . . ?
C36 Fe4 C39 C38 -81.6(2) . . . . ?
C33 Fe4 C39 C38 78.6(2) . . . . ?
C35 Fe4 C39 C38 160.8(2) . . . . ?
C37 Fe4 C39 C38 -37.5(2) . . . . ?
C40 Fe4 C39 C38 -119.0(3) . . . . ?
C32 Fe4 C39 C38 51.8(4) . . . . ?
C31 Fe4 C39 C38 -169.5(3) . . . . ?
C38 C39 C40 C36 0.6(3) . . . . ?
Fe4 C39 C40 C36 -58.7(2) . . . . ?
C38 C39 C40 Fe4 59.3(2) . . . . ?
C37 C36 C40 C39 -0.9(3) . . . . ?
Fe4 C36 C40 C39 58.9(2) . . . . ?
C37 C36 C40 Fe4 -59.8(2) . . . . ?
C34 Fe4 C40 C39 75.3(2) . . . . ?
C38 Fe4 C40 C39 -38.0(2) . . . . ?
C36 Fe4 C40 C39 -120.2(3) . . . . ?
C33 Fe4 C40 C39 41.7(4) . . . . ?
C35 Fe4 C40 C39 118.33(19) . . . . ?
C37 Fe4 C40 C39 -81.9(2) . . . . ?
C32 Fe4 C40 C39 -169.8(3) . . . . ?
C31 Fe4 C40 C39 160.00(18) . . . . ?
C34 Fe4 C40 C36 -164.56(19) . . . . ?
C38 Fe4 C40 C36 82.2(2) . . . . ?
C33 Fe4 C40 C36 161.8(3) . . . . ?
C39 Fe4 C40 C36 120.2(3) . . . . ?
C35 Fe4 C40 C36 -121.51(19) . . . . ?
C37 Fe4 C40 C36 38.3(2) . . . . ?
C32 Fe4 C40 C36 -49.6(4) . . . . ?
C31 Fe4 C40 C36 -79.8(2) . . . . ?
O61 Li1 O41 C42 140.7(3) . . . . ?
O51 Li1 O41 C42 -101.7(4) . . . . ?
O71 Li1 O41 C42 15.9(5) . . . . ?
O61 Li1 O41 C45 -34.1(5) . . . . ?
O51 Li1 O41 C45 83.5(5) . . . . ?
O71 Li1 O41 C45 -158.9(3) . . . . ?
C45 O41 C42 C43 23.8(4) . . . . ?
Li1 O41 C42 C43 -152.0(3) . . . . ?
O41 C42 C43 C44 -33.7(4) . . . . ?
C42 C43 C44 C45 30.6(4) . . . . ?
C42 O41 C45 C44 -3.8(4) . . . . ?
Li1 O41 C45 C44 171.6(4) . . . . ?
C43 C44 C45 O41 -17.3(4) . . . . ?
O61 Li1 O51 C52 -43.8(4) . . . . ?
O41 Li1 O51 C52 -165.2(3) . . . . ?
O71 Li1 O51 C52 76.5(4) . . . . ?
O61 Li1 O51 C55 158.2(3) . . . . ?
O41 Li1 O51 C55 36.8(5) . . . . ?
O71 Li1 O51 C55 -81.6(4) . . . . ?
C55 O51 C52 C53 4.5(5) . . . . ?
Li1 O51 C52 C53 -157.7(4) . . . . ?
O51 C52 C53 C54 -26.5(5) . . . . ?
C52 C53 C54 C55 36.9(5) . . . . ?
C52 O51 C55 C54 19.5(4) . . . . ?
Li1 O51 C55 C54 178.9(3) . . . . ?
C53 C54 C55 O51 -35.0(4) . . . . ?
O41 Li1 O61 C65 -134.4(3) . . . . ?
O51 Li1 O61 C65 108.4(4) . . . . ?
O71 Li1 O61 C65 -10.3(5) . . . . ?
O41 Li1 O61 C62 50.6(5) . . . . ?
O51 Li1 O61 C62 -66.7(4) . . . . ?
O71 Li1 O61 C62 174.7(3) . . . . ?
C65 O61 C62 C63 -2.5(4) . . . . ?
Li1 O61 C62 C63 173.1(3) . . . . ?
O61 C62 C63 C64 -21.7(4) . . . . ?
C62 C63 C64 C65 35.7(4) . . . . ?
C62 O61 C65 C64 25.3(4) . . . . ?
Li1 O61 C65 C64 -150.6(3) . . . . ?
C63 C64 C65 O61 -37.9(4) . . . . ?
O61 Li1 O71 C72 142.3(3) . . . . ?
O41 Li1 O71 C72 -91.8(4) . . . . ?
O51 Li1 O71 C72 24.5(5) . . . . ?
O61 Li1 O71 C75 -43.6(4) . . . . ?
O41 Li1 O71 C75 82.3(4) . . . . ?
O51 Li1 O71 C75 -161.4(3) . . . . ?
C75 O71 C72 C73 -1.7(4) . . . . ?
Li1 O71 C72 C73 173.3(3) . . . . ?
O71 C72 C73 C74 -19.0(5) . . . . ?
C72 C73 C74 C75 31.3(5) . . . . ?
C72 O71 C75 C74 21.3(4) . . . . ?
Li1 O71 C75 C74 -153.6(3) . . . . ?
C73 C74 C75 O71 -32.7(4) . . . . ?
