#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/81/7108178.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_7108178
loop_
_publ_author_name
'Takahiro Sasamori'
'Michiyasu Sakagami'
'Masatoshi Niwa'
'Heisuke Sakai'
'Yukio Furukawa'
'Norihiro Tokitoh'
_publ_section_title
;
 Synthesis of a stable 1,2-bis(ferrocenyl)diphosphene
;
_journal_name_full               Chem.Commun.
_journal_page_first              8562
_journal_paper_doi               10.1039/c2cc33277a
_journal_volume                  48
_journal_year                    2012
_chemical_formula_moiety         'C52 H50 Fe2 P2, 0.25(C6 H14)'
_chemical_formula_sum            'C53.5 H53.5 Fe2 P2'
_chemical_formula_weight         870.10
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.8602(6)
_cell_angle_beta                 90.2326(5)
_cell_angle_gamma                103.7802(6)
_cell_formula_units_Z            4
_cell_length_a                   14.09510(10)
_cell_length_b                   17.4920(2)
_cell_length_c                   19.8743(2)
_cell_measurement_temperature    103(2)
_cell_measurement_theta_max      25.5
_cell_measurement_theta_min      1.70
_cell_volume                     4513.86(8)
_computing_cell_refinement       HKL2000
_computing_data_collection       CrystalClear
_computing_data_reduction        HKL2000
_computing_molecular_graphics
'Yadokari-XG 2009 (Wakita Nemoto et al., 2009)'
_computing_publication_material
;
Yadokari-XG 2009 (Wakita,Nemoto et al., 2009)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      103(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Rigaku VariMax Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            38846
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.749
_exptl_absorpt_correction_T_max  0.9289
_exptl_absorpt_correction_T_min  0.8647
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Jacobson, R. (1998) Private communication
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1826
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.653
_refine_diff_density_min         -0.425
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1053
_refine_ls_number_reflns         16401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0425
_refine_ls_R_factor_gt           0.0386
_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)+(0.0541P)²+3.3754P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1054
_reflns_number_gt                14882
_reflns_number_total             16401
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc33277a.txt
_cod_data_source_block           compound1
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C53.50 H53.50 Fe2 P2'
_cod_database_code               7108178
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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
P1 P 0.00656(4) 0.73529(3) 0.75226(3) 0.02898(12) Uani 1 1 d .
P2 P -0.01521(4) 0.85106(3) 0.79032(3) 0.02625(12) Uani 1 1 d .
C1 C 0.13646(15) 0.75801(12) 0.78056(10) 0.0260(4) Uani 1 1 d .
C2 C 0.22207(15) 0.81946(13) 0.77359(10) 0.0261(4) Uani 1 1 d .
C3 C 0.30614(15) 0.80069(13) 0.79904(11) 0.0279(4) Uani 1 1 d .
H1 H 0.3722 0.8309 0.8007 0.033 Uiso 1 1 calc R
C4 C 0.27478(15) 0.72970(13) 0.82138(10) 0.0279(4) Uani 1 1 d .
H2 H 0.3162 0.7045 0.8404 0.033 Uiso 1 1 calc R
C5 C 0.17018(15) 0.70256(13) 0.81044(10) 0.0268(4) Uani 1 1 d .
Fe1 Fe 0.23001(2) 0.700976(18) 0.716555(15) 0.02822(8) Uani 1 1 d .
C6 C 0.2483(2) 0.69607(16) 0.61297(12) 0.0446(6) Uani 1 1 d .
H3 H 0.2557 0.7411 0.5945 0.054 Uiso 1 1 calc R
C7 C 0.3251(2) 0.67247(17) 0.64074(13) 0.0449(6) Uani 1 1 d .
H4 H 0.3930 0.6989 0.6444 0.054 Uiso 1 1 calc R
C8 C 0.2831(2) 0.60237(16) 0.66216(12) 0.0463(6) Uani 1 1 d .
H5 H 0.3178 0.5733 0.6825 0.056 Uiso 1 1 calc R
C9 C 0.1795(2) 0.58325(15) 0.64780(13) 0.0456(6) Uani 1 1 d .
H6 H 0.1329 0.5394 0.6571 0.055 Uiso 1 1 calc R
C10 C 0.1584(2) 0.64107(16) 0.61733(12) 0.0447(6) Uani 1 1 d .
H7 H 0.0950 0.6428 0.6024 0.054 Uiso 1 1 calc R
C11 C 0.22737(15) 0.89576(13) 0.75410(11) 0.0262(4) Uani 1 1 d .
C12 C 0.27233(15) 0.97159(13) 0.80440(11) 0.0277(4) Uani 1 1 d .
H8 H 0.2994 0.9722 0.8485 0.033 Uiso 1 1 calc R
C13 C 0.27850(15) 1.04660(13) 0.79164(11) 0.0296(4) Uani 1 1 d .
C14 C 0.24171(16) 1.04451(14) 0.72589(12) 0.0315(5) Uani 1 1 d .
H9 H 0.2470 1.0951 0.7160 0.038 Uiso 1 1 calc R
C15 C 0.19695(16) 0.96925(14) 0.67396(11) 0.0313(5) Uani 1 1 d .
C16 C 0.18890(15) 0.89533(13) 0.68878(11) 0.0289(4) Uani 1 1 d .
H10 H 0.1570 0.8441 0.6543 0.035 Uiso 1 1 calc R
C17 C 0.32524(17) 1.12785(14) 0.84847(13) 0.0369(5) Uani 1 1 d .
H11 H 0.2877 1.1332 0.8903 0.055 Uiso 1 1 calc R
H12 H 0.3255 1.1741 0.8304 0.055 Uiso 1 1 calc R
H13 H 0.3928 1.1288 0.8615 0.055 Uiso 1 1 calc R
C18 C 0.15962(19) 0.96899(16) 0.60226(12) 0.0398(5) Uani 1 1 d .
H14 H 0.1300 0.9118 0.5726 0.060 Uiso 1 1 calc R
H15 H 0.2144 0.9938 0.5791 0.060 Uiso 1 1 calc R
H16 H 0.1104 1.0013 0.6087 0.060 Uiso 1 1 calc R
C19 C 0.10747(16) 0.63766(13) 0.83612(11) 0.0300(4) Uani 1 1 d .
C20 C 0.04003(15) 0.65954(14) 0.88487(11) 0.0313(5) Uani 1 1 d .
H17 H 0.0291 0.7134 0.8962 0.038 Uiso 1 1 calc R
C21 C -0.01177(16) 0.60387(16) 0.91731(13) 0.0376(5) Uani 1 1 d .
C22 C 0.00353(17) 0.52507(16) 0.89921(15) 0.0441(6) Uani 1 1 d .
H18 H -0.0304 0.4872 0.9218 0.053 Uiso 1 1 calc R
C23 C 0.06748(18) 0.50005(15) 0.84876(15) 0.0446(6) Uani 1 1 d .
C24 C 0.11977(17) 0.55713(14) 0.81800(13) 0.0375(5) Uani 1 1 d .
H19 H 0.1645 0.5410 0.7841 0.045 Uiso 1 1 calc R
C25 C -0.07897(19) 0.63099(19) 0.97359(15) 0.0496(6) Uani 1 1 d .
H20 H -0.0401 0.6724 1.0157 0.074 Uiso 1 1 calc R
H21 H -0.1154 0.5829 0.9863 0.074 Uiso 1 1 calc R
H22 H -0.1252 0.6553 0.9554 0.074 Uiso 1 1 calc R
C26 C 0.0821(2) 0.41317(18) 0.8288(2) 0.0668(9) Uani 1 1 d .
H23 H 0.0901 0.3934 0.7779 0.100 Uiso 1 1 calc R
H24 H 0.0249 0.3761 0.8399 0.100 Uiso 1 1 calc R
H25 H 0.1409 0.4137 0.8556 0.100 Uiso 1 1 calc R
C27 C -0.14438(14) 0.83193(12) 0.76414(10) 0.0234(4) Uani 1 1 d .
C28 C -0.20332(15) 0.78557(12) 0.69739(10) 0.0250(4) Uani 1 1 d .
C29 C -0.29726(15) 0.80326(13) 0.70470(11) 0.0287(4) Uani 1 1 d .
H26 H -0.3505 0.7810 0.6691 0.034 Uiso 1 1 calc R
C30 C -0.29854(15) 0.85945(13) 0.77358(10) 0.0271(4) Uani 1 1 d .
H27 H -0.3521 0.8816 0.7915 0.032 Uiso 1 1 calc R
C31 C -0.20525(14) 0.87679(12) 0.81105(10) 0.0230(4) Uani 1 1 d .
Fe2 Fe -0.18923(2) 0.910825(18) 0.721056(14) 0.02477(8) Uani 1 1 d .
C32 C -0.06555(18) 0.98515(15) 0.69991(13) 0.0386(5) Uani 1 1 d .
H28 H -0.0005 0.9801 0.7052 0.046 Uiso 1 1 calc R
C33 C -0.1312(2) 0.94674(16) 0.63783(12) 0.0417(6) Uani 1 1 d .
H29 H -0.1175 0.9113 0.5942 0.050 Uiso 1 1 calc R
C34 C -0.2200(2) 0.97001(16) 0.65189(13) 0.0439(6) Uani 1 1 d .
H30 H -0.2766 0.9529 0.6196 0.053 Uiso 1 1 calc R
C35 C -0.20983(19) 1.02372(15) 0.72303(13) 0.0400(6) Uani 1 1 d .
H31 H -0.2583 1.0492 0.7465 0.048 Uiso 1 1 calc R
C36 C -0.11499(18) 1.03264(14) 0.75282(13) 0.0374(5) Uani 1 1 d .
H32 H -0.0888 1.0647 0.7999 0.045 Uiso 1 1 calc R
C37 C -0.18017(15) 0.72331(13) 0.63419(10) 0.0264(4) Uani 1 1 d .
C38 C -0.09812(16) 0.73912(14) 0.59656(11) 0.0291(4) Uani 1 1 d .
H33 H -0.0537 0.7925 0.6112 0.035 Uiso 1 1 calc R
C39 C -0.08075(17) 0.67708(14) 0.53745(11) 0.0332(5) Uani 1 1 d .
C40 C -0.14671(19) 0.59921(14) 0.51729(11) 0.0377(5) Uani 1 1 d .
H34 H -0.1349 0.5567 0.4777 0.045 Uiso 1 1 calc R
C41 C -0.2293(2) 0.58180(14) 0.55337(11) 0.0380(5) Uani 1 1 d .
C42 C -0.24457(17) 0.64468(13) 0.61218(11) 0.0310(5) Uani 1 1 d .
H35 H -0.3002 0.6336 0.6378 0.037 Uiso 1 1 calc R
C43 C 0.00688(19) 0.69352(17) 0.49564(12) 0.0419(6) Uani 1 1 d .
H36 H 0.0388 0.6477 0.4866 0.063 Uiso 1 1 calc R
H37 H 0.0534 0.7455 0.5228 0.063 Uiso 1 1 calc R
H38 H -0.0148 0.6980 0.4504 0.063 Uiso 1 1 calc R
C44 C -0.3016(3) 0.49772(16) 0.53054(14) 0.0565(8) Uani 1 1 d .
H39 H -0.3606 0.5009 0.5063 0.085 Uiso 1 1 calc R
H40 H -0.3194 0.4807 0.5724 0.085 Uiso 1 1 calc R
H41 H -0.2718 0.4570 0.4982 0.085 Uiso 1 1 calc R
C45 C -0.17992(14) 0.92626(12) 0.88697(10) 0.0235(4) Uani 1 1 d .
C46 C -0.13721(14) 0.89409(13) 0.93206(10) 0.0258(4) Uani 1 1 d .
H42 H -0.1205 0.8426 0.9130 0.031 Uiso 1 1 calc R
C47 C -0.11859(14) 0.93654(13) 1.00489(11) 0.0275(4) Uani 1 1 d .
C48 C -0.14359(15) 1.01154(13) 1.03168(10) 0.0285(4) Uani 1 1 d .
H43 H -0.1310 1.0408 1.0810 0.034 Uiso 1 1 calc R
C49 C -0.18676(15) 1.04530(13) 0.98808(11) 0.0273(4) Uani 1 1 d .
C50 C -0.20488(14) 1.00191(12) 0.91571(10) 0.0248(4) Uani 1 1 d .
H44 H -0.2346 1.0240 0.8855 0.030 Uiso 1 1 calc R
C51 C -0.07232(17) 0.90153(16) 1.05325(12) 0.0361(5) Uani 1 1 d .
H45 H -0.0021 0.9095 1.0469 0.054 Uiso 1 1 calc R
H46 H -0.1034 0.8421 1.0417 0.054 Uiso 1 1 calc R
H47 H -0.0813 0.9302 1.1026 0.054 Uiso 1 1 calc R
C52 C -0.21147(18) 1.12745(14) 1.01892(12) 0.0369(5) Uani 1 1 d .
H48 H -0.1509 1.1719 1.0323 0.055 Uiso 1 1 calc R
H49 H -0.2475 1.1272 1.0610 0.055 Uiso 1 1 calc R
H50 H -0.2521 1.1367 0.9835 0.055 Uiso 1 1 calc R
P3 P 0.45423(4) 0.66849(3) 0.18822(3) 0.02733(12) Uani 1 1 d .
P4 P 0.55236(4) 0.73901(3) 0.27273(3) 0.02717(12) Uani 1 1 d .
C53 C 0.43384(14) 0.74771(12) 0.15253(10) 0.0245(4) Uani 1 1 d .
C54 C 0.42602(14) 0.73358(12) 0.07650(10) 0.0242(4) Uani 1 1 d .
C55 C 0.39791(14) 0.80156(13) 0.06468(11) 0.0263(4) Uani 1 1 d .
H51 H 0.3865 0.8078 0.0197 0.032 Uiso 1 1 calc R
C56 C 0.38979(15) 0.85865(13) 0.13159(11) 0.0275(4) Uani 1 1 d .
H52 H 0.3728 0.9098 0.1387 0.033 Uiso 1 1 calc R
C57 C 0.41113(15) 0.82687(13) 0.18621(11) 0.0269(4) Uani 1 1 d .
Fe3 Fe 0.29545(2) 0.744651(18) 0.118231(14) 0.02436(8) Uani 1 1 d .
C58 C 0.19978(16) 0.65819(15) 0.15133(13) 0.0379(5) Uani 1 1 d .
H53 H 0.2159 0.6304 0.1823 0.046 Uiso 1 1 calc R
C59 C 0.19978(16) 0.63094(14) 0.07602(13) 0.0362(5) Uani 1 1 d .
H54 H 0.2159 0.5817 0.0480 0.043 Uiso 1 1 calc R
C60 C 0.17150(16) 0.69021(15) 0.05021(12) 0.0364(5) Uani 1 1 d .
H55 H 0.1655 0.6876 0.0019 0.044 Uiso 1 1 calc R
C61 C 0.15378(16) 0.75427(15) 0.10953(13) 0.0362(5) Uani 1 1 d .
H56 H 0.1338 0.8018 0.1077 0.043 Uiso 1 1 calc R
C62 C 0.17125(16) 0.73450(16) 0.17202(13) 0.0374(5) Uani 1 1 d .
H57 H 0.1650 0.7665 0.2192 0.045 Uiso 1 1 calc R
C63 C 0.45266(15) 0.66608(12) 0.01992(10) 0.0255(4) Uani 1 1 d .
C64 C 0.53954(15) 0.64426(13) 0.02936(11) 0.0278(4) Uani 1 1 d .
H58 H 0.5783 0.6700 0.0733 0.033 Uiso 1 1 calc R
C65 C 0.57064(16) 0.58523(13) -0.02462(12) 0.0305(5) Uani 1 1 d .
C66 C 0.51358(17) 0.54918(13) -0.08879(11) 0.0314(5) Uani 1 1 d .
H59 H 0.5345 0.5094 -0.1260 0.038 Uiso 1 1 calc R
C67 C 0.42701(17) 0.56954(13) -0.10020(11) 0.0317(5) Uani 1 1 d .
C68 C 0.39674(16) 0.62821(13) -0.04538(11) 0.0280(4) Uani 1 1 d .
H60 H 0.3375 0.6426 -0.0525 0.034 Uiso 1 1 calc R
C69 C 0.66329(18) 0.56084(16) -0.01374(13) 0.0395(5) Uani 1 1 d .
H61 H 0.6482 0.5132 0.0040 0.059 Uiso 1 1 calc R
H62 H 0.7094 0.6076 0.0208 0.059 Uiso 1 1 calc R
H63 H 0.6928 0.5458 -0.0590 0.059 Uiso 1 1 calc R
C70 C 0.3657(2) 0.52707(16) -0.17010(13) 0.0443(6) Uani 1 1 d .
H64 H 0.3657 0.5676 -0.1949 0.066 Uiso 1 1 calc R
H65 H 0.2984 0.5033 -0.1614 0.066 Uiso 1 1 calc R
H66 H 0.3934 0.4827 -0.1993 0.066 Uiso 1 1 calc R
C71 C 0.41660(16) 0.87471(14) 0.26280(11) 0.0322(5) Uani 1 1 d .
C72 C 0.36209(18) 0.84448(17) 0.31161(12) 0.0390(5) Uani 1 1 d .
H67 H 0.3213 0.7895 0.2970 0.047 Uiso 1 1 calc R
C73 C 0.3673(2) 0.8953(2) 0.38263(13) 0.0527(8) Uani 1 1 d .
C74 C 0.4305(2) 0.9752(2) 0.40237(14) 0.0591(9) Uani 1 1 d .
H68 H 0.4355 1.0093 0.4504 0.071 Uiso 1 1 calc R
C75 C 0.4856(2) 1.00644(19) 0.35498(15) 0.0546(8) Uani 1 1 d .
C76 C 0.47750(18) 0.95504(16) 0.28472(13) 0.0422(6) Uani 1 1 d .
H69 H 0.5143 0.9752 0.2511 0.051 Uiso 1 1 calc R
C77 C 0.3024(3) 0.8646(3) 0.43383(15) 0.0743(11) Uani 1 1 d .
H70 H 0.3352 0.8894 0.4819 0.111 Uiso 1 1 calc R
H71 H 0.2893 0.8041 0.4202 0.111 Uiso 1 1 calc R
H72 H 0.2403 0.8805 0.4327 0.111 Uiso 1 1 calc R
C78 C 0.5506(3) 1.0931(2) 0.3765(2) 0.0834(13) Uani 1 1 d .
H73 H 0.6136 1.0923 0.3560 0.125 Uiso 1 1 calc R
H74 H 0.5615 1.1151 0.4283 0.125 Uiso 1 1 calc R
H75 H 0.5191 1.1285 0.3591 0.125 Uiso 1 1 calc R
C79 C 0.57238(14) 0.65992(13) 0.30939(10) 0.0246(4) Uani 1 1 d .
C80 C 0.50457(15) 0.59228(13) 0.32558(10) 0.0262(4) Uani 1 1 d .
C81 C 0.56025(15) 0.55851(13) 0.36408(10) 0.0268(4) Uani 1 1 d .
H76 H 0.5346 0.5131 0.3810 0.032 Uiso 1 1 calc R
C82 C 0.66030(15) 0.60373(12) 0.37297(10) 0.0264(4) Uani 1 1 d .
H77 H 0.7123 0.5940 0.3971 0.032 Uiso 1 1 calc R
C83 C 0.66925(15) 0.66620(12) 0.33936(10) 0.0242(4) Uani 1 1 d .
Fe4 Fe 0.57404(2) 0.682150(18) 0.416911(14) 0.02365(8) Uani 1 1 d .
C84 C 0.47050(17) 0.71525(14) 0.48482(11) 0.0345(5) Uani 1 1 d .
H78 H 0.4026 0.6883 0.4791 0.041 Uiso 1 1 calc R
C85 C 0.54524(18) 0.69656(15) 0.52065(11) 0.0357(5) Uani 1 1 d .
H79 H 0.5360 0.6548 0.5430 0.043 Uiso 1 1 calc R
C86 C 0.63639(17) 0.75149(14) 0.51714(11) 0.0347(5) Uani 1 1 d .
H80 H 0.6986 0.7529 0.5368 0.042 Uiso 1 1 calc R
C87 C 0.61777(17) 0.80334(14) 0.47922(11) 0.0338(5) Uani 1 1 d .
H81 H 0.6655 0.8457 0.4688 0.041 Uiso 1 1 calc R
C88 C 0.51547(17) 0.78148(14) 0.45913(11) 0.0341(5) Uani 1 1 d .
H82 H 0.4830 0.8067 0.4332 0.041 Uiso 1 1 calc R
C89 C 0.39887(15) 0.55540(14) 0.30092(10) 0.0291(4) Uani 1 1 d .
C90 C 0.37206(16) 0.47327(14) 0.25648(11) 0.0317(5) Uani 1 1 d .
H83 H 0.4208 0.4431 0.2445 0.038 Uiso 1 1 calc R
C91 C 0.27464(17) 0.43434(15) 0.22913(12) 0.0371(5) Uani 1 1 d .
C92 C 0.20447(17) 0.47850(17) 0.24914(13) 0.0421(6) Uani 1 1 d .
H84 H 0.1381 0.4525 0.2314 0.051 Uiso 1 1 calc R
C93 C 0.22826(17) 0.56001(17) 0.29454(13) 0.0403(6) Uani 1 1 d .
C94 C 0.32664(16) 0.59869(15) 0.31943(11) 0.0341(5) Uani 1 1 d .
H85 H 0.3442 0.6549 0.3491 0.041 Uiso 1 1 calc R
C95 C 0.2491(2) 0.34594(16) 0.17917(14) 0.0486(6) Uani 1 1 d .
H86 H 0.1790 0.3287 0.1637 0.073 Uiso 1 1 calc R
H87 H 0.2645 0.3091 0.2038 0.073 Uiso 1 1 calc R
H88 H 0.2872 0.3428 0.1377 0.073 Uiso 1 1 calc R
C96 C 0.14922(19) 0.6058(2) 0.31783(16) 0.0550(7) Uani 1 1 d .
H89 H 0.0966 0.5869 0.2796 0.083 Uiso 1 1 calc R
H90 H 0.1774 0.6656 0.3287 0.083 Uiso 1 1 calc R
H91 H 0.1225 0.5945 0.3602 0.083 Uiso 1 1 calc R
C97 C 0.76188(15) 0.72251(13) 0.33130(11) 0.0263(4) Uani 1 1 d .
C98 C 0.78257(15) 0.72851(13) 0.26396(11) 0.0277(4) Uani 1 1 d .
H92 H 0.7354 0.6984 0.2248 0.033 Uiso 1 1 calc R
C99 C 0.87074(16) 0.77757(14) 0.25313(12) 0.0310(5) Uani 1 1 d .
C100 C 0.93882(16) 0.82163(14) 0.31120(13) 0.0338(5) Uani 1 1 d .
H93 H 0.9997 0.8548 0.3044 0.041 Uiso 1 1 calc R
C101 C 0.91969(16) 0.81818(14) 0.37908(12) 0.0335(5) Uani 1 1 d .
C102 C 0.83168(15) 0.76797(13) 0.38855(11) 0.0302(4) Uani 1 1 d .
H94 H 0.8187 0.7644 0.4345 0.036 Uiso 1 1 calc R
C103 C 0.89153(18) 0.78462(16) 0.18042(13) 0.0397(5) Uani 1 1 d .
H95 H 0.8391 0.7456 0.1454 0.060 Uiso 1 1 calc R
H96 H 0.9543 0.7716 0.1679 0.060 Uiso 1 1 calc R
H97 H 0.8946 0.8413 0.1808 0.060 Uiso 1 1 calc R
C104 C 0.99320(19) 0.87116(17) 0.44149(14) 0.0478(6) Uani 1 1 d .
H98 H 0.9942 0.9297 0.4508 0.072 Uiso 1 1 calc R
H99 H 1.0585 0.8631 0.4305 0.072 Uiso 1 1 calc R
H100 H 0.9744 0.8549 0.4835 0.072 Uiso 1 1 calc R
C105 C 0.53173(19) 0.97116(18) 0.00252(14) 0.0466(6) Uani 1 1 d .
H101 H 0.6011 1.0034 0.0125 0.056 Uiso 1 1 calc R
H102 H 0.5134 0.9507 0.0431 0.056 Uiso 1 1 calc R
C106 C 0.5231(2) 0.89718(19) -0.06366(14) 0.0509(7) Uani 1 1 d .
H103 H 0.5434 0.9177 -0.1039 0.061 Uiso 1 1 calc R
H104 H 0.4534 0.8659 -0.0745 0.061 Uiso 1 1 calc R
C107 C 0.5840(2) 0.8383(2) -0.05784(18) 0.0618(8) Uani 1 1 d .
H105 H 0.6535 0.8680 -0.0488 0.093 Uiso 1 1 calc R
H106 H 0.5742 0.7921 -0.1023 0.093 Uiso 1 1 calc R
H107 H 0.5637 0.8167 -0.0187 0.093 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'
P P 0.1023 0.0942 '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
C1 P1 P2 99.81(7) . .
C27 P2 P1 101.69(7) . .
C5 C1 C2 107.59(17) . .
C5 C1 P1 119.15(15) . .
C2 C1 P1 132.95(16) . .
C5 C1 Fe1 69.09(11) . .
C2 C1 Fe1 69.81(11) . .
P1 C1 Fe1 121.28(10) . .
C3 C2 C1 107.23(18) . .
C3 C2 C11 123.07(19) . .
C1 C2 C11 129.19(18) . .
C3 C2 Fe1 69.28(11) . .
C1 C2 Fe1 68.92(11) . .
C11 C2 Fe1 133.18(14) . .
C4 C3 C2 108.97(19) . .
C4 C3 Fe1 69.44(12) . .
C2 C3 Fe1 70.04(12) . .
C4 C3 H1 125.5 . .
C2 C3 H1 125.5 . .
Fe1 C3 H1 126.6 . .
C3 C4 C5 108.46(18) . .
C3 C4 Fe1 70.08(12) . .
C5 C4 Fe1 69.52(11) . .
C3 C4 H2 125.8 . .
C5 C4 H2 125.8 . .
Fe1 C4 H2 126.2 . .
C4 C5 C1 107.74(18) . .
C4 C5 C19 125.42(18) . .
C1 C5 C19 126.16(19) . .
C4 C5 Fe1 69.55(12) . .
C1 C5 Fe1 69.60(11) . .
C19 C5 Fe1 133.59(15) . .
C8 Fe1 C9 40.78(11) . .
C8 Fe1 C5 119.51(9) . .
C9 Fe1 C5 107.01(10) . .
C8 Fe1 C4 106.84(9) . .
C9 Fe1 C4 125.00(10) . .
C5 Fe1 C4 40.93(8) . .
C8 Fe1 C7 40.56(11) . .
C9 Fe1 C7 68.31(11) . .
C5 Fe1 C7 154.57(10) . .
C4 Fe1 C7 119.87(10) . .
C8 Fe1 C1 155.12(10) . .
C9 Fe1 C1 120.23(10) . .
C5 Fe1 C1 41.31(8) . .
C4 Fe1 C1 69.06(8) . .
C7 Fe1 C1 162.90(10) . .
C8 Fe1 C6 67.92(10) . .
C9 Fe1 C6 67.95(11) . .
C5 Fe1 C6 163.20(10) . .
C4 Fe1 C6 155.08(11) . .
C7 Fe1 C6 40.27(11) . .
C1 Fe1 C6 126.07(9) . .
C8 Fe1 C10 68.09(10) . .
C9 Fe1 C10 40.32(11) . .
C5 Fe1 C10 125.56(10) . .
C4 Fe1 C10 162.43(10) . .
C7 Fe1 C10 68.01(11) . .
C1 Fe1 C10 108.03(9) . .
C6 Fe1 C10 40.40(11) . .
C8 Fe1 C3 124.88(10) . .
C9 Fe1 C3 162.02(10) . .
C5 Fe1 C3 68.64(8) . .
C4 Fe1 C3 40.48(8) . .
C7 Fe1 C3 107.68(10) . .
C1 Fe1 C3 68.81(8) . .
C6 Fe1 C3 121.12(10) . .
C10 Fe1 C3 156.15(10) . .
C8 Fe1 C2 162.05(11) . .
C9 Fe1 C2 155.86(10) . .
C5 Fe1 C2 69.30(8) . .
C4 Fe1 C2 68.72(8) . .
C7 Fe1 C2 125.30(10) . .
C1 Fe1 C2 41.26(8) . .
C6 Fe1 C2 108.34(9) . .
C10 Fe1 C2 121.28(9) . .
C3 Fe1 C2 40.68(8) . .
C7 C6 C10 108.3(2) . .
C7 C6 Fe1 69.58(14) . .
C10 C6 Fe1 69.80(14) . .
C7 C6 H3 125.9 . .
C10 C6 H3 125.9 . .
Fe1 C6 H3 126.3 . .
C6 C7 C8 108.0(3) . .
C6 C7 Fe1 70.15(14) . .
C8 C7 Fe1 69.65(14) . .
C6 C7 H4 126.0 . .
C8 C7 H4 126.0 . .
Fe1 C7 H4 125.8 . .
C7 C8 C9 107.8(2) . .
C7 C8 Fe1 69.79(13) . .
C9 C8 Fe1 69.62(13) . .
C7 C8 H5 126.1 . .
C9 C8 H5 126.1 . .
Fe1 C8 H5 126.1 . .
C10 C9 C8 107.9(2) . .
C10 C9 Fe1 70.18(14) . .
C8 C9 Fe1 69.59(14) . .
C10 C9 H6 126.0 . .
C8 C9 H6 126.0 . .
Fe1 C9 H6 125.8 . .
C9 C10 C6 108.0(2) . .
C9 C10 Fe1 69.50(14) . .
C6 C10 Fe1 69.80(14) . .
C9 C10 H7 126.0 . .
C6 C10 H7 126.0 . .
Fe1 C10 H7 126.3 . .
C12 C11 C16 118.86(19) . .
C12 C11 C2 117.46(18) . .
C16 C11 C2 123.67(19) . .
C11 C12 C13 121.60(19) . .
C11 C12 H8 119.2 . .
C13 C12 H8 119.2 . .
C14 C13 C12 118.5(2) . .
C14 C13 C17 121.5(2) . .
C12 C13 C17 120.0(2) . .
C13 C14 C15 121.3(2) . .
C13 C14 H9 119.4 . .
C15 C14 H9 119.4 . .
C16 C15 C14 119.2(2) . .
C16 C15 C18 120.9(2) . .
C14 C15 C18 120.0(2) . .
C15 C16 C11 120.6(2) . .
C15 C16 H10 119.7 . .
C11 C16 H10 119.7 . .
C13 C17 H11 109.5 . .
C13 C17 H12 109.5 . .
H11 C17 H12 109.5 . .
C13 C17 H13 109.5 . .
H11 C17 H13 109.5 . .
H12 C17 H13 109.5 . .
C15 C18 H14 109.5 . .
C15 C18 H15 109.5 . .
H14 C18 H15 109.5 . .
C15 C18 H16 109.5 . .
H14 C18 H16 109.5 . .
H15 C18 H16 109.5 . .
C20 C19 C24 118.5(2) . .
C20 C19 C5 119.05(19) . .
C24 C19 C5 122.2(2) . .
C19 C20 C21 121.3(2) . .
C19 C20 H17 119.3 . .
C21 C20 H17 119.3 . .
C22 C21 C20 118.7(2) . .
C22 C21 C25 121.0(2) . .
C20 C21 C25 120.3(2) . .
C21 C22 C23 121.5(2) . .
C21 C22 H18 119.2 . .
C23 C22 H18 119.2 . .
C22 C23 C24 118.8(2) . .
C22 C23 C26 120.8(2) . .
C24 C23 C26 120.4(3) . .
C23 C24 C19 121.1(2) . .
C23 C24 H19 119.5 . .
C19 C24 H19 119.5 . .
C21 C25 H20 109.5 . .
C21 C25 H21 109.5 . .
H20 C25 H21 109.5 . .
C21 C25 H22 109.5 . .
H20 C25 H22 109.5 . .
H21 C25 H22 109.5 . .
C23 C26 H23 109.5 . .
C23 C26 H24 109.5 . .
H23 C26 H24 109.5 . .
C23 C26 H25 109.5 . .
H23 C26 H25 109.5 . .
H24 C26 H25 109.5 . .
C31 C27 C28 107.13(16) . .
C31 C27 P2 119.94(14) . .
C28 C27 P2 132.35(15) . .
C31 C27 Fe2 69.48(11) . .
C28 C27 Fe2 69.62(11) . .
P2 C27 Fe2 119.18(10) . .
C29 C28 C27 107.27(17) . .
C29 C28 C37 123.13(18) . .
C27 C28 C37 129.28(18) . .
C29 C28 Fe2 69.66(12) . .
C27 C28 Fe2 68.77(11) . .
C37 C28 Fe2 131.72(14) . .
C30 C29 C28 109.32(18) . .
C30 C29 Fe2 69.53(12) . .
C28 C29 Fe2 69.66(12) . .
C30 C29 H26 125.3 . .
C28 C29 H26 125.3 . .
Fe2 C29 H26 127.1 . .
C29 C30 C31 108.02(18) . .
C29 C30 Fe2 69.91(12) . .
C31 C30 Fe2 69.58(11) . .
C29 C30 H27 126.0 . .
C31 C30 H27 126.0 . .
Fe2 C30 H27 126.1 . .
C30 C31 C27 108.25(16) . .
C30 C31 C45 124.89(18) . .
C27 C31 C45 126.64(17) . .
C30 C31 Fe2 69.63(11) . .
C27 C31 Fe2 69.04(11) . .
C45 C31 Fe2 131.14(14) . .
C36 Fe2 C32 40.89(9) . .
C36 Fe2 C27 118.96(9) . .
C32 Fe2 C27 106.71(9) . .
C36 Fe2 C31 106.35(9) . .
C32 Fe2 C31 125.11(9) . .
C27 Fe2 C31 41.48(8) . .
C36 Fe2 C30 124.64(9) . .
C32 Fe2 C30 162.26(9) . .
C27 Fe2 C30 69.45(8) . .
C31 Fe2 C30 40.78(8) . .
C36 Fe2 C33 68.30(10) . .
C32 Fe2 C33 40.60(10) . .
C27 Fe2 C33 125.89(9) . .
C31 Fe2 C33 163.22(10) . .
C30 Fe2 C33 155.29(10) . .
C36 Fe2 C35 40.48(10) . .
C32 Fe2 C35 68.25(10) . .
C27 Fe2 C35 154.03(9) . .
C31 Fe2 C35 119.17(9) . .
C30 Fe2 C35 107.20(9) . .
C33 Fe2 C35 67.82(10) . .
C36 Fe2 C29 162.36(9) . .
C32 Fe2 C29 155.77(9) . .
C27 Fe2 C29 69.04(8) . .
C31 Fe2 C29 68.40(8) . .
C30 Fe2 C29 40.56(8) . .
C33 Fe2 C29 121.44(10) . .
C35 Fe2 C29 126.05(10) . .
C36 Fe2 C28 155.10(9) . .
C32 Fe2 C28 120.32(9) . .
C27 Fe2 C28 41.61(7) . .
C31 Fe2 C28 69.43(8) . .
C30 Fe2 C28 69.03(8) . .
C33 Fe2 C28 108.33(9) . .
C35 Fe2 C28 163.14(10) . .
C29 Fe2 C28 40.67(8) . .
C36 Fe2 C34 68.25(11) . .
C32 Fe2 C34 68.16(11) . .
C27 Fe2 C34 163.39(9) . .
C31 Fe2 C34 154.38(9) . .
C30 Fe2 C34 120.30(10) . .
C33 Fe2 C34 40.15(10) . .
C35 Fe2 C34 40.49(10) . .
C29 Fe2 C34 108.76(10) . .
C28 Fe2 C34 126.08(9) . .
C33 C32 C36 107.5(2) . .
C33 C32 Fe2 70.04(14) . .
C36 C32 Fe2 69.32(13) . .
C33 C32 H28 126.2 . .
C36 C32 H28 126.2 . .
Fe2 C32 H28 126.0 . .
C34 C33 C32 108.5(2) . .
C34 C33 Fe2 70.19(13) . .
C32 C33 Fe2 69.36(13) . .
C34 C33 H29 125.7 . .
C32 C33 H29 125.7 . .
Fe2 C33 H29 126.3 . .
C33 C34 C35 107.8(2) . .
C33 C34 Fe2 69.67(13) . .
C35 C34 Fe2 69.57(13) . .
C33 C34 H30 126.1 . .
C35 C34 H30 126.1 . .
Fe2 C34 H30 126.3 . .
C36 C35 C34 108.1(2) . .
C36 C35 Fe2 69.11(13) . .
C34 C35 Fe2 69.95(13) . .
C36 C35 H31 125.9 . .
C34 C35 H31 125.9 . .
Fe2 C35 H31 126.6 . .
C35 C36 C32 108.0(2) . .
C35 C36 Fe2 70.41(14) . .
C32 C36 Fe2 69.79(13) . .
C35 C36 H32 126.0 . .
C32 C36 H32 126.0 . .
Fe2 C36 H32 125.4 . .
C42 C37 C38 118.98(19) . .
C42 C37 C28 117.12(19) . .
C38 C37 C28 123.90(19) . .
C37 C38 C39 120.7(2) . .
C37 C38 H33 119.6 . .
C39 C38 H33 119.6 . .
C40 C39 C38 118.5(2) . .
C40 C39 C43 120.1(2) . .
C38 C39 C43 121.4(2) . .
C41 C40 C39 122.0(2) . .
C41 C40 H34 119.0 . .
C39 C40 H34 119.0 . .
C40 C41 C42 118.2(2) . .
C40 C41 C44 121.9(2) . .
C42 C41 C44 119.9(2) . .
C37 C42 C41 121.5(2) . .
C37 C42 H35 119.2 . .
C41 C42 H35 119.2 . .
C39 C43 H36 109.5 . .
C39 C43 H37 109.5 . .
H36 C43 H37 109.5 . .
C39 C43 H38 109.5 . .
H36 C43 H38 109.5 . .
H37 C43 H38 109.5 . .
C41 C44 H39 109.5 . .
C41 C44 H40 109.5 . .
H39 C44 H40 109.5 . .
C41 C44 H41 109.5 . .
H39 C44 H41 109.5 . .
H40 C44 H41 109.5 . .
C46 C45 C50 118.97(18) . .
C46 C45 C31 119.56(18) . .
C50 C45 C31 121.28(18) . .
C45 C46 C47 121.03(19) . .
C45 C46 H42 119.5 . .
C47 C46 H42 119.5 . .
C48 C47 C46 118.64(19) . .
C48 C47 C51 120.60(19) . .
C46 C47 C51 120.8(2) . .
C47 C48 C49 121.78(18) . .
C47 C48 H43 119.1 . .
C49 C48 H43 119.1 . .
C50 C49 C48 118.65(19) . .
C50 C49 C52 121.10(19) . .
C48 C49 C52 120.24(19) . .
C49 C50 C45 120.92(19) . .
C49 C50 H44 119.5 . .
C45 C50 H44 119.5 . .
C47 C51 H45 109.5 . .
C47 C51 H46 109.5 . .
H45 C51 H46 109.5 . .
C47 C51 H47 109.5 . .
H45 C51 H47 109.5 . .
H46 C51 H47 109.5 . .
C49 C52 H48 109.5 . .
C49 C52 H49 109.5 . .
H48 C52 H49 109.5 . .
C49 C52 H50 109.5 . .
H48 C52 H50 109.5 . .
H49 C52 H50 109.5 . .
C53 P3 P4 100.77(7) . .
C79 P4 P3 101.04(7) . .
C57 C53 C54 106.79(17) . .
C57 C53 P3 131.62(15) . .
C54 C53 P3 121.19(15) . .
C57 C53 Fe3 69.58(11) . .
C54 C53 Fe3 69.27(11) . .
P3 C53 Fe3 120.42(10) . .
C55 C54 C53 108.14(17) . .
C55 C54 C63 124.12(18) . .
C53 C54 C63 127.42(18) . .
C55 C54 Fe3 69.59(11) . .
C53 C54 Fe3 69.16(11) . .
C63 C54 Fe3 131.92(14) . .
C56 C55 C54 108.36(18) . .
C56 C55 Fe3 70.07(12) . .
C54 C55 Fe3 69.77(11) . .
C56 C55 H51 125.8 . .
C54 C55 H51 125.8 . .
Fe3 C55 H51 125.9 . .
C55 C56 C57 109.05(18) . .
C55 C56 Fe3 69.38(12) . .
C57 C56 Fe3 69.76(12) . .
C55 C56 H52 125.5 . .
C57 C56 H52 125.5 . .
Fe3 C56 H52 127.0 . .
C56 C57 C53 107.65(17) . .
C56 C57 C71 122.58(19) . .
C53 C57 C71 129.52(19) . .
C56 C57 Fe3 69.73(11) . .
C53 C57 Fe3 68.93(11) . .
C71 C57 Fe3 131.02(15) . .
C59 Fe3 C58 40.80(10) . .
C59 Fe3 C60 40.68(10) . .
C58 Fe3 C60 68.50(9) . .
C59 Fe3 C55 125.48(9) . .
C58 Fe3 C55 163.69(9) . .
C60 Fe3 C55 106.49(9) . .
C59 Fe3 C53 117.47(9) . .
C58 Fe3 C53 107.22(9) . .
C60 Fe3 C53 151.47(9) . .
C55 Fe3 C53 69.34(8) . .
C59 Fe3 C54 105.89(9) . .
C58 Fe3 C54 126.43(9) . .
C60 Fe3 C54 116.83(9) . .
C55 Fe3 C54 40.63(8) . .
C53 Fe3 C54 41.58(8) . .
C59 Fe3 C61 68.44(10) . .
C58 Fe3 C61 68.37(10) . .
C60 Fe3 C61 40.70(10) . .
C55 Fe3 C61 118.67(9) . .
C53 Fe3 C61 166.11(9) . .
C54 Fe3 C61 151.63(9) . .
C59 Fe3 C62 68.51(10) . .
C58 Fe3 C62 40.70(10) . .
C60 Fe3 C62 68.39(9) . .
C55 Fe3 C62 153.56(9) . .
C53 Fe3 C62 127.75(9) . .
C54 Fe3 C62 165.35(9) . .
C61 Fe3 C62 40.51(9) . .
C59 Fe3 C56 163.86(9) . .
C58 Fe3 C56 154.54(9) . .
C60 Fe3 C56 127.09(9) . .
C55 Fe3 C56 40.55(8) . .
C53 Fe3 C56 68.95(8) . .
C54 Fe3 C56 68.35(8) . .
C61 Fe3 C56 109.01(9) . .
C62 Fe3 C56 120.66(9) . .
C59 Fe3 C57 153.36(9) . .
C58 Fe3 C57 119.90(9) . .
C60 Fe3 C57 165.26(9) . .
C55 Fe3 C57 68.77(8) . .
C53 Fe3 C57 41.50(8) . .
C54 Fe3 C57 69.30(8) . .
C61 Fe3 C57 128.18(9) . .
C62 Fe3 C57 109.25(9) . .
C56 Fe3 C57 40.51(8) . .
C59 C58 C62 108.0(2) . .
C59 C58 Fe3 69.45(13) . .
C62 C58 Fe3 70.00(13) . .
C59 C58 H53 126.0 . .
C62 C58 H53 126.0 . .
Fe3 C58 H53 126.1 . .
C60 C59 C58 108.0(2) . .
C60 C59 Fe3 69.82(13) . .
C58 C59 Fe3 69.75(13) . .
C60 C59 H54 126.0 . .
C58 C59 H54 126.0 . .
Fe3 C59 H54 126.0 . .
C59 C60 C61 108.0(2) . .
C59 C60 Fe3 69.50(12) . .
C61 C60 Fe3 69.97(12) . .
C59 C60 H55 126.0 . .
C61 C60 H55 126.0 . .
Fe3 C60 H55 126.1 . .
C62 C61 C60 108.0(2) . .
C62 C61 Fe3 69.76(12) . .
C60 C61 Fe3 69.33(12) . .
C62 C61 H56 126.0 . .
C60 C61 H56 126.0 . .
Fe3 C61 H56 126.5 . .
C61 C62 C58 107.9(2) . .
C61 C62 Fe3 69.73(13) . .
C58 C62 Fe3 69.30(13) . .
C61 C62 H57 126.0 . .
C58 C62 H57 126.0 . .
Fe3 C62 H57 126.5 . .
C64 C63 C68 118.82(19) . .
C64 C63 C54 119.53(18) . .
C68 C63 C54 121.44(18) . .
C63 C64 C65 121.2(2) . .
C63 C64 H58 119.4 . .
C65 C64 H58 119.4 . .
C66 C65 C64 118.4(2) . .
C66 C65 C69 120.6(2) . .
C64 C65 C69 121.0(2) . .
C67 C66 C65 122.0(2) . .
C67 C66 H59 119.0 . .
C65 C66 H59 119.0 . .
C66 C67 C68 118.8(2) . .
C66 C67 C70 120.2(2) . .
C68 C67 C70 121.0(2) . .
C67 C68 C63 120.8(2) . .
C67 C68 H60 119.6 . .
C63 C68 H60 119.6 . .
C65 C69 H61 109.5 . .
C65 C69 H62 109.5 . .
H61 C69 H62 109.5 . .
C65 C69 H63 109.5 . .
H61 C69 H63 109.5 . .
H62 C69 H63 109.5 . .
C67 C70 H64 109.5 . .
C67 C70 H65 109.5 . .
H64 C70 H65 109.5 . .
C67 C70 H66 109.5 . .
H64 C70 H66 109.5 . .
H65 C70 H66 109.5 . .
C72 C71 C76 119.7(2) . .
C72 C71 C57 123.4(2) . .
C76 C71 C57 116.8(2) . .
C71 C72 C73 120.1(3) . .
C71 C72 H67 120.0 . .
C73 C72 H67 120.0 . .
C74 C73 C72 118.1(3) . .
C74 C73 C77 122.0(3) . .
C72 C73 C77 119.8(3) . .
C75 C74 C73 122.8(2) . .
C75 C74 H68 118.6 . .
C73 C74 H68 118.6 . .
C74 C75 C76 117.6(3) . .
C74 C75 C78 122.2(3) . .
C76 C75 C78 120.1(3) . .
C71 C76 C75 121.6(3) . .
C71 C76 H69 119.2 . .
C75 C76 H69 119.2 . .
C73 C77 H70 109.5 . .
C73 C77 H71 109.5 . .
H70 C77 H71 109.5 . .
C73 C77 H72 109.5 . .
H70 C77 H72 109.5 . .
H71 C77 H72 109.5 . .
C75 C78 H73 109.5 . .
C75 C78 H74 109.5 . .
H73 C78 H74 109.5 . .
C75 C78 H75 109.5 . .
H73 C78 H75 109.5 . .
H74 C78 H75 109.5 . .
C83 C79 C80 107.27(17) . .
C83 C79 P4 120.19(15) . .
C80 C79 P4 131.86(15) . .
C83 C79 Fe4 69.05(11) . .
C80 C79 Fe4 69.46(11) . .
P4 C79 Fe4 119.20(10) . .
C81 C80 C79 107.35(18) . .
C81 C80 C89 123.77(19) . .
C79 C80 C89 128.51(18) . .
C81 C80 Fe4 69.61(11) . .
C79 C80 Fe4 69.06(11) . .
C89 C80 Fe4 131.92(14) . .
C82 C81 C80 109.12(18) . .
C82 C81 Fe4 69.40(11) . .
C80 C81 Fe4 69.69(11) . .
C82 C81 H76 125.4 . .
C80 C81 H76 125.4 . .
Fe4 C81 H76 127.1 . .
C81 C82 C83 108.36(18) . .
C81 C82 Fe4 69.99(11) . .
C83 C82 Fe4 69.54(11) . .
C81 C82 H77 125.8 . .
C83 C82 H77 125.8 . .
Fe4 C82 H77 126.2 . .
C82 C83 C79 107.90(17) . .
C82 C83 C97 125.90(18) . .
C79 C83 C97 126.02(18) . .
C82 C83 Fe4 69.63(11) . .
C79 C83 Fe4 69.38(11) . .
C97 C83 Fe4 130.31(14) . .
C87 Fe4 C83 106.76(9) . .
C87 Fe4 C82 127.90(9) . .
C83 Fe4 C82 40.83(8) . .
C87 Fe4 C88 40.70(9) . .
C83 Fe4 C88 128.55(9) . .
C82 Fe4 C88 166.64(9) . .
C87 Fe4 C79 116.59(9) . .
C83 Fe4 C79 41.57(8) . .
C82 Fe4 C79 69.30(8) . .
C88 Fe4 C79 107.80(9) . .
C87 Fe4 C86 40.33(9) . .
C83 Fe4 C86 115.70(9) . .
C82 Fe4 C86 107.22(9) . .
C88 Fe4 C86 68.24(9) . .
C79 Fe4 C86 149.41(9) . .
C87 Fe4 C85 68.07(9) . .
C83 Fe4 C85 149.47(9) . .
C82 Fe4 C85 117.21(9) . .
C88 Fe4 C85 68.16(9) . .
C79 Fe4 C85 168.33(9) . .
C86 Fe4 C85 40.65(9) . .
C87 Fe4 C81 166.61(9) . .
C83 Fe4 C81 68.64(8) . .
C82 Fe4 C81 40.61(8) . .
C88 Fe4 C81 151.77(9) . .
C79 Fe4 C81 68.93(8) . .
C86 Fe4 C81 129.12(9) . .
C85 Fe4 C81 109.09(9) . .
C87 Fe4 C84 68.21(9) . .
C83 Fe4 C84 167.73(9) . .
C82 Fe4 C84 151.01(9) . .
C88 Fe4 C84 40.52(9) . .
C79 Fe4 C84 129.47(9) . .
C86 Fe4 C84 68.29(9) . .
C85 Fe4 C84 40.52(9) . .
C81 Fe4 C84 118.79(9) . .
C87 Fe4 C80 151.02(9) . .
C83 Fe4 C80 69.62(8) . .
C82 Fe4 C80 69.01(8) . .
C88 Fe4 C80 118.05(9) . .
C79 Fe4 C80 41.48(8) . .
C86 Fe4 C80 167.75(9) . .
C85 Fe4 C80 129.67(9) . .
C81 Fe4 C80 40.70(8) . .
C84 Fe4 C80 108.99(9) . .
C88 C84 C85 107.9(2) . .
C88 C84 Fe4 69.50(12) . .
C85 C84 Fe4 69.65(12) . .
C88 C84 H78 126.1 . .
C85 C84 H78 126.1 . .
Fe4 C84 H78 126.3 . .
C84 C85 C86 108.0(2) . .
C84 C85 Fe4 69.83(12) . .
C86 C85 Fe4 69.59(12) . .
C84 C85 H79 126.0 . .
C86 C85 H79 126.0 . .
Fe4 C85 H79 126.2 . .
C87 C86 C85 107.8(2) . .
C87 C86 Fe4 69.47(12) . .
C85 C86 Fe4 69.75(12) . .
C87 C86 H80 126.1 . .
C85 C86 H80 126.1 . .
Fe4 C86 H80 126.2 . .
C86 C87 C88 108.5(2) . .
C86 C87 Fe4 70.20(13) . .
C88 C87 Fe4 69.94(12) . .
C86 C87 H81 125.7 . .
C88 C87 H81 125.7 . .
Fe4 C87 H81 125.7 . .
C84 C88 C87 107.8(2) . .
C84 C88 Fe4 69.98(12) . .
C87 C88 Fe4 69.36(12) . .
C84 C88 H82 126.1 . .
C87 C88 H82 126.1 . .
Fe4 C88 H82 126.1 . .
C94 C89 C90 119.0(2) . .
C94 C89 C80 123.5(2) . .
C90 C89 C80 117.4(2) . .
C89 C90 C91 121.3(2) . .
C89 C90 H83 119.4 . .
C91 C90 H83 119.4 . .
C92 C91 C90 118.3(2) . .
C92 C91 C95 122.0(2) . .
C90 C91 C95 119.7(2) . .
C91 C92 C93 121.9(2) . .
C91 C92 H84 119.0 . .
C93 C92 H84 119.0 . .
C92 C93 C94 118.8(2) . .
C92 C93 C96 120.8(2) . .
C94 C93 C96 120.4(2) . .
C89 C94 C93 120.6(2) . .
C89 C94 H85 119.7 . .
C93 C94 H85 119.7 . .
C91 C95 H86 109.5 . .
C91 C95 H87 109.5 . .
H86 C95 H87 109.5 . .
C91 C95 H88 109.5 . .
H86 C95 H88 109.5 . .
H87 C95 H88 109.5 . .
C93 C96 H89 109.5 . .
C93 C96 H90 109.5 . .
H89 C96 H90 109.5 . .
C93 C96 H91 109.5 . .
H89 C96 H91 109.5 . .
H90 C96 H91 109.5 . .
C102 C97 C98 118.61(19) . .
C102 C97 C83 122.02(18) . .
C98 C97 C83 119.32(18) . .
C99 C98 C97 121.4(2) . .
C99 C98 H92 119.3 . .
C97 C98 H92 119.3 . .
C98 C99 C100 118.5(2) . .
C98 C99 C103 120.9(2) . .
C100 C99 C103 120.6(2) . .
C99 C100 C101 121.5(2) . .
C99 C100 H93 119.3 . .
C101 C100 H93 119.3 . .
C102 C101 C100 119.1(2) . .
C102 C101 C104 121.2(2) . .
C100 C101 C104 119.7(2) . .
C101 C102 C97 120.9(2) . .
C101 C102 H94 119.5 . .
C97 C102 H94 119.5 . .
C99 C103 H95 109.5 . .
C99 C103 H96 109.5 . .
H95 C103 H96 109.5 . .
C99 C103 H97 109.5 . .
H95 C103 H97 109.5 . .
H96 C103 H97 109.5 . .
C101 C104 H98 109.5 . .
C101 C104 H99 109.5 . .
H98 C104 H99 109.5 . .
C101 C104 H100 109.5 . .
H98 C104 H100 109.5 . .
H99 C104 H100 109.5 . .
C106 C105 C105 114.3(3) . 2_675
C106 C105 H101 108.7 . .
C105 C105 H101 108.7 2_675 .
C106 C105 H102 108.7 . .
C105 C105 H102 108.7 2_675 .
H101 C105 H102 107.6 . .
C105 C106 C107 114.3(3) . .
C105 C106 H103 108.7 . .
C107 C106 H103 108.7 . .
C105 C106 H104 108.7 . .
C107 C106 H104 108.7 . .
H103 C106 H104 107.6 . .
C106 C107 H105 109.5 . .
C106 C107 H106 109.5 . .
H105 C107 H106 109.5 . .
C106 C107 H107 109.5 . .
H105 C107 H107 109.5 . .
H106 C107 H107 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C1 1.826(2) .
P1 P2 2.0312(8) .
P2 C27 1.815(2) .
C1 C5 1.446(3) .
C1 C2 1.451(3) .
C1 Fe1 2.053(2) .
C2 C3 1.432(3) .
C2 C11 1.486(3) .
C2 Fe1 2.065(2) .
C3 C4 1.419(3) .
C3 Fe1 2.055(2) .
C3 H1 0.9500 .
C4 C5 1.431(3) .
C4 Fe1 2.046(2) .
C4 H2 0.9500 .
C5 C19 1.487(3) .
C5 Fe1 2.046(2) .
Fe1 C8 2.045(2) .
Fe1 C9 2.045(2) .
Fe1 C7 2.047(2) .
Fe1 C6 2.054(2) .
Fe1 C10 2.054(2) .
C6 C7 1.412(4) .
C6 C10 1.418(4) .
C6 H3 0.9500 .
C7 C8 1.418(4) .
C7 H4 0.9500 .
C8 C9 1.425(4) .
C8 H5 0.9500 .
C9 C10 1.413(4) .
C9 H6 0.9500 .
C10 H7 0.9500 .
C11 C12 1.393(3) .
C11 C16 1.402(3) .
C12 C13 1.394(3) .
C12 H8 0.9500 .
C13 C14 1.391(3) .
C13 C17 1.514(3) .
C14 C15 1.401(3) .
C14 H9 0.9500 .
C15 C16 1.391(3) .
C15 C18 1.515(3) .
C16 H10 0.9500 .
C17 H11 0.9800 .
C17 H12 0.9800 .
C17 H13 0.9800 .
C18 H14 0.9800 .
C18 H15 0.9800 .
C18 H16 0.9800 .
C19 C20 1.394(3) .
C19 C24 1.396(3) .
C20 C21 1.395(3) .
C20 H17 0.9500 .
C21 C22 1.383(4) .
C21 C25 1.507(4) .
C22 C23 1.391(4) .
C22 H18 0.9500 .
C23 C24 1.393(3) .
C23 C26 1.513(4) .
C24 H19 0.9500 .
C25 H20 0.9800 .
C25 H21 0.9800 .
C25 H22 0.9800 .
C26 H23 0.9800 .
C26 H24 0.9800 .
C26 H25 0.9800 .
C27 C31 1.449(3) .
C27 C28 1.455(3) .
C27 Fe2 2.0429(19) .
C28 C29 1.428(3) .
C28 C37 1.484(3) .
C28 Fe2 2.054(2) .
C29 C30 1.423(3) .
C29 Fe2 2.054(2) .
C29 H26 0.9500 .
C30 C31 1.428(3) .
C30 Fe2 2.049(2) .
C30 H27 0.9500 .
C31 C45 1.483(3) .
C31 Fe2 2.0487(19) .
Fe2 C36 2.035(2) .
Fe2 C32 2.041(2) .
Fe2 C33 2.050(2) .
Fe2 C35 2.052(2) .
Fe2 C34 2.057(2) .
C32 C33 1.420(4) .
C32 C36 1.424(3) .
C32 H28 0.9500 .
C33 C34 1.410(4) .
C33 H29 0.9500 .
C34 C35 1.422(4) .
C34 H30 0.9500 .
C35 C36 1.414(4) .
C35 H31 0.9500 .
C36 H32 0.9500 .
C37 C42 1.393(3) .
C37 C38 1.398(3) .
C38 C39 1.402(3) .
C38 H33 0.9500 .
C39 C40 1.392(3) .
C39 C43 1.511(3) .
C40 C41 1.391(4) .
C40 H34 0.9500 .
C41 C42 1.396(3) .
C41 C44 1.510(3) .
C42 H35 0.9500 .
C43 H36 0.9800 .
C43 H37 0.9800 .
C43 H38 0.9800 .
C44 H39 0.9800 .
C44 H40 0.9800 .
C44 H41 0.9800 .
C45 C46 1.396(3) .
C45 C50 1.400(3) .
C46 C47 1.400(3) .
C46 H42 0.9500 .
C47 C48 1.386(3) .
C47 C51 1.507(3) .
C48 C49 1.397(3) .
C48 H43 0.9500 .
C49 C50 1.395(3) .
C49 C52 1.504(3) .
C50 H44 0.9500 .
C51 H45 0.9800 .
C51 H46 0.9800 .
C51 H47 0.9800 .
C52 H48 0.9800 .
C52 H49 0.9800 .
C52 H50 0.9800 .
P3 C53 1.816(2) .
P3 P4 2.0379(8) .
P4 C79 1.824(2) .
C53 C57 1.453(3) .
C53 C54 1.453(3) .
C53 Fe3 2.0468(19) .
C54 C55 1.422(3) .
C54 C63 1.483(3) .
C54 Fe3 2.048(2) .
C55 C56 1.421(3) .
C55 Fe3 2.046(2) .
C55 H51 0.9500 .
C56 C57 1.423(3) .
C56 Fe3 2.055(2) .
C56 H52 0.9500 .
C57 C71 1.487(3) .
C57 Fe3 2.056(2) .
Fe3 C59 2.042(2) .
Fe3 C58 2.046(2) .
Fe3 C60 2.046(2) .
Fe3 C61 2.054(2) .
Fe3 C62 2.055(2) .
C58 C59 1.425(3) .
C58 C62 1.426(4) .
C58 H53 0.9500 .
C59 C60 1.421(3) .
C59 H54 0.9500 .
C60 C61 1.426(3) .
C60 H55 0.9500 .
C61 C62 1.423(3) .
C61 H56 0.9500 .
C62 H57 0.9500 .
C63 C64 1.395(3) .
C63 C68 1.400(3) .
C64 C65 1.396(3) .
C64 H58 0.9500 .
C65 C66 1.388(3) .
C65 C69 1.501(3) .
C66 C67 1.386(3) .
C66 H59 0.9500 .
C67 C68 1.396(3) .
C67 C70 1.510(3) .
C68 H60 0.9500 .
C69 H61 0.9800 .
C69 H62 0.9800 .
C69 H63 0.9800 .
C70 H64 0.9800 .
C70 H65 0.9800 .
C70 H66 0.9800 .
C71 C72 1.392(3) .
C71 C76 1.396(3) .
C72 C73 1.409(3) .
C72 H67 0.9500 .
C73 C74 1.403(5) .
C73 C77 1.507(4) .
C74 C75 1.381(5) .
C74 H68 0.9500 .
C75 C76 1.397(3) .
C75 C78 1.503(5) .
C76 H69 0.9500 .
C77 H70 0.9800 .
C77 H71 0.9800 .
C77 H72 0.9800 .
C78 H73 0.9800 .
C78 H74 0.9800 .
C78 H75 0.9800 .
C79 C83 1.454(3) .
C79 C80 1.454(3) .
C79 Fe4 2.0504(19) .
C80 C81 1.430(3) .
C80 C89 1.489(3) .
C80 Fe4 2.056(2) .
C81 C82 1.424(3) .
C81 Fe4 2.055(2) .
C81 H76 0.9500 .
C82 C83 1.428(3) .
C82 Fe4 2.047(2) .
C82 H77 0.9500 .
C83 C97 1.479(3) .
C83 Fe4 2.0459(19) .
Fe4 C87 2.042(2) .
Fe4 C88 2.049(2) .
Fe4 C86 2.051(2) .
Fe4 C85 2.053(2) .
Fe4 C84 2.056(2) .
C84 C88 1.421(3) .
C84 C85 1.423(3) .
C84 H78 0.9500 .
C85 C86 1.426(3) .
C85 H79 0.9500 .
C86 C87 1.411(3) .
C86 H80 0.9500 .
C87 C88 1.423(3) .
C87 H81 0.9500 .
C88 H82 0.9500 .
C89 C94 1.395(3) .
C89 C90 1.395(3) .
C90 C91 1.402(3) .
C90 H83 0.9500 .
C91 C92 1.383(4) .
C91 C95 1.515(4) .
C92 C93 1.393(4) .
C92 H84 0.9500 .
C93 C94 1.403(3) .
C93 C96 1.516(4) .
C94 H85 0.9500 .
C95 H86 0.9800 .
C95 H87 0.9800 .
C95 H88 0.9800 .
C96 H89 0.9800 .
C96 H90 0.9800 .
C96 H91 0.9800 .
C97 C102 1.399(3) .
C97 C98 1.401(3) .
C98 C99 1.391(3) .
C98 H92 0.9500 .
C99 C100 1.393(3) .
C99 C103 1.512(3) .
C100 C101 1.393(3) .
C100 H93 0.9500 .
C101 C102 1.389(3) .
C101 C104 1.516(3) .
C102 H94 0.9500 .
C103 H95 0.9800 .
C103 H96 0.9800 .
C103 H97 0.9800 .
C104 H98 0.9800 .
C104 H99 0.9800 .
C104 H100 0.9800 .
C105 C106 1.516(4) .
C105 C105 1.523(6) 2_675
C105 H101 0.9900 .
C105 H102 0.9900 .
C106 C107 1.519(4) .
C106 H103 0.9900 .
C106 H104 0.9900 .
C107 H105 0.9800 .
C107 H106 0.9800 .
C107 H107 0.9800 .
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
C1 P1 P2 C27 -179.56(9) .
P2 P1 C1 C5 137.46(15) .
P2 P1 C1 C2 -49.8(2) .
P2 P1 C1 Fe1 -140.55(10) .
C5 C1 C2 C3 0.1(2) .
P1 C1 C2 C3 -173.32(16) .
Fe1 C1 C2 C3 -58.90(14) .
C5 C1 C2 C11 -171.83(19) .
P1 C1 C2 C11 14.8(3) .
Fe1 C1 C2 C11 129.2(2) .
C5 C1 C2 Fe1 58.97(13) .
P1 C1 C2 Fe1 -114.42(18) .
C1 C2 C3 C4 0.0(2) .
C11 C2 C3 C4 172.52(18) .
Fe1 C2 C3 C4 -58.67(14) .
C1 C2 C3 Fe1 58.68(13) .
C11 C2 C3 Fe1 -128.81(19) .
C2 C3 C4 C5 -0.1(2) .
Fe1 C3 C4 C5 -59.12(14) .
C2 C3 C4 Fe1 59.04(14) .
C3 C4 C5 C1 0.1(2) .
Fe1 C4 C5 C1 -59.34(13) .
C3 C4 C5 C19 -170.91(19) .
Fe1 C4 C5 C19 129.6(2) .
C3 C4 C5 Fe1 59.46(14) .
C2 C1 C5 C4 -0.1(2) .
P1 C1 C5 C4 174.35(14) .
Fe1 C1 C5 C4 59.31(14) .
C2 C1 C5 C19 170.83(19) .
P1 C1 C5 C19 -14.7(3) .
Fe1 C1 C5 C19 -129.7(2) .
C2 C1 C5 Fe1 -59.43(13) .
P1 C1 C5 Fe1 115.04(13) .
C4 C5 Fe1 C8 81.69(15) .
C1 C5 Fe1 C8 -159.25(13) .
C19 C5 Fe1 C8 -38.3(2) .
C4 C5 Fe1 C9 124.24(14) .
C1 C5 Fe1 C9 -116.70(13) .
C19 C5 Fe1 C9 4.3(2) .
C1 C5 Fe1 C4 119.06(17) .
C19 C5 Fe1 C4 -119.9(2) .
C4 C5 Fe1 C7 49.1(3) .
C1 C5 Fe1 C7 168.2(2) .
C19 C5 Fe1 C7 -70.8(3) .
C4 C5 Fe1 C1 -119.06(17) .
C19 C5 Fe1 C1 121.0(2) .
C4 C5 Fe1 C6 -165.9(3) .
C1 C5 Fe1 C6 -46.9(4) .
C19 C5 Fe1 C6 74.1(4) .
C4 C5 Fe1 C10 164.66(13) .
C1 C5 Fe1 C10 -76.28(15) .
C19 C5 Fe1 C10 44.7(2) .
C4 C5 Fe1 C3 -37.28(12) .
C1 C5 Fe1 C3 81.78(12) .
C19 C5 Fe1 C3 -157.2(2) .
C4 C5 Fe1 C2 -81.00(13) .
C1 C5 Fe1 C2 38.06(12) .
C19 C5 Fe1 C2 159.1(2) .
C3 C4 Fe1 C8 124.46(14) .
C5 C4 Fe1 C8 -115.88(14) .
C3 C4 Fe1 C9 165.54(14) .
C5 C4 Fe1 C9 -74.80(16) .
C3 C4 Fe1 C5 -119.66(17) .
C3 C4 Fe1 C7 82.32(15) .
C5 C4 Fe1 C7 -158.02(13) .
C3 C4 Fe1 C1 -81.51(13) .
C5 C4 Fe1 C1 38.16(12) .
C3 C4 Fe1 C6 50.8(3) .
C5 C4 Fe1 C6 170.4(2) .
C3 C4 Fe1 C10 -165.1(3) .
C5 C4 Fe1 C10 -45.5(4) .
C5 C4 Fe1 C3 119.66(17) .
C3 C4 Fe1 C2 -37.12(12) .
C5 C4 Fe1 C2 82.54(13) .
C5 C1 Fe1 C8 47.1(3) .
C2 C1 Fe1 C8 166.1(2) .
P1 C1 Fe1 C8 -65.1(3) .
C5 C1 Fe1 C9 81.37(14) .
C2 C1 Fe1 C9 -159.61(13) .
P1 C1 Fe1 C9 -30.85(17) .
C2 C1 Fe1 C5 119.02(16) .
P1 C1 Fe1 C5 -112.22(17) .
C5 C1 Fe1 C4 -37.82(12) .
C2 C1 Fe1 C4 81.20(12) .
P1 C1 Fe1 C4 -150.04(15) .
C5 C1 Fe1 C7 -162.6(3) .
C2 C1 Fe1 C7 -43.5(4) .
P1 C1 Fe1 C7 85.2(4) .
C5 C1 Fe1 C6 164.87(14) .
C2 C1 Fe1 C6 -76.11(16) .
P1 C1 Fe1 C6 52.65(18) .
C5 C1 Fe1 C10 123.79(13) .
C2 C1 Fe1 C10 -117.19(13) .
P1 C1 Fe1 C10 11.57(16) .
C5 C1 Fe1 C3 -81.34(13) .
C2 C1 Fe1 C3 37.68(12) .
P1 C1 Fe1 C3 166.45(15) .
C5 C1 Fe1 C2 -119.02(16) .
P1 C1 Fe1 C2 128.76(18) .
C4 C3 Fe1 C8 -74.16(16) .
C2 C3 Fe1 C8 165.47(13) .
C4 C3 Fe1 C9 -41.5(4) .
C2 C3 Fe1 C9 -161.9(3) .
C4 C3 Fe1 C5 37.68(12) .
C2 C3 Fe1 C5 -82.69(13) .
C2 C3 Fe1 C4 -120.37(17) .
C4 C3 Fe1 C7 -115.59(14) .
C2 C3 Fe1 C7 124.04(13) .
C4 C3 Fe1 C1 82.17(13) .
C2 C3 Fe1 C1 -38.21(12) .
C4 C3 Fe1 C6 -157.60(13) .
C2 C3 Fe1 C6 82.03(15) .
C4 C3 Fe1 C10 169.0(2) .
C2 C3 Fe1 C10 48.6(3) .
C4 C3 Fe1 C2 120.37(17) .
C3 C2 Fe1 C8 -41.9(3) .
C1 C2 Fe1 C8 -160.9(3) .
C11 C2 Fe1 C8 74.5(4) .
C3 C2 Fe1 C9 166.4(2) .
C1 C2 Fe1 C9 47.4(3) .
C11 C2 Fe1 C9 -77.1(3) .
C3 C2 Fe1 C5 80.93(13) .
C1 C2 Fe1 C5 -38.10(11) .
C11 C2 Fe1 C5 -162.6(2) .
C3 C2 Fe1 C4 36.94(12) .
C1 C2 Fe1 C4 -82.08(12) .
C11 C2 Fe1 C4 153.4(2) .
C3 C2 Fe1 C7 -75.34(16) .
C1 C2 Fe1 C7 165.63(13) .
C11 C2 Fe1 C7 41.1(2) .
C3 C2 Fe1 C1 119.03(17) .
C11 C2 Fe1 C1 -124.5(2) .
C3 C2 Fe1 C6 -116.73(14) .
C1 C2 Fe1 C6 124.25(13) .
C11 C2 Fe1 C6 -0.3(2) .
C3 C2 Fe1 C10 -159.22(14) .
C1 C2 Fe1 C10 81.76(15) .
C11 C2 Fe1 C10 -42.8(2) .
C1 C2 Fe1 C3 -119.03(17) .
C11 C2 Fe1 C3 116.4(2) .
C8 Fe1 C6 C7 -37.86(17) .
C9 Fe1 C6 C7 -82.03(18) .
C5 Fe1 C6 C7 -157.6(3) .
C4 Fe1 C6 C7 44.6(3) .
C1 Fe1 C6 C7 165.83(15) .
C10 Fe1 C6 C7 -119.5(2) .
C3 Fe1 C6 C7 80.56(18) .
C2 Fe1 C6 C7 123.41(16) .
C8 Fe1 C6 C10 81.68(17) .
C9 Fe1 C6 C10 37.52(16) .
C5 Fe1 C6 C10 -38.0(4) .
C4 Fe1 C6 C10 164.2(2) .
C7 Fe1 C6 C10 119.5(2) .
C1 Fe1 C6 C10 -74.63(17) .
C3 Fe1 C6 C10 -159.89(14) .
C2 Fe1 C6 C10 -117.04(15) .
C10 C6 C7 C8 0.3(3) .
Fe1 C6 C7 C8 59.58(16) .
C10 C6 C7 Fe1 -59.29(16) .
C8 Fe1 C7 C6 119.0(2) .
C9 Fe1 C7 C6 81.04(18) .
C5 Fe1 C7 C6 165.1(2) .
C4 Fe1 C7 C6 -160.05(15) .
C1 Fe1 C7 C6 -42.3(4) .
C10 Fe1 C7 C6 37.45(16) .
C3 Fe1 C7 C6 -117.58(16) .
C2 Fe1 C7 C6 -76.14(19) .
C9 Fe1 C7 C8 -37.96(16) .
C5 Fe1 C7 C8 46.1(3) .
C4 Fe1 C7 C8 80.95(18) .
C1 Fe1 C7 C8 -161.3(3) .
C6 Fe1 C7 C8 -119.0(2) .
C10 Fe1 C7 C8 -81.55(17) .
C3 Fe1 C7 C8 123.42(16) .
C2 Fe1 C7 C8 164.86(15) .
C6 C7 C8 C9 -0.4(3) .
Fe1 C7 C8 C9 59.48(16) .
C6 C7 C8 Fe1 -59.89(16) .
C9 Fe1 C8 C7 119.0(2) .
C5 Fe1 C8 C7 -159.17(15) .
C4 Fe1 C8 C7 -116.53(16) .
C1 Fe1 C8 C7 167.07(19) .
C6 Fe1 C8 C7 37.60(16) .
C10 Fe1 C8 C7 81.32(17) .
C3 Fe1 C8 C7 -75.80(18) .
C2 Fe1 C8 C7 -43.8(4) .
C5 Fe1 C8 C9 81.88(16) .
C4 Fe1 C8 C9 124.51(15) .
C7 Fe1 C8 C9 -119.0(2) .
C1 Fe1 C8 C9 48.1(3) .
C6 Fe1 C8 C9 -81.36(17) .
C10 Fe1 C8 C9 -37.64(16) .
C3 Fe1 C8 C9 165.24(14) .
C2 Fe1 C8 C9 -162.7(3) .
C7 C8 C9 C10 0.4(3) .
Fe1 C8 C9 C10 59.96(16) .
C7 C8 C9 Fe1 -59.58(16) .
C8 Fe1 C9 C10 -118.9(2) .
C5 Fe1 C9 C10 125.40(16) .
C4 Fe1 C9 C10 166.79(15) .
C7 Fe1 C9 C10 -81.13(18) .
C1 Fe1 C9 C10 82.36(18) .
C6 Fe1 C9 C10 -37.58(16) .
C3 Fe1 C9 C10 -161.5(3) .
C2 Fe1 C9 C10 48.2(3) .
C5 Fe1 C9 C8 -115.71(15) .
C4 Fe1 C9 C8 -74.32(18) .
C7 Fe1 C9 C8 37.76(15) .
C1 Fe1 C9 C8 -158.75(14) .
C6 Fe1 C9 C8 81.30(17) .
C10 Fe1 C9 C8 118.9(2) .
C3 Fe1 C9 C8 -42.6(4) .
C2 Fe1 C9 C8 167.1(2) .
C8 C9 C10 C6 -0.2(3) .
Fe1 C9 C10 C6 59.39(16) .
C8 C9 C10 Fe1 -59.60(16) .
C7 C6 C10 C9 -0.1(3) .
Fe1 C6 C10 C9 -59.21(16) .
C7 C6 C10 Fe1 59.15(16) .
C8 Fe1 C10 C9 38.06(17) .
C5 Fe1 C10 C9 -73.36(18) .
C4 Fe1 C10 C9 -38.3(4) .
C7 Fe1 C10 C9 81.95(18) .
C1 Fe1 C10 C9 -115.76(16) .
C6 Fe1 C10 C9 119.3(2) .
C3 Fe1 C10 C9 166.0(2) .
C2 Fe1 C10 C9 -159.11(15) .
C8 Fe1 C10 C6 -81.23(16) .
C9 Fe1 C10 C6 -119.3(2) .
C5 Fe1 C10 C6 167.36(14) .
C4 Fe1 C10 C6 -157.6(3) .
C7 Fe1 C10 C6 -37.34(15) .
C1 Fe1 C10 C6 124.95(15) .
C3 Fe1 C10 C6 46.7(3) .
C2 Fe1 C10 C6 81.60(17) .
C3 C2 C11 C12 -53.3(3) .
C1 C2 C11 C12 117.5(2) .
Fe1 C2 C11 C12 -145.12(17) .
C3 C2 C11 C16 127.5(2) .
C1 C2 C11 C16 -61.8(3) .
Fe1 C2 C11 C16 35.6(3) .
C16 C11 C12 C13 1.0(3) .
C2 C11 C12 C13 -178.30(18) .
C11 C12 C13 C14 -2.3(3) .
C11 C12 C13 C17 178.18(19) .
C12 C13 C14 C15 1.7(3) .
C17 C13 C14 C15 -178.8(2) .
C13 C14 C15 C16 0.3(3) .
C13 C14 C15 C18 -178.6(2) .
C14 C15 C16 C11 -1.7(3) .
C18 C15 C16 C11 177.2(2) .
C12 C11 C16 C15 1.1(3) .
C2 C11 C16 C15 -179.67(19) .
C4 C5 C19 C20 117.1(2) .
C1 C5 C19 C20 -52.3(3) .
Fe1 C5 C19 C20 -148.04(18) .
C4 C5 C19 C24 -57.1(3) .
C1 C5 C19 C24 133.5(2) .
Fe1 C5 C19 C24 37.8(3) .
C24 C19 C20 C21 2.5(3) .
C5 C19 C20 C21 -171.93(19) .
C19 C20 C21 C22 -1.2(3) .
C19 C20 C21 C25 175.7(2) .
C20 C21 C22 C23 -1.3(4) .
C25 C21 C22 C23 -178.2(2) .
C21 C22 C23 C24 2.5(4) .
C21 C22 C23 C26 -179.0(3) .
C22 C23 C24 C19 -1.1(4) .
C26 C23 C24 C19 -179.7(3) .
C20 C19 C24 C23 -1.3(3) .
C5 C19 C24 C23 172.9(2) .
P1 P2 C27 C31 142.21(15) .
P1 P2 C27 C28 -47.7(2) .
P1 P2 C27 Fe2 -135.94(9) .
C31 C27 C28 C29 0.4(2) .
P2 C27 C28 C29 -170.67(16) .
Fe2 C27 C28 C29 -59.25(14) .
C31 C27 C28 C37 -173.2(2) .
P2 C27 C28 C37 15.8(3) .
Fe2 C27 C28 C37 127.2(2) .
C31 C27 C28 Fe2 59.61(13) .
P2 C27 C28 Fe2 -111.42(18) .
C27 C28 C29 C30 0.4(2) .
C37 C28 C29 C30 174.41(19) .
Fe2 C28 C29 C30 -58.32(15) .
C27 C28 C29 Fe2 58.69(14) .
C37 C28 C29 Fe2 -127.27(19) .
C28 C29 C30 C31 -1.0(2) .
Fe2 C29 C30 C31 -59.37(14) .
C28 C29 C30 Fe2 58.40(15) .
C29 C30 C31 C27 1.2(2) .
Fe2 C30 C31 C27 -58.39(13) .
C29 C30 C31 C45 -173.79(19) .
Fe2 C30 C31 C45 126.64(19) .
C29 C30 C31 Fe2 59.57(15) .
C28 C27 C31 C30 -0.9(2) .
P2 C27 C31 C30 171.41(14) .
Fe2 C27 C31 C30 58.76(14) .
C28 C27 C31 C45 173.92(18) .
P2 C27 C31 C45 -13.7(3) .
Fe2 C27 C31 C45 -126.4(2) .
C28 C27 C31 Fe2 -59.70(13) .
P2 C27 C31 Fe2 112.66(14) .
C31 C27 Fe2 C36 81.93(13) .
C28 C27 Fe2 C36 -159.73(12) .
P2 C27 Fe2 C36 -31.73(15) .
C31 C27 Fe2 C32 124.54(12) .
C28 C27 Fe2 C32 -117.12(13) .
P2 C27 Fe2 C32 10.88(14) .
C28 C27 Fe2 C31 118.34(16) .
P2 C27 Fe2 C31 -113.66(16) .
C31 C27 Fe2 C30 -37.17(11) .
C28 C27 Fe2 C30 81.17(12) .
P2 C27 Fe2 C30 -150.83(13) .
C31 C27 Fe2 C33 164.97(13) .
C28 C27 Fe2 C33 -76.69(15) .
P2 C27 Fe2 C33 51.31(16) .
C31 C27 Fe2 C35 50.1(2) .
C28 C27 Fe2 C35 168.39(19) .
P2 C27 Fe2 C35 -63.6(2) .
C31 C27 Fe2 C29 -80.69(12) .
C28 C27 Fe2 C29 37.65(11) .
P2 C27 Fe2 C29 165.65(13) .
C31 C27 Fe2 C28 -118.34(16) .
P2 C27 Fe2 C28 128.00(17) .
C31 C27 Fe2 C34 -166.1(3) .
C28 C27 Fe2 C34 -47.8(4) .
P2 C27 Fe2 C34 80.2(4) .
C30 C31 Fe2 C36 124.54(13) .
C27 C31 Fe2 C36 -115.47(12) .
C45 C31 Fe2 C36 5.5(2) .
C30 C31 Fe2 C32 165.35(13) .
C27 C31 Fe2 C32 -74.66(14) .
C45 C31 Fe2 C32 46.3(2) .
C30 C31 Fe2 C27 -119.99(16) .
C45 C31 Fe2 C27 120.9(2) .
C27 C31 Fe2 C30 119.99(16) .
C45 C31 Fe2 C30 -119.1(2) .
C30 C31 Fe2 C33 -166.7(3) .
C27 C31 Fe2 C33 -46.7(3) .
C45 C31 Fe2 C33 74.2(4) .
C30 C31 Fe2 C35 82.62(14) .
C27 C31 Fe2 C35 -157.39(13) .
C45 C31 Fe2 C35 -36.5(2) .
C30 C31 Fe2 C29 -37.64(12) .
C27 C31 Fe2 C29 82.35(12) .
C45 C31 Fe2 C29 -156.7(2) .
C30 C31 Fe2 C28 -81.36(12) .
C27 C31 Fe2 C28 38.63(11) .
C45 C31 Fe2 C28 159.6(2) .
C30 C31 Fe2 C34 50.9(3) .
C27 C31 Fe2 C34 170.9(2) .
C45 C31 Fe2 C34 -68.2(3) .
C29 C30 Fe2 C36 166.91(13) .
C31 C30 Fe2 C36 -73.91(15) .
C29 C30 Fe2 C32 -162.0(3) .
C31 C30 Fe2 C32 -42.8(3) .
C29 C30 Fe2 C27 -81.40(13) .
C31 C30 Fe2 C27 37.78(11) .
C29 C30 Fe2 C31 -119.18(17) .
C29 C30 Fe2 C33 51.7(3) .
C31 C30 Fe2 C33 170.9(2) .
C29 C30 Fe2 C35 125.85(14) .
C31 C30 Fe2 C35 -114.97(13) .
C31 C30 Fe2 C29 119.18(17) .
C29 C30 Fe2 C28 -36.75(12) .
C31 C30 Fe2 C28 82.43(12) .
C29 C30 Fe2 C34 83.69(15) .
C31 C30 Fe2 C34 -157.13(13) .
C30 C29 Fe2 C36 -37.9(3) .
C28 C29 Fe2 C36 -158.9(3) .
C30 C29 Fe2 C32 166.7(2) .
C28 C29 Fe2 C32 45.7(3) .
C30 C29 Fe2 C27 82.50(13) .
C28 C29 Fe2 C27 -38.49(11) .
C30 C29 Fe2 C31 37.84(12) .
C28 C29 Fe2 C31 -83.16(12) .
C28 C29 Fe2 C30 -121.00(17) .
C30 C29 Fe2 C33 -157.39(13) .
C28 C29 Fe2 C33 81.61(14) .
C30 C29 Fe2 C35 -73.27(15) .
C28 C29 Fe2 C35 165.73(12) .
C30 C29 Fe2 C28 121.00(17) .
C30 C29 Fe2 C34 -115.00(13) .
C28 C29 Fe2 C34 124.00(13) .
C29 C28 Fe2 C36 164.99(19) .
C27 C28 Fe2 C36 46.1(2) .
C37 C28 Fe2 C36 -78.2(3) .
C29 C28 Fe2 C32 -160.11(13) .
C27 C28 Fe2 C32 80.97(14) .
C37 C28 Fe2 C32 -43.3(2) .
C29 C28 Fe2 C27 118.93(16) .
C37 C28 Fe2 C27 -124.3(2) .
C29 C28 Fe2 C31 80.41(12) .
C27 C28 Fe2 C31 -38.51(11) .
C37 C28 Fe2 C31 -162.8(2) .
C29 C28 Fe2 C30 36.66(12) .
C27 C28 Fe2 C30 -82.27(12) .
C37 C28 Fe2 C30 153.4(2) .
C29 C28 Fe2 C33 -117.23(13) .
C27 C28 Fe2 C33 123.84(13) .
C37 C28 Fe2 C33 -0.5(2) .
C29 C28 Fe2 C35 -43.4(3) .
C27 C28 Fe2 C35 -162.3(3) .
C37 C28 Fe2 C35 73.4(4) .
C27 C28 Fe2 C29 -118.93(16) .
C37 C28 Fe2 C29 116.8(2) .
C29 C28 Fe2 C34 -76.25(15) .
C27 C28 Fe2 C34 164.82(13) .
C37 C28 Fe2 C34 40.5(2) .
C36 Fe2 C32 C33 -118.6(2) .
C27 Fe2 C32 C33 126.17(14) .
C31 Fe2 C32 C33 168.00(13) .
C30 Fe2 C32 C33 -159.2(3) .
C35 Fe2 C32 C33 -80.84(15) .
C29 Fe2 C32 C33 50.2(3) .
C28 Fe2 C32 C33 82.96(15) .
C34 Fe2 C32 C33 -37.08(14) .
C27 Fe2 C32 C36 -115.19(14) .
C31 Fe2 C32 C36 -73.36(17) .
C30 Fe2 C32 C36 -40.5(4) .
C33 Fe2 C32 C36 118.6(2) .
C35 Fe2 C32 C36 37.79(15) .
C29 Fe2 C32 C36 168.9(2) .
C28 Fe2 C32 C36 -158.41(13) .
C34 Fe2 C32 C36 81.55(16) .
C36 C32 C33 C34 0.0(3) .
Fe2 C32 C33 C34 59.46(17) .
C36 C32 C33 Fe2 -59.43(15) .
C36 Fe2 C33 C34 -81.56(17) .
C32 Fe2 C33 C34 -119.8(2) .
C27 Fe2 C33 C34 167.62(15) .
C31 Fe2 C33 C34 -155.9(3) .
C30 Fe2 C33 C34 45.2(3) .
C35 Fe2 C33 C34 -37.77(16) .
C29 Fe2 C33 C34 81.94(17) .
C28 Fe2 C33 C34 124.72(16) .
C36 Fe2 C33 C32 38.20(14) .
C27 Fe2 C33 C32 -72.61(16) .
C31 Fe2 C33 C32 -36.1(4) .
C30 Fe2 C33 C32 164.97(19) .
C35 Fe2 C33 C32 81.99(15) .
C29 Fe2 C33 C32 -158.30(13) .
C28 Fe2 C33 C32 -115.52(14) .
C34 Fe2 C33 C32 119.8(2) .
C32 C33 C34 C35 0.4(3) .
Fe2 C33 C34 C35 59.31(17) .
C32 C33 C34 Fe2 -58.95(16) .
C36 Fe2 C34 C33 81.69(17) .
C32 Fe2 C34 C33 37.49(16) .
C27 Fe2 C34 C33 -37.4(4) .
C31 Fe2 C34 C33 164.15(19) .
C30 Fe2 C34 C33 -159.90(15) .
C35 Fe2 C34 C33 119.1(2) .
C29 Fe2 C34 C33 -116.85(16) .
C28 Fe2 C34 C33 -74.90(19) .
C36 Fe2 C34 C35 -37.44(15) .
C32 Fe2 C34 C35 -81.64(16) .
C27 Fe2 C34 C35 -156.5(3) .
C31 Fe2 C34 C35 45.0(3) .
C30 Fe2 C34 C35 80.97(17) .
C33 Fe2 C34 C35 -119.1(2) .
C29 Fe2 C34 C35 124.01(15) .
C28 Fe2 C34 C35 165.97(14) .
C33 C34 C35 C36 -0.6(3) .
Fe2 C34 C35 C36 58.76(16) .
C33 C34 C35 Fe2 -59.37(17) .
C32 Fe2 C35 C36 -38.16(14) .
C27 Fe2 C35 C36 45.4(3) .
C31 Fe2 C35 C36 80.94(15) .
C30 Fe2 C35 C36 123.64(13) .
C33 Fe2 C35 C36 -82.10(15) .
C29 Fe2 C35 C36 164.33(13) .
C28 Fe2 C35 C36 -162.0(3) .
C34 Fe2 C35 C36 -119.6(2) .
C36 Fe2 C35 C34 119.6(2) .
C32 Fe2 C35 C34 81.40(16) .
C27 Fe2 C35 C34 164.94(19) .
C31 Fe2 C35 C34 -159.50(14) .
C30 Fe2 C35 C34 -116.80(15) .
C33 Fe2 C35 C34 37.46(16) .
C29 Fe2 C35 C34 -76.11(17) .
C28 Fe2 C35 C34 -42.5(4) .
C34 C35 C36 C32 0.6(3) .
Fe2 C35 C36 C32 59.91(15) .
C34 C35 C36 Fe2 -59.28(16) .
C33 C32 C36 C35 -0.4(3) .
Fe2 C32 C36 C35 -60.30(16) .
C33 C32 C36 Fe2 59.89(16) .
C32 Fe2 C36 C35 118.8(2) .
C27 Fe2 C36 C35 -159.13(13) .
C31 Fe2 C36 C35 -116.02(14) .
C30 Fe2 C36 C35 -75.17(16) .
C33 Fe2 C36 C35 80.81(15) .
C29 Fe2 C36 C35 -46.1(4) .
C28 Fe2 C36 C35 167.74(18) .
C34 Fe2 C36 C35 37.45(14) .
C27 Fe2 C36 C32 82.11(16) .
C31 Fe2 C36 C32 125.23(14) .
C30 Fe2 C36 C32 166.08(13) .
C33 Fe2 C36 C32 -37.94(15) .
C35 Fe2 C36 C32 -118.8(2) .
C29 Fe2 C36 C32 -164.9(3) .
C28 Fe2 C36 C32 49.0(3) .
C34 Fe2 C36 C32 -81.30(16) .
C29 C28 C37 C42 -50.5(3) .
C27 C28 C37 C42 122.1(2) .
Fe2 C28 C37 C42 -142.01(18) .
C29 C28 C37 C38 129.9(2) .
C27 C28 C37 C38 -57.5(3) .
Fe2 C28 C37 C38 38.4(3) .
C42 C37 C38 C39 0.2(3) .
C28 C37 C38 C39 179.75(19) .
C37 C38 C39 C40 -0.4(3) .
C37 C38 C39 C43 179.2(2) .
C38 C39 C40 C41 0.8(3) .
C43 C39 C40 C41 -178.7(2) .
C39 C40 C41 C42 -1.0(3) .
C39 C40 C41 C44 178.9(2) .
C38 C37 C42 C41 -0.4(3) .
C28 C37 C42 C41 180.0(2) .
C40 C41 C42 C37 0.8(3) .
C44 C41 C42 C37 -179.1(2) .
C30 C31 C45 C46 129.1(2) .
C27 C31 C45 C46 -44.9(3) .
Fe2 C31 C45 C46 -138.26(17) .
C30 C31 C45 C50 -45.8(3) .
C27 C31 C45 C50 140.1(2) .
Fe2 C31 C45 C50 46.8(3) .
C50 C45 C46 C47 -0.5(3) .
C31 C45 C46 C47 -175.56(18) .
C45 C46 C47 C48 0.1(3) .
C45 C46 C47 C51 -179.90(19) .
C46 C47 C48 C49 0.2(3) .
C51 C47 C48 C49 -179.84(19) .
C47 C48 C49 C50 0.0(3) .
C47 C48 C49 C52 -179.1(2) .
C48 C49 C50 C45 -0.4(3) .
C52 C49 C50 C45 178.67(19) .
C46 C45 C50 C49 0.6(3) .
C31 C45 C50 C49 175.61(18) .
C53 P3 P4 C79 179.50(9) .
P4 P3 C53 C57 -49.0(2) .
P4 P3 C53 C54 139.27(15) .
P4 P3 C53 Fe3 -137.87(9) .
C57 C53 C54 C55 -0.9(2) .
P3 C53 C54 C55 172.66(14) .
Fe3 C53 C54 C55 58.85(14) .
C57 C53 C54 C63 172.76(19) .
P3 C53 C54 C63 -13.7(3) .
Fe3 C53 C54 C63 -127.5(2) .
C57 C53 C54 Fe3 -59.74(13) .
P3 C53 C54 Fe3 113.81(14) .
C53 C54 C55 C56 1.1(2) .
C63 C54 C55 C56 -172.81(18) .
Fe3 C54 C55 C56 59.67(14) .
C53 C54 C55 Fe3 -58.58(13) .
C63 C54 C55 Fe3 127.52(19) .
C54 C55 C56 C57 -0.9(2) .
Fe3 C55 C56 C57 58.60(14) .
C54 C55 C56 Fe3 -59.48(14) .
C55 C56 C57 C53 0.3(2) .
Fe3 C56 C57 C53 58.69(14) .
C55 C56 C57 C71 175.17(19) .
Fe3 C56 C57 C71 -126.5(2) .
C55 C56 C57 Fe3 -58.37(14) .
C54 C53 C57 C56 0.3(2) .
P3 C53 C57 C56 -172.26(16) .
Fe3 C53 C57 C56 -59.19(14) .
C54 C53 C57 C71 -174.0(2) .
P3 C53 C57 C71 13.4(3) .
Fe3 C53 C57 C71 126.4(2) .
C54 C53 C57 Fe3 59.54(13) .
P3 C53 C57 Fe3 -113.07(18) .
C56 C55 Fe3 C59 168.94(13) .
C54 C55 Fe3 C59 -71.68(15) .
C56 C55 Fe3 C58 -162.0(3) .
C54 C55 Fe3 C58 -42.7(4) .
C56 C55 Fe3 C60 128.43(13) .
C54 C55 Fe3 C60 -112.20(13) .
C56 C55 Fe3 C53 -81.39(13) .
C54 C55 Fe3 C53 37.98(11) .
C56 C55 Fe3 C54 -119.38(17) .
C56 C55 Fe3 C61 86.09(14) .
C54 C55 Fe3 C61 -154.53(12) .
C56 C55 Fe3 C62 53.9(2) .
C54 C55 Fe3 C62 173.30(18) .
C54 C55 Fe3 C56 119.38(17) .
C56 C55 Fe3 C57 -36.81(12) .
C54 C55 Fe3 C57 82.56(12) .
C57 C53 Fe3 C59 -158.88(12) .
C54 C53 Fe3 C59 83.05(14) .
P3 C53 Fe3 C59 -31.77(15) .
C57 C53 Fe3 C58 -115.94(13) .
C54 C53 Fe3 C58 125.99(13) .
P3 C53 Fe3 C58 11.16(14) .
C57 C53 Fe3 C60 167.56(17) .
C54 C53 Fe3 C60 49.5(2) .
P3 C53 Fe3 C60 -65.3(2) .
C57 C53 Fe3 C55 80.92(12) .
C54 C53 Fe3 C55 -37.15(11) .
P3 C53 Fe3 C55 -151.98(14) .
C57 C53 Fe3 C54 118.07(16) .
P3 C53 Fe3 C54 -114.83(17) .
C57 C53 Fe3 C61 -46.7(4) .
C54 C53 Fe3 C61 -164.8(3) .
P3 C53 Fe3 C61 80.4(4) .
C57 C53 Fe3 C62 -75.75(15) .
C54 C53 Fe3 C62 166.18(13) .
P3 C53 Fe3 C62 51.35(16) .
C57 C53 Fe3 C56 37.39(12) .
C54 C53 Fe3 C56 -80.68(12) .
P3 C53 Fe3 C56 164.49(14) .
C54 C53 Fe3 C57 -118.07(16) .
P3 C53 Fe3 C57 127.10(17) .
C55 C54 Fe3 C59 126.51(13) .
C53 C54 Fe3 C59 -113.69(13) .
C63 C54 Fe3 C59 8.5(2) .
C55 C54 Fe3 C58 166.32(13) .
C53 C54 Fe3 C58 -73.87(15) .
C63 C54 Fe3 C58 48.3(2) .
C55 C54 Fe3 C60 84.21(14) .
C53 C54 Fe3 C60 -155.99(12) .
C63 C54 Fe3 C60 -33.8(2) .
C53 C54 Fe3 C55 119.80(16) .
C63 C54 Fe3 C55 -118.1(2) .
C55 C54 Fe3 C53 -119.80(16) .
C63 C54 Fe3 C53 122.1(2) .
C55 C54 Fe3 C61 52.6(2) .
C53 C54 Fe3 C61 172.38(18) .
C63 C54 Fe3 C61 -65.5(3) .
C55 C54 Fe3 C62 -168.1(3) .
C53 C54 Fe3 C62 -48.3(4) .
C63 C54 Fe3 C62 73.8(4) .
C55 C54 Fe3 C56 -37.55(12) .
C53 C54 Fe3 C56 82.25(12) .
C63 C54 Fe3 C56 -155.6(2) .
C55 C54 Fe3 C57 -81.13(12) .
C53 C54 Fe3 C57 38.68(12) .
C63 C54 Fe3 C57 160.8(2) .
C55 C56 Fe3 C59 -34.2(4) .
C57 C56 Fe3 C59 -154.9(3) .
C55 C56 Fe3 C58 168.38(19) .
C57 C56 Fe3 C58 47.7(3) .
C55 C56 Fe3 C60 -70.34(15) .
C57 C56 Fe3 C60 168.96(12) .
C57 C56 Fe3 C55 -120.70(17) .
C55 C56 Fe3 C53 82.42(13) .
C57 C56 Fe3 C53 -38.27(12) .
C55 C56 Fe3 C54 37.63(12) .
C57 C56 Fe3 C54 -83.07(12) .
C55 C56 Fe3 C61 -112.20(13) .
C57 C56 Fe3 C61 127.10(13) .
C55 C56 Fe3 C62 -155.27(13) .
C57 C56 Fe3 C62 84.04(14) .
C55 C56 Fe3 C57 120.70(17) .
C56 C57 Fe3 C59 164.74(19) .
C53 C57 Fe3 C59 45.5(2) .
C71 C57 Fe3 C59 -79.2(3) .
C56 C57 Fe3 C58 -158.49(13) .
C53 C57 Fe3 C58 82.25(14) .
C71 C57 Fe3 C58 -42.4(2) .
C56 C57 Fe3 C60 -36.9(4) .
C53 C57 Fe3 C60 -156.1(3) .
C71 C57 Fe3 C60 79.2(4) .
C56 C57 Fe3 C55 36.85(12) .
C53 C57 Fe3 C55 -82.40(12) .
C71 C57 Fe3 C55 152.9(2) .
C56 C57 Fe3 C53 119.26(17) .
C71 C57 Fe3 C53 -124.7(3) .
C56 C57 Fe3 C54 80.50(13) .
C53 C57 Fe3 C54 -38.75(11) .
C71 C57 Fe3 C54 -163.4(2) .
C56 C57 Fe3 C61 -73.59(15) .
C53 C57 Fe3 C61 167.16(12) .
C71 C57 Fe3 C61 42.5(2) .
C56 C57 Fe3 C62 -115.01(13) .
C53 C57 Fe3 C62 125.73(12) .
C71 C57 Fe3 C62 1.1(2) .
C53 C57 Fe3 C56 -119.26(17) .
C71 C57 Fe3 C56 116.1(2) .
C60 Fe3 C58 C59 37.72(14) .
C55 Fe3 C58 C59 -37.2(4) .
C53 Fe3 C58 C59 -112.33(14) .
C54 Fe3 C58 C59 -70.46(16) .
C61 Fe3 C58 C59 81.64(15) .
C62 Fe3 C58 C59 119.2(2) .
C56 Fe3 C58 C59 170.61(19) .
C57 Fe3 C58 C59 -155.75(13) .
C59 Fe3 C58 C62 -119.2(2) .
C60 Fe3 C58 C62 -81.44(15) .
C55 Fe3 C58 C62 -156.4(3) .
C53 Fe3 C58 C62 128.51(14) .
C54 Fe3 C58 C62 170.38(13) .
C61 Fe3 C58 C62 -37.52(14) .
C56 Fe3 C58 C62 51.4(3) .
C57 Fe3 C58 C62 85.09(15) .
C62 C58 C59 C60 0.1(2) .
Fe3 C58 C59 C60 -59.55(15) .
C62 C58 C59 Fe3 59.63(16) .
C58 Fe3 C59 C60 119.2(2) .
C55 Fe3 C59 C60 -72.87(16) .
C53 Fe3 C59 C60 -156.10(13) .
C54 Fe3 C59 C60 -112.87(14) .
C61 Fe3 C59 C60 37.73(14) .
C62 Fe3 C59 C60 81.43(15) .
C56 Fe3 C59 C60 -46.2(4) .
C57 Fe3 C59 C60 171.73(17) .
C60 Fe3 C59 C58 -119.2(2) .
C55 Fe3 C59 C58 167.97(13) .
C53 Fe3 C59 C58 84.74(15) .
C54 Fe3 C59 C58 127.97(14) .
C61 Fe3 C59 C58 -81.43(15) .
C62 Fe3 C59 C58 -37.73(14) .
C56 Fe3 C59 C58 -165.4(3) .
C57 Fe3 C59 C58 52.6(3) .
C58 C59 C60 C61 -0.1(2) .
Fe3 C59 C60 C61 -59.58(15) .
C58 C59 C60 Fe3 59.50(15) .
C58 Fe3 C60 C59 -37.83(14) .
C55 Fe3 C60 C59 125.75(14) .
C53 Fe3 C60 C59 48.8(2) .
C54 Fe3 C60 C59 83.24(15) .
C61 Fe3 C60 C59 -119.2(2) .
C62 Fe3 C60 C59 -81.74(15) .
C56 Fe3 C60 C59 165.43(13) .
C57 Fe3 C60 C59 -165.3(3) .
C59 Fe3 C60 C61 119.2(2) .
C58 Fe3 C60 C61 81.39(15) .
C55 Fe3 C60 C61 -115.03(14) .
C53 Fe3 C60 C61 168.03(17) .
C54 Fe3 C60 C61 -157.54(13) .
C62 Fe3 C60 C61 37.48(14) .
C56 Fe3 C60 C61 -75.35(16) .
C57 Fe3 C60 C61 -46.1(4) .
C59 C60 C61 C62 0.0(2) .
Fe3 C60 C61 C62 -59.24(15) .
C59 C60 C61 Fe3 59.29(15) .
C59 Fe3 C61 C62 81.72(15) .
C58 Fe3 C61 C62 37.68(15) .
C60 Fe3 C61 C62 119.4(2) .
C55 Fe3 C61 C62 -158.59(14) .
C53 Fe3 C61 C62 -36.2(4) .
C54 Fe3 C61 C62 165.29(17) .
C56 Fe3 C61 C62 -115.28(15) .
C57 Fe3 C61 C62 -74.06(17) .
C59 Fe3 C61 C60 -37.71(14) .
C58 Fe3 C61 C60 -81.75(15) .
C55 Fe3 C61 C60 81.98(15) .
C53 Fe3 C61 C60 -155.6(3) .
C54 Fe3 C61 C60 45.9(3) .
C62 Fe3 C61 C60 -119.4(2) .
C56 Fe3 C61 C60 125.29(14) .
C57 Fe3 C61 C60 166.51(13) .
C60 C61 C62 C58 0.0(3) .
Fe3 C61 C62 C58 -58.96(15) .
C60 C61 C62 Fe3 58.97(15) .
C59 C58 C62 C61 -0.1(3) .
Fe3 C58 C62 C61 59.23(15) .
C59 C58 C62 Fe3 -59.28(15) .
C59 Fe3 C62 C61 -81.54(15) .
C58 Fe3 C62 C61 -119.4(2) .
C60 Fe3 C62 C61 -37.65(14) .
C55 Fe3 C62 C61 46.0(3) .
C53 Fe3 C62 C61 169.67(13) .
C54 Fe3 C62 C61 -151.5(3) .
C56 Fe3 C62 C61 83.63(16) .
C57 Fe3 C62 C61 126.81(14) .
C59 Fe3 C62 C58 37.83(14) .
C60 Fe3 C62 C58 81.71(15) .
C55 Fe3 C62 C58 165.35(18) .
C53 Fe3 C62 C58 -70.96(17) .
C54 Fe3 C62 C58 -32.1(4) .
C61 Fe3 C62 C58 119.4(2) .
C56 Fe3 C62 C58 -157.00(13) .
C57 Fe3 C62 C58 -113.82(14) .
C55 C54 C63 C64 129.7(2) .
C53 C54 C63 C64 -43.0(3) .
Fe3 C54 C63 C64 -137.87(18) .
C55 C54 C63 C68 -44.9(3) .
C53 C54 C63 C68 142.4(2) .
Fe3 C54 C63 C68 47.5(3) .
C68 C63 C64 C65 -0.6(3) .
C54 C63 C64 C65 -175.38(18) .
C63 C64 C65 C66 0.9(3) .
C63 C64 C65 C69 -178.9(2) .
C64 C65 C66 C67 -0.6(3) .
C69 C65 C66 C67 179.1(2) .
C65 C66 C67 C68 0.1(3) .
C65 C66 C67 C70 -178.3(2) .
C66 C67 C68 C63 0.2(3) .
C70 C67 C68 C63 178.5(2) .
C64 C63 C68 C67 0.1(3) .
C54 C63 C68 C67 174.75(19) .
C56 C57 C71 C72 125.4(2) .
C53 C57 C71 C72 -60.9(3) .
Fe3 C57 C71 C72 34.8(3) .
C56 C57 C71 C76 -52.1(3) .
C53 C57 C71 C76 121.5(2) .
Fe3 C57 C71 C76 -142.78(19) .
C76 C71 C72 C73 0.9(3) .
C57 C71 C72 C73 -176.6(2) .
C71 C72 C73 C74 -1.7(3) .
C71 C72 C73 C77 175.3(2) .
C72 C73 C74 C75 1.4(4) .
C77 C73 C74 C75 -175.5(3) .
C73 C74 C75 C76 -0.4(4) .
C73 C74 C75 C78 178.1(3) .
C72 C71 C76 C75 0.2(3) .
C57 C71 C76 C75 177.8(2) .
C74 C75 C76 C71 -0.4(4) .
C78 C75 C76 C71 -179.0(3) .
P3 P4 C79 C83 143.01(14) .
P3 P4 C79 C80 -47.76(19) .
P3 P4 C79 Fe4 -135.54(9) .
C83 C79 C80 C81 -0.4(2) .
P4 C79 C80 C81 -170.66(15) .
Fe4 C79 C80 C81 -59.32(13) .
C83 C79 C80 C89 -173.52(19) .
P4 C79 C80 C89 16.2(3) .
Fe4 C79 C80 C89 127.6(2) .
C83 C79 C80 Fe4 58.92(13) .
P4 C79 C80 Fe4 -111.34(17) .
C79 C80 C81 C82 0.7(2) .
C89 C80 C81 C82 174.18(18) .
Fe4 C80 C81 C82 -58.31(14) .
C79 C80 C81 Fe4 58.96(13) .
C89 C80 C81 Fe4 -127.51(19) .
C80 C81 C82 C83 -0.7(2) .
Fe4 C81 C82 C83 -59.14(13) .
C80 C81 C82 Fe4 58.48(14) .
C81 C82 C83 C79 0.4(2) .
Fe4 C82 C83 C79 -59.02(13) .
C81 C82 C83 C97 -174.90(18) .
Fe4 C82 C83 C97 125.68(19) .
C81 C82 C83 Fe4 59.42(14) .
C80 C79 C83 C82 0.0(2) .
P4 C79 C83 C82 171.62(14) .
Fe4 C79 C83 C82 59.18(13) .
C80 C79 C83 C97 175.30(18) .
P4 C79 C83 C97 -13.1(3) .
Fe4 C79 C83 C97 -125.52(19) .
C80 C79 C83 Fe4 -59.18(13) .
P4 C79 C83 Fe4 112.44(14) .
C82 C83 Fe4 C87 129.25(12) .
C79 C83 Fe4 C87 -111.40(13) .
C97 C83 Fe4 C87 8.9(2) .
C79 C83 Fe4 C82 119.34(16) .
C97 C83 Fe4 C82 -120.3(2) .
C82 C83 Fe4 C88 168.68(12) .
C79 C83 Fe4 C88 -71.98(15) .
C97 C83 Fe4 C88 48.3(2) .
C82 C83 Fe4 C79 -119.34(16) .
C97 C83 Fe4 C79 120.3(2) .
C82 C83 Fe4 C86 86.87(14) .
C79 C83 Fe4 C86 -153.78(12) .
C97 C83 Fe4 C86 -33.5(2) .
C82 C83 Fe4 C85 54.2(2) .
C79 C83 Fe4 C85 173.51(16) .
C97 C83 Fe4 C85 -66.2(3) .
C82 C83 Fe4 C81 -37.43(12) .
C79 C83 Fe4 C81 81.91(12) .
C97 C83 Fe4 C81 -157.8(2) .
C82 C83 Fe4 C84 -166.8(4) .
C79 C83 Fe4 C84 -47.5(4) .
C97 C83 Fe4 C84 72.8(5) .
C82 C83 Fe4 C80 -81.12(12) .
C79 C83 Fe4 C80 38.23(12) .
C97 C83 Fe4 C80 158.5(2) .
C81 C82 Fe4 C87 170.42(12) .
C83 C82 Fe4 C87 -70.00(15) .
C81 C82 Fe4 C83 -119.58(16) .
C81 C82 Fe4 C88 -161.2(3) .
C83 C82 Fe4 C88 -41.6(4) .
C81 C82 Fe4 C79 -81.39(12) .
C83 C82 Fe4 C79 38.19(11) .
C81 C82 Fe4 C86 130.80(13) .
C83 C82 Fe4 C86 -109.62(13) .
C81 C82 Fe4 C85 88.00(14) .
C83 C82 Fe4 C85 -152.41(12) .
C83 C82 Fe4 C81 119.58(16) .
C81 C82 Fe4 C84 54.7(2) .
C83 C82 Fe4 C84 174.26(16) .
C81 C82 Fe4 C80 -36.86(12) .
C83 C82 Fe4 C80 82.73(12) .
C83 C79 Fe4 C87 85.50(13) .
C80 C79 Fe4 C87 -155.62(12) .
P4 C79 Fe4 C87 -28.26(15) .
C80 C79 Fe4 C83 118.87(16) .
P4 C79 Fe4 C83 -113.76(17) .
C83 C79 Fe4 C82 -37.54(12) .
C80 C79 Fe4 C82 81.33(12) .
P4 C79 Fe4 C82 -151.30(14) .
C83 C79 Fe4 C88 128.64(12) .
C80 C79 Fe4 C88 -112.49(13) .
P4 C79 Fe4 C88 14.88(14) .
C83 C79 Fe4 C86 51.5(2) .
C80 C79 Fe4 C86 170.34(16) .
P4 C79 Fe4 C86 -62.3(2) .
C83 C79 Fe4 C85 -163.5(4) .
C80 C79 Fe4 C85 -44.6(5) .
P4 C79 Fe4 C85 82.7(5) .
C83 C79 Fe4 C81 -81.14(12) .
C80 C79 Fe4 C81 37.73(12) .
P4 C79 Fe4 C81 165.10(14) .
C83 C79 Fe4 C84 168.29(12) .
C80 C79 Fe4 C84 -72.84(15) .
P4 C79 Fe4 C84 54.53(16) .
C83 C79 Fe4 C80 -118.87(16) .
P4 C79 Fe4 C80 127.37(17) .
C82 C81 Fe4 C87 -34.5(4) .
C80 C81 Fe4 C87 -155.4(3) .
C82 C81 Fe4 C83 37.63(11) .
C80 C81 Fe4 C83 -83.18(12) .
C80 C81 Fe4 C82 -120.81(17) .
C82 C81 Fe4 C88 170.95(17) .
C80 C81 Fe4 C88 50.1(2) .
C82 C81 Fe4 C79 82.38(12) .
C80 C81 Fe4 C79 -38.43(12) .
C82 C81 Fe4 C86 -68.75(15) .
C80 C81 Fe4 C86 170.44(12) .
C82 C81 Fe4 C85 -109.87(13) .
C80 C81 Fe4 C85 129.32(13) .
C82 C81 Fe4 C84 -153.18(12) .
C80 C81 Fe4 C84 86.01(14) .
C82 C81 Fe4 C80 120.81(17) .
C81 C80 Fe4 C87 168.50(17) .
C79 C80 Fe4 C87 49.6(2) .
C89 C80 Fe4 C87 -73.9(3) .
C81 C80 Fe4 C83 80.56(13) .
C79 C80 Fe4 C83 -38.31(11) .
C89 C80 Fe4 C83 -161.8(2) .
C81 C80 Fe4 C82 36.78(12) .
C79 C80 Fe4 C82 -82.09(12) .
C89 C80 Fe4 C82 154.4(2) .
C81 C80 Fe4 C88 -155.71(12) .
C79 C80 Fe4 C88 85.42(14) .
C89 C80 Fe4 C88 -38.1(2) .
C81 C80 Fe4 C79 118.87(17) .
C89 C80 Fe4 C79 -123.5(2) .
C81 C80 Fe4 C86 -37.4(5) .
C79 C80 Fe4 C86 -156.3(4) .
C89 C80 Fe4 C86 80.2(5) .
C81 C80 Fe4 C85 -71.78(16) .
C79 C80 Fe4 C85 169.36(13) .
C89 C80 Fe4 C85 45.8(2) .
C79 C80 Fe4 C81 -118.87(17) .
C89 C80 Fe4 C81 117.6(2) .
C81 C80 Fe4 C84 -112.39(13) .
C79 C80 Fe4 C84 128.74(12) .
C89 C80 Fe4 C84 5.2(2) .
C87 Fe4 C84 C88 37.91(13) .
C83 Fe4 C84 C88 -30.0(5) .
C82 Fe4 C84 C88 167.97(16) .
C79 Fe4 C84 C88 -69.26(16) .
C86 Fe4 C84 C88 81.48(14) .
C85 Fe4 C84 C88 119.20(19) .
C81 Fe4 C84 C88 -154.74(13) .
C80 Fe4 C84 C88 -111.27(14) .
C87 Fe4 C84 C85 -81.29(15) .
C83 Fe4 C84 C85 -149.2(4) .
C82 Fe4 C84 C85 48.8(2) .
C88 Fe4 C84 C85 -119.20(19) .
C79 Fe4 C84 C85 171.54(13) .
C86 Fe4 C84 C85 -37.72(14) .
C81 Fe4 C84 C85 86.06(15) .
C80 Fe4 C84 C85 129.53(14) .
C88 C84 C85 C86 0.1(2) .
Fe4 C84 C85 C86 59.32(15) .
C88 C84 C85 Fe4 -59.21(14) .
C87 Fe4 C85 C84 81.68(15) .
C83 Fe4 C85 C84 167.61(16) .
C82 Fe4 C85 C84 -155.80(13) .
C88 Fe4 C85 C84 37.66(14) .
C79 Fe4 C85 C84 -34.1(5) .
C86 Fe4 C85 C84 119.2(2) .
C81 Fe4 C85 C84 -112.30(14) .
C80 Fe4 C85 C84 -71.35(17) .
C87 Fe4 C85 C86 -37.57(14) .
C83 Fe4 C85 C86 48.4(2) .
C82 Fe4 C85 C86 84.95(15) .
C88 Fe4 C85 C86 -81.59(15) .
C79 Fe4 C85 C86 -153.4(4) .
C81 Fe4 C85 C86 128.45(14) .
C84 Fe4 C85 C86 -119.2(2) .
C80 Fe4 C85 C86 169.40(13) .
C84 C85 C86 C87 -0.2(2) .
Fe4 C85 C86 C87 59.28(15) .
C84 C85 C86 Fe4 -59.46(15) .
C83 Fe4 C86 C87 85.84(15) .
C82 Fe4 C86 C87 128.96(14) .
C88 Fe4 C86 C87 -37.70(14) .
C79 Fe4 C86 C87 50.7(2) .
C85 Fe4 C86 C87 -119.1(2) .
C81 Fe4 C86 C87 168.39(13) .
C84 Fe4 C86 C87 -81.47(15) .
C80 Fe4 C86 C87 -160.9(4) .
C87 Fe4 C86 C85 119.1(2) .
C83 Fe4 C86 C85 -155.08(13) .
C82 Fe4 C86 C85 -111.97(14) .
C88 Fe4 C86 C85 81.37(15) .
C79 Fe4 C86 C85 169.74(16) .
C81 Fe4 C86 C85 -72.54(17) .
C84 Fe4 C86 C85 37.60(14) .
C80 Fe4 C86 C85 -41.8(5) .
C85 C86 C87 C88 0.2(2) .
Fe4 C86 C87 C88 59.65(15) .
C85 C86 C87 Fe4 -59.45(15) .
C83 Fe4 C87 C86 -110.19(14) .
C82 Fe4 C87 C86 -70.27(16) .
C88 Fe4 C87 C86 119.43(19) .
C79 Fe4 C87 C86 -153.88(13) .
C85 Fe4 C87 C86 37.87(14) .
C81 Fe4 C87 C86 -42.4(4) .
C84 Fe4 C87 C86 81.68(15) .
C80 Fe4 C87 C86 171.76(16) .
C83 Fe4 C87 C88 130.39(13) .
C82 Fe4 C87 C88 170.30(12) .
C79 Fe4 C87 C88 86.69(14) .
C86 Fe4 C87 C88 -119.43(19) .
C85 Fe4 C87 C88 -81.56(14) .
C81 Fe4 C87 C88 -161.8(3) .
C84 Fe4 C87 C88 -37.74(13) .
C80 Fe4 C87 C88 52.3(2) .
C85 C84 C88 C87 0.0(2) .
Fe4 C84 C88 C87 -59.29(14) .
C85 C84 C88 Fe4 59.31(15) .
C86 C87 C88 C84 -0.1(2) .
Fe4 C87 C88 C84 59.68(14) .
C86 C87 C88 Fe4 -59.81(15) .
C87 Fe4 C88 C84 -118.97(19) .
C83 Fe4 C88 C84 172.20(12) .
C82 Fe4 C88 C84 -154.1(3) .
C79 Fe4 C88 C84 130.69(13) .
C86 Fe4 C88 C84 -81.60(14) .
C85 Fe4 C88 C84 -37.66(14) .
C81 Fe4 C88 C84 52.2(2) .
C80 Fe4 C88 C84 86.79(14) .
C83 Fe4 C88 C87 -68.83(16) .
C82 Fe4 C88 C87 -35.1(4) .
C79 Fe4 C88 C87 -110.34(13) .
C86 Fe4 C88 C87 37.36(13) .
C85 Fe4 C88 C87 81.30(14) .
C81 Fe4 C88 C87 171.21(16) .
C84 Fe4 C88 C87 118.97(19) .
C80 Fe4 C88 C87 -154.24(13) .
C81 C80 C89 C94 122.7(2) .
C79 C80 C89 C94 -65.2(3) .
Fe4 C80 C89 C94 30.6(3) .
C81 C80 C89 C90 -57.8(3) .
C79 C80 C89 C90 114.3(2) .
Fe4 C80 C89 C90 -149.95(17) .
C94 C89 C90 C91 1.3(3) .
C80 C89 C90 C91 -178.17(19) .
C89 C90 C91 C92 -2.1(3) .
C89 C90 C91 C95 178.1(2) .
C90 C91 C92 C93 0.8(3) .
C95 C91 C92 C93 -179.4(2) .
C91 C92 C93 C94 1.3(3) .
C91 C92 C93 C96 -177.6(2) .
C90 C89 C94 C93 0.8(3) .
C80 C89 C94 C93 -179.72(19) .
C92 C93 C94 C89 -2.1(3) .
C96 C93 C94 C89 176.8(2) .
C82 C83 C97 C102 -49.9(3) .
C79 C83 C97 C102 135.7(2) .
Fe4 C83 C97 C102 43.0(3) .
C82 C83 C97 C98 127.7(2) .
C79 C83 C97 C98 -46.8(3) .
Fe4 C83 C97 C98 -139.42(17) .
C102 C97 C98 C99 0.7(3) .
C83 C97 C98 C99 -176.90(19) .
C97 C98 C99 C100 -0.4(3) .
C97 C98 C99 C103 -179.0(2) .
C98 C99 C100 C101 -0.8(3) .
C103 C99 C100 C101 177.8(2) .
C99 C100 C101 C102 1.6(3) .
C99 C100 C101 C104 -176.3(2) .
C100 C101 C102 C97 -1.3(3) .
C104 C101 C102 C97 176.6(2) .
C98 C97 C102 C101 0.1(3) .
C83 C97 C102 C101 177.7(2) .
C105 C105 C106 C107 -178.2(3) 2_675
