#------------------------------------------------------------------------------
#$Date: 2016-03-24 02:15:46 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179565 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/34/4503494.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_4503494
loop_
_publ_author_name
'Liu, Yaru'
'Hou, Hongwei'
'Chen, Qianru'
'Fan, Yaoting'
_publ_section_title
;
 From Multifunctional Precursor to Novel Reaction Products:
 Oligimerization and Central Metal Ion Exchange Reaction of Ferrocenyl
 Carboxylate Complexes
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1435
_journal_paper_doi               10.1021/cg701221f
_journal_volume                  8
_journal_year                    2008
_chemical_formula_sum            'C226 H270 Cd10 Fe10 N10 O64'
_chemical_formula_weight         5833.02
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.5060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.2571(12)
_cell_length_b                   21.8732(10)
_cell_length_c                   26.4035(12)
_cell_measurement_temperature    291(2)
_cell_volume                     12937.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_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  0.1237
_diffrn_reflns_av_sigmaI/netI    0.1807
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            67891
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    1.418
_exptl_absorpt_correction_T_max  0.8688
_exptl_absorpt_correction_T_min  0.6596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5896
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.689
_refine_diff_density_min         -1.003
_refine_diff_density_rms         0.197
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1451
_refine_ls_number_reflns         23612
_refine_ls_number_restraints     1128
_refine_ls_restrained_S_all      4.200
_refine_ls_R_factor_all          0.2807
_refine_ls_R_factor_gt           0.1196
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.2000P)²+0.4417P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2902
_refine_ls_wR_factor_ref         0.3960
_reflns_number_gt                7467
_reflns_number_total             23612
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg701221f-file001.cif
_cod_data_source_block           b
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      p21/c
_cod_database_code               4503494
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Cd1 Cd 0.56731(14) 0.16295(18) 0.64549(17) 0.1006(14) Uani 1 1 d .
Cd2 Cd 0.67194(14) 0.08142(17) 0.66742(16) 0.0950(13) Uani 1 1 d .
Cd3 Cd 0.71147(13) -0.02842(17) 0.62355(15) 0.0910(12) Uani 1 1 d .
Cd4 Cd 0.67184(13) -0.12943(17) 0.53560(15) 0.0918(12) Uani 1 1 d .
Cd5 Cd 0.56500(14) -0.18059(17) 0.43215(17) 0.1004(14) Uani 1 1 d .
Fe1 Fe 0.5907(3) 0.3002(4) 0.8978(3) 0.118(3) Uani 1 1 d D
Fe2 Fe 0.8857(2) 0.3368(3) 0.7406(3) 0.094(2) Uani 1 1 d D
Fe3 Fe 0.96282(19) -0.1222(2) 0.8945(2) 0.0552(16) Uani 1 1 d D
Fe4 Fe 0.9080(2) -0.0960(3) 0.4566(2) 0.095(2) Uani 1 1 d D
Fe5 Fe 0.8451(2) -0.3972(3) 0.5693(3) 0.077(2) Uani 1 1 d D
O1 O 0.6181(7) 0.1016(9) 0.7008(6) 0.041(6) Uani 1 1 d DU
H1 H 0.5913 0.0662 0.6874 0.050 Uiso 1 1 calc R
O2 O 0.6057(7) 0.1224(8) 0.6056(7) 0.040(6) Uani 1 1 d DU
O3 O 0.6469(6) -0.0014(8) 0.6397(7) 0.038(5) Uani 1 1 d DU
O4 O 0.7204(6) 0.0623(9) 0.6282(8) 0.044(6) Uani 1 1 d DU
H4 H 0.6905 0.0722 0.5891 0.053 Uiso 1 1 calc R
O5 O 0.6955(7) -0.1171(8) 0.6163(7) 0.041(6) Uani 1 1 d DU
H5 H 0.6546 -0.1132 0.6109 0.049 Uiso 1 1 calc R
O6 O 0.6639(7) -0.0408(8) 0.5416(7) 0.036(5) Uani 1 1 d DU
O7 O 0.5864(6) -0.1493(9) 0.5070(7) 0.042(6) Uani 1 1 d DU
O8 O 0.6408(6) -0.1361(9) 0.4515(7) 0.043(6) Uani 1 1 d DU
H8 H 0.6244 -0.0947 0.4409 0.052 Uiso 1 1 calc R
O9 O 0.4876(7) -0.2192(7) 0.4168(9) 0.050(6) Uani 1 1 d DU
H9 H 0.4827 -0.2036 0.4492 0.060 Uiso 1 1 calc R
O10 O 0.5093(6) -0.1150(8) 0.3897(7) 0.039(6) Uani 1 1 d DU
O11 O 0.5401(8) 0.2034(11) 0.6982(9) 0.064(7) Uani 1 1 d U
O12 O 0.4419(8) 0.2171(11) 0.6408(9) 0.062(7) Uani 1 1 d U
O13 O 0.4317(11) 0.1549(11) 0.7467(6) 0.124(12) Uani 1 1 d DU
O14 O 0.6364(8) 0.2248(10) 0.6792(10) 0.068(8) Uani 1 1 d U
O15 O 0.7137(8) 0.1631(10) 0.6976(10) 0.060(7) Uani 1 1 d U
O16 O 0.7412(7) 0.3258(10) 0.8236(8) 0.136(15) Uani 1 1 d DU
O17 O 0.7362(8) 0.0457(10) 0.7419(8) 0.048(6) Uani 1 1 d U
O18 O 0.7669(8) -0.0334(10) 0.7083(8) 0.053(7) Uani 1 1 d U
O19 O 0.7457(9) -0.0351(8) 0.8428(9) 0.114(11) Uani 1 1 d DU
O20 O 0.7854(7) -0.0381(9) 0.6105(8) 0.043(6) Uani 1 1 d U
O21 O 0.7584(7) -0.1161(9) 0.5496(8) 0.044(6) Uani 1 1 d U
O22 O 0.9273(6) -0.0580(10) 0.6907(8) 0.108(13) Uani 1 1 d DU
O23 O 0.6916(8) -0.2193(10) 0.5456(9) 0.054(7) Uani 1 1 d U
O24 O 0.6109(8) -0.2592(9) 0.4695(10) 0.059(7) Uani 1 1 d U
O25 O 0.6449(7) -0.4238(12) 0.5655(9) 0.172(16) Uani 1 1 d DU
N1 N 0.4313(9) 0.2573(10) 0.7356(7) 0.072(9) Uani 1 1 d DU
H1N H 0.4114 0.2907 0.7303 0.087 Uiso 1 1 calc R
N2 N 0.7083(8) 0.3205(10) 0.7282(8) 0.079(11) Uani 1 1 d DU
H2N H 0.6898 0.3402 0.6967 0.094 Uiso 1 1 calc R
N3 N 0.8210(7) 0.0224(11) 0.8514(7) 0.061(9) Uani 1 1 d DU
H3N H 0.8470 0.0499 0.8705 0.073 Uiso 1 1 calc R
N4 N 0.8859(7) -0.0186(11) 0.6032(7) 0.044(7) Uani 1 1 d DU
H4N H 0.8862 0.0115 0.5823 0.053 Uiso 1 1 calc R
N5 N 0.6513(8) -0.3722(9) 0.4955(12) 0.095(12) Uani 1 1 d DU
H5N H 0.6413 -0.3717 0.4597 0.113 Uiso 1 1 calc R
C1 C 0.6339(15) 0.0992(19) 0.7589(9) 0.072(13) Uani 1 1 d DU
H1A H 0.6699 0.1221 0.7800 0.108 Uiso 1 1 calc R
H1B H 0.6402 0.0574 0.7715 0.108 Uiso 1 1 calc R
H1C H 0.6024 0.1165 0.7651 0.108 Uiso 1 1 calc R
C2 C 0.6168(15) 0.1581(17) 0.5682(13) 0.12(2) Uani 1 1 d DU
H2A H 0.6184 0.2003 0.5787 0.183 Uiso 1 1 calc R
H2B H 0.5854 0.1523 0.5301 0.183 Uiso 1 1 calc R
H2C H 0.6542 0.1464 0.5700 0.183 Uiso 1 1 calc R
C3 C 0.6236(14) -0.0405(17) 0.6658(15) 0.16(2) Uani 1 1 d DU
H3A H 0.6335 -0.0820 0.6617 0.233 Uiso 1 1 calc R
H3B H 0.5810 -0.0361 0.6481 0.233 Uiso 1 1 calc R
H3C H 0.6401 -0.0306 0.7056 0.233 Uiso 1 1 calc R
C4 C 0.7678(9) 0.0973(14) 0.6299(15) 0.068(12) Uani 1 1 d DU
H4A H 0.8048 0.0828 0.6601 0.101 Uiso 1 1 calc R
H4B H 0.7623 0.1394 0.6365 0.101 Uiso 1 1 calc R
H4C H 0.7689 0.0936 0.5941 0.101 Uiso 1 1 calc R
C5 C 0.713(2) -0.1610(13) 0.6598(12) 0.087(16) Uani 1 1 d DU
H5A H 0.7212 -0.1989 0.6468 0.130 Uiso 1 1 calc R
H5B H 0.6806 -0.1671 0.6693 0.130 Uiso 1 1 calc R
H5C H 0.7474 -0.1471 0.6929 0.130 Uiso 1 1 calc R
C6 C 0.654(3) -0.0015(17) 0.4966(13) 0.17(3) Uani 1 1 d DU
H6A H 0.6132 0.0125 0.4795 0.259 Uiso 1 1 calc R
H6B H 0.6610 -0.0229 0.4686 0.259 Uiso 1 1 calc R
H6C H 0.6803 0.0328 0.5107 0.259 Uiso 1 1 calc R
C7 C 0.5736(16) -0.179(2) 0.5465(12) 0.18(3) Uani 1 1 d DU
H7A H 0.5314 -0.1780 0.5338 0.275 Uiso 1 1 calc R
H7B H 0.5940 -0.1590 0.5828 0.275 Uiso 1 1 calc R
H7C H 0.5867 -0.2208 0.5501 0.275 Uiso 1 1 calc R
C8 C 0.6750(10) -0.137(2) 0.4221(10) 0.080(14) Uani 1 1 d DU
H8A H 0.7158 -0.1278 0.4480 0.119 Uiso 1 1 calc R
H8B H 0.6597 -0.1078 0.3918 0.119 Uiso 1 1 calc R
H8C H 0.6730 -0.1774 0.4064 0.119 Uiso 1 1 calc R
C9 C 0.4740(13) -0.2806(10) 0.4181(18) 0.075(13) Uani 1 1 d DU
H9A H 0.4316 -0.2854 0.4023 0.112 Uiso 1 1 calc R
H9B H 0.4929 -0.2949 0.4568 0.112 Uiso 1 1 calc R
H9C H 0.4882 -0.3039 0.3960 0.112 Uiso 1 1 calc R
C10 C 0.5240(12) -0.0716(14) 0.3595(12) 0.073(14) Uani 1 1 d DU
H10A H 0.4910 -0.0442 0.3403 0.109 Uiso 1 1 calc R
H10B H 0.5328 -0.0919 0.3320 0.109 Uiso 1 1 calc R
H10C H 0.5584 -0.0489 0.3856 0.109 Uiso 1 1 calc R
C11 C 0.4913(13) 0.2214(17) 0.6889(15) 0.066(10) Uani 1 1 d U
C12 C 0.4878(14) 0.2584(18) 0.7360(15) 0.064(10) Uani 1 1 d U
C13 C 0.5335(15) 0.2892(19) 0.7692(15) 0.071(11) Uani 1 1 d U
H13 H 0.5662 0.2859 0.7622 0.085 Uiso 1 1 calc R
C14 C 0.5419(7) 0.3293(5) 0.8173(6) 0.088(12) Uani 1 1 d DU
C15 C 0.5927(7) 0.3668(5) 0.8458(6) 0.105(14) Uani 1 1 d DU
H15 H 0.6243 0.3733 0.8346 0.126 Uiso 1 1 calc R
C16 C 0.5902(8) 0.3926(6) 0.8933(7) 0.115(16) Uani 1 1 d DU
H16 H 0.6200 0.4201 0.9214 0.138 Uiso 1 1 calc R
C17 C 0.5382(8) 0.3713(8) 0.8944(8) 0.095(13) Uani 1 1 d DU
H17 H 0.5253 0.3815 0.9232 0.114 Uiso 1 1 calc R
C18 C 0.5082(8) 0.3324(9) 0.8475(8) 0.084(12) Uani 1 1 d DU
H18 H 0.4707 0.3109 0.8376 0.100 Uiso 1 1 calc R
C19 C 0.6707(7) 0.2537(5) 0.9298(7) 0.32(3) Uani 1 1 d DU
H19 H 0.7055 0.2650 0.9247 0.380 Uiso 1 1 calc R
C20 C 0.6592(7) 0.2726(5) 0.9747(7) 0.34(3) Uani 1 1 d DU
H20 H 0.6845 0.2994 1.0064 0.407 Uiso 1 1 calc R
C21 C 0.6050(9) 0.2457(7) 0.9664(8) 0.32(3) Uani 1 1 d DU
H21 H 0.5862 0.2504 0.9914 0.386 Uiso 1 1 calc R
C22 C 0.5834(9) 0.2103(9) 0.9165(9) 0.31(3) Uani 1 1 d DU
H22 H 0.5466 0.1861 0.9005 0.375 Uiso 1 1 calc R
C23 C 0.6237(9) 0.2151(9) 0.8939(9) 0.31(3) Uani 1 1 d DU
H23 H 0.6200 0.1949 0.8593 0.370 Uiso 1 1 calc R
C24 C 0.4089(7) 0.2050(10) 0.7433(3) 0.110(13) Uani 1 1 d DU
C25 C 0.3525(7) 0.2119(4) 0.7478(4) 0.139(14) Uani 1 1 d DU
C26 C 0.3421(8) 0.1733(4) 0.7831(4) 0.166(19) Uani 1 1 d DU
H26 H 0.3719 0.1468 0.8073 0.200 Uiso 1 1 calc R
C27 C 0.2870(9) 0.1736(6) 0.7826(6) 0.174(19) Uani 1 1 d DU
H27 H 0.2796 0.1476 0.8065 0.209 Uiso 1 1 calc R
C28 C 0.2435(9) 0.2129(9) 0.7464(8) 0.162(17) Uani 1 1 d DU
H28 H 0.2063 0.2132 0.7458 0.194 Uiso 1 1 calc R
C29 C 0.2540(8) 0.2515(10) 0.7115(8) 0.164(18) Uani 1 1 d DU
H29 H 0.2242 0.2780 0.6873 0.196 Uiso 1 1 calc R
C30 C 0.3086(8) 0.2511(9) 0.7120(8) 0.153(17) Uani 1 1 d DU
H30 H 0.3159 0.2773 0.6882 0.184 Uiso 1 1 calc R
C31 C 0.6924(13) 0.2138(16) 0.7000(15) 0.060(10) Uani 1 1 d U
C32 C 0.7347(14) 0.2635(16) 0.7286(16) 0.065(10) Uani 1 1 d U
C33 C 0.7938(14) 0.2550(18) 0.7538(16) 0.073(12) Uani 1 1 d U
H33 H 0.8052 0.2148 0.7528 0.088 Uiso 1 1 calc R
C34 C 0.8434(5) 0.2968(9) 0.7823(3) 0.084(11) Uani 1 1 d DU
C35 C 0.8432(6) 0.3612(10) 0.7870(4) 0.118(15) Uani 1 1 d DU
H35 H 0.8077 0.3871 0.7736 0.141 Uiso 1 1 calc R
C36 C 0.9026(7) 0.3817(10) 0.8146(5) 0.138(19) Uani 1 1 d DU
H36 H 0.9157 0.4242 0.8239 0.166 Uiso 1 1 calc R
C37 C 0.9397(9) 0.3302(10) 0.8271(7) 0.137(19) Uani 1 1 d DU
H37 H 0.9834 0.3306 0.8463 0.164 Uiso 1 1 calc R
C38 C 0.9035(8) 0.2780(10) 0.8074(7) 0.107(15) Uani 1 1 d DU
H38 H 0.9176 0.2358 0.8104 0.128 Uiso 1 1 calc R
C39 C 0.9062(6) 0.3897(10) 0.6864(3) 0.162(18) Uani 1 1 d DU
H39 H 0.9229 0.4311 0.6939 0.194 Uiso 1 1 calc R
C40 C 0.9385(6) 0.3346(10) 0.7006(4) 0.156(17) Uani 1 1 d DU
H40 H 0.9821 0.3310 0.7196 0.187 Uiso 1 1 calc R
C41 C 0.8981(7) 0.2861(11) 0.6823(5) 0.17(2) Uani 1 1 d DU
H41 H 0.9084 0.2426 0.6858 0.205 Uiso 1 1 calc R
C42 C 0.8402(9) 0.3104(10) 0.6566(7) 0.158(18) Uani 1 1 d DU
H42 H 0.8029 0.2870 0.6391 0.190 Uiso 1 1 calc R
C43 C 0.8455(9) 0.3741(11) 0.6593(7) 0.17(2) Uani 1 1 d DU
H43 H 0.8122 0.4032 0.6448 0.205 Uiso 1 1 calc R
C44 C 0.7113(4) 0.3436(6) 0.7748(7) 0.090(13) Uani 1 1 d DU
C45 C 0.6743(3) 0.3980(5) 0.7681(4) 0.099(13) Uani 1 1 d DU
C46 C 0.7061(3) 0.4329(6) 0.8167(4) 0.16(2) Uani 1 1 d DU
H46 H 0.7421 0.4213 0.8472 0.198 Uiso 1 1 calc R
C47 C 0.6768(5) 0.4878(9) 0.8134(6) 0.19(2) Uani 1 1 d DU
H47 H 0.6947 0.5145 0.8441 0.226 Uiso 1 1 calc R
C48 C 0.6238(8) 0.5056(10) 0.7687(8) 0.150(19) Uani 1 1 d DU
H48 H 0.6070 0.5432 0.7697 0.180 Uiso 1 1 calc R
C49 C 0.5953(9) 0.4675(9) 0.7222(8) 0.141(18) Uani 1 1 d DU
H49 H 0.5592 0.4791 0.6917 0.170 Uiso 1 1 calc R
C50 C 0.6211(7) 0.4117(10) 0.7212(8) 0.113(15) Uani 1 1 d DU
H50 H 0.6033 0.3850 0.6904 0.135 Uiso 1 1 calc R
C51 C 0.7710(12) 0.0028(16) 0.7480(12) 0.046(9) Uani 1 1 d U
C52 C 0.8241(12) -0.0064(15) 0.8047(12) 0.045(9) Uani 1 1 d U
C53 C 0.8725(13) -0.0315(16) 0.8067(13) 0.050(10) Uani 1 1 d U
H53 H 0.8694 -0.0455 0.7722 0.060 Uiso 1 1 calc R
C54 C 0.9317(6) -0.0403(4) 0.8579(7) 0.046(9) Uani 1 1 d DU
C55 C 0.9827(7) -0.0560(4) 0.8520(7) 0.055(10) Uani 1 1 d DU
H55 H 0.9850 -0.0608 0.8162 0.066 Uiso 1 1 calc R
C56 C 1.0299(7) -0.0627(5) 0.9076(8) 0.075(12) Uani 1 1 d DU
H56 H 1.0708 -0.0743 0.9169 0.090 Uiso 1 1 calc R
C57 C 1.0091(8) -0.0515(7) 0.9475(8) 0.074(13) Uani 1 1 d DU
H57 H 1.0327 -0.0534 0.9891 0.089 Uiso 1 1 calc R
C58 C 0.9474(8) -0.0375(7) 0.9165(8) 0.060(11) Uani 1 1 d DU
H58 H 0.9207 -0.0275 0.9328 0.072 Uiso 1 1 calc R
C59 C 0.9668(7) -0.2056(4) 0.8665(8) 0.124(14) Uani 1 1 d DU
H59 H 0.9885 -0.2181 0.8455 0.149 Uiso 1 1 calc R
C60 C 0.9896(8) -0.2020(4) 0.9261(9) 0.15(2) Uani 1 1 d DU
H60 H 1.0307 -0.2121 0.9540 0.179 Uiso 1 1 calc R
C61 C 0.9445(9) -0.1860(5) 0.9400(9) 0.134(17) Uani 1 1 d DU
H61 H 0.9483 -0.1811 0.9784 0.160 Uiso 1 1 calc R
C62 C 0.8926(9) -0.1793(8) 0.8884(9) 0.147(19) Uani 1 1 d DU
H62 H 0.8541 -0.1651 0.8843 0.176 Uiso 1 1 calc R
C63 C 0.9055(9) -0.1912(8) 0.8433(9) 0.143(19) Uani 1 1 d DU
H63 H 0.8775 -0.1876 0.8025 0.172 Uiso 1 1 calc R
C64 C 0.7791(6) 0.0080(5) 0.8665(5) 0.083(13) Uani 1 1 d DU
C65 C 0.7741(7) 0.0447(3) 0.9115(4) 0.088(12) Uani 1 1 d DU
C66 C 0.8190(9) 0.0827(3) 0.9480(4) 0.101(14) Uani 1 1 d DU
H66 H 0.8544 0.0847 0.9453 0.121 Uiso 1 1 calc R
C67 C 0.8128(8) 0.1177(5) 0.9882(6) 0.109(15) Uani 1 1 d DU
H67 H 0.8436 0.1432 1.0126 0.131 Uiso 1 1 calc R
C68 C 0.7605(8) 0.1143(9) 0.9916(8) 0.113(15) Uani 1 1 d DU
H68 H 0.7555 0.1376 1.0186 0.136 Uiso 1 1 calc R
C69 C 0.7151(10) 0.0766(9) 0.9555(8) 0.115(15) Uani 1 1 d DU
H69 H 0.6797 0.0747 0.9583 0.138 Uiso 1 1 calc R
C70 C 0.7215(8) 0.0415(9) 0.9152(8) 0.110(15) Uani 1 1 d DU
H70 H 0.6907 0.0161 0.8909 0.132 Uiso 1 1 calc R
C71 C 0.7934(10) -0.0751(14) 0.5796(11) 0.036(8) Uani 1 1 d U
C72 C 0.8505(11) -0.0682(14) 0.5762(13) 0.043(8) Uani 1 1 d U
C73 C 0.8618(12) -0.1117(17) 0.5430(14) 0.059(10) Uani 1 1 d U
H73 H 0.8332 -0.1415 0.5238 0.071 Uiso 1 1 calc R
C74 C 0.9177(6) -0.1118(8) 0.5375(4) 0.064(9) Uani 1 1 d DU
C75 C 0.9336(7) -0.1641(8) 0.5168(4) 0.093(12) Uani 1 1 d DU
H75 H 0.9150 -0.2045 0.5116 0.112 Uiso 1 1 calc R
C76 C 0.9808(7) -0.1484(9) 0.5049(5) 0.097(13) Uani 1 1 d DU
H76 H 1.0011 -0.1762 0.4904 0.117 Uiso 1 1 calc R
C77 C 0.9941(8) -0.0864(10) 0.5181(7) 0.090(13) Uani 1 1 d DU
H77 H 1.0254 -0.0632 0.5145 0.109 Uiso 1 1 calc R
C78 C 0.9553(8) -0.0637(9) 0.5384(7) 0.070(10) Uani 1 1 d DU
H78 H 0.9545 -0.0217 0.5510 0.085 Uiso 1 1 calc R
C79 C 0.8234(7) -0.0698(9) 0.4042(4) 0.182(19) Uani 1 1 d DU
H79 H 0.7920 -0.0625 0.4156 0.218 Uiso 1 1 calc R
C80 C 0.8637(8) -0.0259(9) 0.4035(4) 0.19(2) Uani 1 1 d DU
H80 H 0.8655 0.0172 0.4143 0.229 Uiso 1 1 calc R
C81 C 0.9011(9) -0.0551(10) 0.3844(5) 0.176(19) Uani 1 1 d DU
H81 H 0.9337 -0.0359 0.3798 0.212 Uiso 1 1 calc R
C82 C 0.8835(9) -0.1167(11) 0.3735(7) 0.19(2) Uani 1 1 d DU
H82 H 0.9018 -0.1480 0.3601 0.226 Uiso 1 1 calc R
C83 C 0.8355(9) -0.1259(11) 0.3858(7) 0.18(2) Uani 1 1 d DU
H83 H 0.8143 -0.1644 0.3820 0.219 Uiso 1 1 calc R
C84 C 0.9197(3) -0.0141(7) 0.6592(6) 0.071(12) Uani 1 1 d DU
C85 C 0.9470(3) 0.0472(5) 0.6802(7) 0.098(14) Uani 1 1 d DU
C86 C 0.9559(3) 0.0661(5) 0.7332(8) 0.118(18) Uani 1 1 d DU
H86 H 0.9416 0.0427 0.7536 0.142 Uiso 1 1 calc R
C87 C 0.9860(4) 0.1197(7) 0.7562(9) 0.134(19) Uani 1 1 d DU
H87 H 0.9920 0.1326 0.7921 0.161 Uiso 1 1 calc R
C88 C 1.0070(8) 0.1540(10) 0.7259(8) 0.15(2) Uani 1 1 d DU
H88 H 1.0273 0.1903 0.7414 0.184 Uiso 1 1 calc R
C89 C 0.9984(9) 0.1357(10) 0.6731(9) 0.15(2) Uani 1 1 d DU
H89 H 1.0128 0.1592 0.6528 0.183 Uiso 1 1 calc R
C90 C 0.9681(7) 0.0820(9) 0.6503(10) 0.125(18) Uani 1 1 d DU
H90 H 0.9620 0.0694 0.6144 0.150 Uiso 1 1 calc R
C91 C 0.6604(13) -0.2622(16) 0.5144(15) 0.058(10) Uani 1 1 d U
C92 C 0.6865(13) -0.3265(15) 0.5277(16) 0.065(10) Uani 1 1 d U
C93 C 0.7415(14) -0.3330(17) 0.5727(15) 0.065(11) Uani 1 1 d U
H93 H 0.7576 -0.2983 0.5949 0.078 Uiso 1 1 calc R
C94 C 0.7788(4) -0.3883(7) 0.5906(4) 0.057(10) Uani 1 1 d DU
C95 C 0.7717(4) -0.4431(7) 0.5607(5) 0.067(11) Uani 1 1 d DU
H95 H 0.7373 -0.4542 0.5245 0.080 Uiso 1 1 calc R
C96 C 0.8228(6) -0.4796(8) 0.5916(6) 0.085(13) Uani 1 1 d DU
H96 H 0.8304 -0.5201 0.5806 0.102 Uiso 1 1 calc R
C97 C 0.8610(8) -0.4469(9) 0.6405(8) 0.094(14) Uani 1 1 d DU
H97 H 0.9003 -0.4607 0.6695 0.113 Uiso 1 1 calc R
C98 C 0.8343(8) -0.3901(9) 0.6405(7) 0.084(13) Uani 1 1 d DU
H98 H 0.8510 -0.3582 0.6698 0.101 Uiso 1 1 calc R
C99 C 0.9224(4) -0.3909(7) 0.5622(5) 0.152(17) Uani 1 1 d DU
H99 H 0.9603 -0.4109 0.5870 0.182 Uiso 1 1 calc R
C100 C 0.8764(5) -0.4154(8) 0.5119(5) 0.147(15) Uani 1 1 d DU
H100 H 0.8768 -0.4556 0.4956 0.176 Uiso 1 1 calc R
C101 C 0.8297(7) -0.3729(9) 0.4894(6) 0.149(16) Uani 1 1 d DU
H101 H 0.7921 -0.3776 0.4543 0.179 Uiso 1 1 calc R
C102 C 0.8470(8) -0.3218(10) 0.5260(8) 0.133(15) Uani 1 1 d DU
H102 H 0.8234 -0.2845 0.5207 0.160 Uiso 1 1 calc R
C103 C 0.9042(8) -0.3330(10) 0.5709(8) 0.146(17) Uani 1 1 d DU
H103 H 0.9274 -0.3052 0.6026 0.175 Uiso 1 1 calc R
C104 C 0.6304(4) -0.4184(6) 0.5144(8) 0.143(18) Uani 1 1 d DU
C105 C 0.5894(3) -0.4631(5) 0.4724(7) 0.195(19) Uani 1 1 d DU
C106 C 0.5861(3) -0.4712(5) 0.4196(8) 0.22(2) Uani 1 1 d DU
H106 H 0.6053 -0.4438 0.4066 0.265 Uiso 1 1 calc R
C107 C 0.5546(5) -0.5195(7) 0.3857(10) 0.27(3) Uani 1 1 d DU
H107 H 0.5526 -0.5248 0.3499 0.324 Uiso 1 1 calc R
C108 C 0.5262(8) -0.5600(10) 0.4049(8) 0.27(3) Uani 1 1 d DU
H108 H 0.5049 -0.5927 0.3820 0.320 Uiso 1 1 calc R
C109 C 0.5293(9) -0.5523(10) 0.4579(9) 0.27(3) Uani 1 1 d DU
H109 H 0.5102 -0.5796 0.4710 0.318 Uiso 1 1 calc R
C110 C 0.5608(8) -0.5038(9) 0.4913(11) 0.26(3) Uani 1 1 d DU
H110 H 0.5629 -0.4984 0.5272 0.307 Uiso 1 1 calc R
O26 O 0.6533(13) 0.3811(18) 0.6202(11) 0.162(18) Uani 1 1 d DU
H26A H 0.6780 0.4051 0.6426 0.243 Uiso 1 1 calc R
O27 O 0.8762(11) 0.138(2) 0.869(2) 0.24(2) Uani 1 1 d DU
H27A H 0.8577 0.1270 0.8355 0.355 Uiso 1 1 calc R
O28 O 0.612(3) 0.905(3) 0.7903(19) 0.29(3) Uani 1 1 d .
H28C H 0.6168 0.8661 0.7923 0.350 Uiso 1 1 d R
H28D H 0.6460 0.9215 0.8039 0.350 Uiso 1 1 d R
O29 O 0.896(3) 0.810(2) 0.692(2) 0.30(4) Uani 1 1 d .
H29C H 0.9131 0.7758 0.6923 0.360 Uiso 1 1 d R
H29D H 0.9188 0.8388 0.6923 0.360 Uiso 1 1 d R
O30 O 0.634(2) 0.665(2) 0.3866(17) 0.19(2) Uani 1 1 d .
H30C H 0.6215 0.6387 0.4020 0.224 Uiso 1 1 d R
H30D H 0.6127 0.6970 0.3795 0.224 Uiso 1 1 d R
O31 O 0.693(2) 0.513(3) 0.643(2) 0.39(4) Uani 1 1 d DU
H31 H 0.7069 0.5327 0.6249 0.592 Uiso 1 1 calc R
O32 O 0.858(4) 0.085(3) 0.531(3) 0.35(4) Uani 1 1 d .
H32C H 0.8481 0.1046 0.5532 0.419 Uiso 1 1 d R
H32D H 0.8385 0.1003 0.4975 0.419 Uiso 1 1 d R
C112 C 0.9363(14) 0.120(4) 0.891(4) 0.30(5) Uani 1 1 d DU
H11A H 0.9500 0.1275 0.8632 0.444 Uiso 1 1 calc R
H11B H 0.9398 0.0776 0.9004 0.444 Uiso 1 1 calc R
H11C H 0.9602 0.1435 0.9249 0.444 Uiso 1 1 calc R
C111 C 0.6752(18) 0.355(3) 0.5848(16) 0.18(3) Uani 1 1 d DU
H11D H 0.6955 0.3864 0.5744 0.270 Uiso 1 1 calc R
H11E H 0.6426 0.3394 0.5509 0.270 Uiso 1 1 calc R
H11F H 0.7026 0.3231 0.6048 0.270 Uiso 1 1 calc R
C113 C 0.740(3) 0.484(4) 0.689(3) 0.39(5) Uani 1 1 d DU
H11G H 0.7771 0.4913 0.6883 0.587 Uiso 1 1 calc R
H11H H 0.7327 0.4407 0.6873 0.587 Uiso 1 1 calc R
H11I H 0.7429 0.4997 0.7244 0.587 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 '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
O2 Cd1 O1 76.9(7) . .
O2 Cd1 O10 97.3(7) . 3_656
O1 Cd1 O10 98.4(7) . 3_656
O2 Cd1 O9 99.5(8) . 3_656
O1 Cd1 O9 174.4(8) . 3_656
O10 Cd1 O9 77.8(7) 3_656 3_656
O2 Cd1 O11 170.8(7) . .
O1 Cd1 O11 95.8(8) . .
O10 Cd1 O11 89.1(8) 3_656 .
O9 Cd1 O11 88.3(9) 3_656 .
O2 Cd1 O14 89.9(9) . .
O1 Cd1 O14 89.8(8) . .
O10 Cd1 O14 170.2(8) 3_656 .
O9 Cd1 O14 94.5(8) 3_656 .
O11 Cd1 O14 84.6(10) . .
O2 Cd1 Cd2 38.9(4) . .
O1 Cd1 Cd2 40.4(6) . .
O10 Cd1 Cd2 110.6(5) 3_656 .
O9 Cd1 Cd2 137.1(7) 3_656 .
O11 Cd1 Cd2 132.4(6) . .
O14 Cd1 Cd2 79.2(6) . .
O2 Cd1 Cd5 111.2(4) . 3_656
O1 Cd1 Cd5 136.7(6) . 3_656
O10 Cd1 Cd5 39.6(5) 3_656 3_656
O9 Cd1 Cd5 40.5(5) 3_656 3_656
O11 Cd1 Cd5 77.9(5) . 3_656
O14 Cd1 Cd5 131.2(6) . 3_656
Cd2 Cd1 Cd5 143.13(17) . 3_656
O2 Cd2 O3 96.3(7) . .
O2 Cd2 O4 99.1(8) . .
O3 Cd2 O4 77.2(8) . .
O2 Cd2 O1 76.7(7) . .
O3 Cd2 O1 101.8(8) . .
O4 Cd2 O1 175.5(6) . .
O2 Cd2 O15 90.7(8) . .
O3 Cd2 O15 168.9(8) . .
O4 Cd2 O15 93.2(9) . .
O1 Cd2 O15 88.2(9) . .
O2 Cd2 O17 169.6(9) . .
O3 Cd2 O17 89.0(7) . .
O4 Cd2 O17 90.9(8) . .
O1 Cd2 O17 93.5(8) . .
O15 Cd2 O17 85.5(8) . .
O2 Cd2 Cd1 39.2(6) . .
O3 Cd2 Cd1 112.0(5) . .
O4 Cd2 Cd1 136.3(5) . .
O1 Cd2 Cd1 39.9(5) . .
O15 Cd2 Cd1 78.8(6) . .
O17 Cd2 Cd1 130.4(6) . .
O2 Cd2 Cd3 110.7(6) . .
O3 Cd2 Cd3 39.2(5) . .
O4 Cd2 Cd3 40.5(6) . .
O1 Cd2 Cd3 139.6(6) . .
O15 Cd2 Cd3 129.9(7) . .
O17 Cd2 Cd3 79.0(6) . .
Cd1 Cd2 Cd3 144.12(14) . .
O6 Cd3 O3 97.7(7) . .
O6 Cd3 O5 76.2(7) . .
O3 Cd3 O5 99.5(8) . .
O6 Cd3 O4 101.6(7) . .
O3 Cd3 O4 76.6(7) . .
O5 Cd3 O4 175.3(7) . .
O6 Cd3 O18 168.1(8) . .
O3 Cd3 O18 89.8(8) . .
O5 Cd3 O18 93.5(8) . .
O4 Cd3 O18 89.1(8) . .
O6 Cd3 O20 86.7(7) . .
O3 Cd3 O20 167.9(8) . .
O5 Cd3 O20 92.4(8) . .
O4 Cd3 O20 91.6(8) . .
O18 Cd3 O20 87.8(8) . .
O6 Cd3 Cd4 39.6(5) . .
O3 Cd3 Cd4 112.0(5) . .
O5 Cd3 Cd4 39.3(5) . .
O4 Cd3 Cd4 139.7(6) . .
O18 Cd3 Cd4 128.8(6) . .
O20 Cd3 Cd4 78.5(5) . .
O6 Cd3 Cd2 113.1(5) . .
O3 Cd3 Cd2 38.9(5) . .
O5 Cd3 Cd2 136.8(6) . .
O4 Cd3 Cd2 40.1(6) . .
O18 Cd3 Cd2 78.5(6) . .
O20 Cd3 Cd2 129.0(6) . .
Cd4 Cd3 Cd2 145.39(13) . .
O5 Cd4 O6 76.5(7) . .
O5 Cd4 O7 100.3(8) . .
O6 Cd4 O7 96.5(7) . .
O5 Cd4 O8 174.2(7) . .
O6 Cd4 O8 99.2(8) . .
O7 Cd4 O8 76.1(7) . .
O5 Cd4 O23 93.4(8) . .
O6 Cd4 O23 168.9(7) . .
O7 Cd4 O23 89.8(8) . .
O8 Cd4 O23 91.2(8) . .
O5 Cd4 O21 91.1(8) . .
O6 Cd4 O21 89.2(8) . .
O7 Cd4 O21 168.2(8) . .
O8 Cd4 O21 92.8(7) . .
O23 Cd4 O21 86.4(8) . .
O5 Cd4 Cd3 39.9(5) . .
O6 Cd4 Cd3 39.3(4) . .
O7 Cd4 Cd3 111.7(6) . .
O8 Cd4 Cd3 137.0(6) . .
O23 Cd4 Cd3 129.7(6) . .
O21 Cd4 Cd3 79.1(6) . .
O5 Cd4 Cd5 137.1(6) . .
O6 Cd4 Cd5 110.8(4) . .
O7 Cd4 Cd5 38.2(5) . .
O8 Cd4 Cd5 40.5(5) . .
O23 Cd4 Cd5 79.7(5) . .
O21 Cd4 Cd5 130.0(6) . .
Cd3 Cd4 Cd5 143.48(15) . .
O7 Cd5 O10 96.6(8) . .
O7 Cd5 O9 98.3(9) . .
O10 Cd5 O9 79.5(7) . .
O7 Cd5 O8 77.4(7) . .
O10 Cd5 O8 98.0(7) . .
O9 Cd5 O8 174.8(8) . .
O7 Cd5 O12 169.8(7) . 3_656
O10 Cd5 O12 91.2(8) . 3_656
O9 Cd5 O12 89.6(9) . 3_656
O8 Cd5 O12 95.0(8) . 3_656
O7 Cd5 O24 88.6(9) . .
O10 Cd5 O24 170.1(7) . .
O9 Cd5 O24 91.5(8) . .
O8 Cd5 O24 91.3(8) . .
O12 Cd5 O24 84.7(9) 3_656 .
O7 Cd5 Cd4 39.6(5) . .
O10 Cd5 Cd4 110.5(5) . .
O9 Cd5 Cd4 136.2(7) . .
O8 Cd5 Cd4 40.4(5) . .
O12 Cd5 Cd4 130.9(6) 3_656 .
O24 Cd5 Cd4 78.8(5) . .
O7 Cd5 Cd1 110.5(5) . 3_656
O10 Cd5 Cd1 40.9(5) . 3_656
O9 Cd5 Cd1 41.0(5) . 3_656
O8 Cd5 Cd1 137.7(5) . 3_656
O12 Cd5 Cd1 79.8(5) 3_656 3_656
O24 Cd5 Cd1 129.3(5) . 3_656
Cd4 Cd5 Cd1 143.80(18) . 3_656
C14 Fe1 C18 41.1(7) . .
C14 Fe1 C15 41.1(6) . .
C18 Fe1 C15 69.0(8) . .
C14 Fe1 C17 68.8(7) . .
C18 Fe1 C17 40.7(7) . .
C15 Fe1 C17 68.7(8) . .
C14 Fe1 C16 68.7(6) . .
C18 Fe1 C16 68.6(8) . .
C15 Fe1 C16 40.7(7) . .
C17 Fe1 C16 40.8(8) . .
C14 Fe1 C20 164.6(10) . .
C18 Fe1 C20 153.7(10) . .
C15 Fe1 C20 127.5(8) . .
C17 Fe1 C20 120.3(8) . .
C16 Fe1 C20 109.3(6) . .
C14 Fe1 C21 152.8(8) . .
C18 Fe1 C21 119.5(10) . .
C15 Fe1 C21 165.5(7) . .
C17 Fe1 C21 109.2(10) . .
C16 Fe1 C21 128.6(8) . .
C20 Fe1 C21 40.1(7) . .
C14 Fe1 C22 118.6(7) . .
C18 Fe1 C22 108.3(9) . .
C15 Fe1 C22 152.5(9) . .
C17 Fe1 C22 128.1(10) . .
C16 Fe1 C22 165.9(11) . .
C20 Fe1 C22 67.0(6) . .
C21 Fe1 C22 39.9(7) . .
C14 Fe1 C19 126.7(9) . .
C18 Fe1 C19 164.4(8) . .
C15 Fe1 C19 107.9(8) . .
C17 Fe1 C19 153.8(7) . .
C16 Fe1 C19 119.6(7) . .
C20 Fe1 C19 39.9(7) . .
C21 Fe1 C19 67.2(8) . .
C22 Fe1 C19 67.0(8) . .
C14 Fe1 C23 107.4(8) . .
C18 Fe1 C23 127.1(8) . .
C15 Fe1 C23 118.6(10) . .
C17 Fe1 C23 165.0(9) . .
C16 Fe1 C23 152.9(11) . .
C20 Fe1 C23 67.0(7) . .
C21 Fe1 C23 67.1(9) . .
C22 Fe1 C23 39.8(9) . .
C19 Fe1 C23 39.9(6) . .
C35 Fe2 C41 154.8(8) . .
C35 Fe2 C40 164.8(9) . .
C41 Fe2 C40 40.0(7) . .
C35 Fe2 C36 40.2(6) . .
C41 Fe2 C36 161.1(7) . .
C40 Fe2 C36 127.2(7) . .
C35 Fe2 C34 40.5(7) . .
C41 Fe2 C34 118.2(9) . .
C40 Fe2 C34 153.1(9) . .
C36 Fe2 C34 67.8(7) . .
C35 Fe2 C37 67.2(7) . .
C41 Fe2 C37 123.2(8) . .
C40 Fe2 C37 108.4(7) . .
C36 Fe2 C37 40.0(7) . .
C34 Fe2 C37 67.4(7) . .
C35 Fe2 C38 67.4(8) . .
C41 Fe2 C38 105.0(9) . .
C40 Fe2 C38 119.4(8) . .
C36 Fe2 C38 67.4(8) . .
C34 Fe2 C38 40.1(6) . .
C37 Fe2 C38 39.9(7) . .
C35 Fe2 C42 122.4(8) . .
C41 Fe2 C42 40.1(7) . .
C40 Fe2 C42 67.0(7) . .
C36 Fe2 C42 158.6(8) . .
C34 Fe2 C42 106.8(8) . .
C37 Fe2 C42 159.0(9) . .
C38 Fe2 C42 122.8(9) . .
C35 Fe2 C43 112.2(8) . .
C41 Fe2 C43 66.7(8) . .
C40 Fe2 C43 66.4(7) . .
C36 Fe2 C43 125.9(9) . .
C34 Fe2 C43 126.7(7) . .
C37 Fe2 C43 159.4(9) . .
C38 Fe2 C43 160.5(9) . .
C42 Fe2 C43 39.6(8) . .
C35 Fe2 C39 129.4(9) . .
C41 Fe2 C39 67.0(8) . .
C40 Fe2 C39 39.8(7) . .
C36 Fe2 C39 112.4(8) . .
C34 Fe2 C39 164.2(6) . .
C37 Fe2 C39 123.7(8) . .
C38 Fe2 C39 155.6(7) . .
C42 Fe2 C39 66.9(8) . .
C43 Fe2 C39 39.4(6) . .
C60 Fe3 C59 42.2(7) . .
C60 Fe3 C54 177.3(7) . .
C59 Fe3 C54 135.5(7) . .
C60 Fe3 C61 41.2(8) . .
C59 Fe3 C61 69.8(8) . .
C54 Fe3 C61 138.6(8) . .
C60 Fe3 C58 141.3(9) . .
C59 Fe3 C58 172.8(7) . .
C54 Fe3 C58 40.7(7) . .
C61 Fe3 C58 109.4(9) . .
C60 Fe3 C55 139.6(9) . .
C59 Fe3 C55 112.4(8) . .
C54 Fe3 C55 40.8(6) . .
C61 Fe3 C55 177.5(7) . .
C58 Fe3 C55 68.6(8) . .
C60 Fe3 C56 114.2(7) . .
C59 Fe3 C56 117.9(8) . .
C54 Fe3 C56 67.8(6) . .
C61 Fe3 C56 137.6(7) . .
C58 Fe3 C56 67.8(7) . .
C55 Fe3 C56 40.5(6) . .
C60 Fe3 C57 114.4(7) . .
C59 Fe3 C57 146.6(7) . .
C54 Fe3 C57 68.3(6) . .
C61 Fe3 C57 109.2(8) . .
C58 Fe3 C57 40.7(6) . .
C55 Fe3 C57 68.3(7) . .
C56 Fe3 C57 40.1(8) . .
C60 Fe3 C63 68.0(7) . .
C59 Fe3 C63 40.4(7) . .
C54 Fe3 C63 109.3(6) . .
C61 Fe3 C63 67.0(8) . .
C58 Fe3 C63 132.4(8) . .
C55 Fe3 C63 115.5(8) . .
C56 Fe3 C63 147.4(10) . .
C57 Fe3 C63 171.7(10) . .
C60 Fe3 C62 67.1(7) . .
C59 Fe3 C62 67.3(8) . .
C54 Fe3 C62 111.1(7) . .
C61 Fe3 C62 39.3(7) . .
C58 Fe3 C62 107.3(9) . .
C55 Fe3 C62 142.3(7) . .
C56 Fe3 C62 173.8(9) . .
C57 Fe3 C62 133.8(10) . .
C63 Fe3 C62 38.8(8) . .
C79 Fe4 C83 40.6(7) . .
C79 Fe4 C82 68.1(7) . .
C83 Fe4 C82 40.4(8) . .
C79 Fe4 C80 40.7(7) . .
C83 Fe4 C80 68.4(8) . .
C82 Fe4 C80 68.1(8) . .
C79 Fe4 C77 156.8(9) . .
C83 Fe4 C77 161.0(10) . .
C82 Fe4 C77 124.3(9) . .
C80 Fe4 C77 121.1(8) . .
C79 Fe4 C81 68.2(8) . .
C83 Fe4 C81 68.2(8) . .
C82 Fe4 C81 40.4(8) . .
C80 Fe4 C81 40.6(7) . .
C77 Fe4 C81 107.4(9) . .
C79 Fe4 C76 162.1(8) . .
C83 Fe4 C76 124.4(9) . .
C82 Fe4 C76 106.7(8) . .
C80 Fe4 C76 155.1(9) . .
C77 Fe4 C76 40.3(7) . .
C81 Fe4 C76 119.6(9) . .
C79 Fe4 C78 122.7(8) . .
C83 Fe4 C78 157.0(10) . .
C82 Fe4 C78 161.9(9) . .
C80 Fe4 C78 109.5(8) . .
C77 Fe4 C78 40.2(7) . .
C81 Fe4 C78 126.1(9) . .
C76 Fe4 C78 67.5(7) . .
C79 Fe4 C75 126.2(8) . .
C83 Fe4 C75 108.0(8) . .
C82 Fe4 C75 120.3(9) . .
C80 Fe4 C75 163.5(8) . .
C77 Fe4 C75 67.6(7) . .
C81 Fe4 C75 154.6(9) . .
C76 Fe4 C75 40.3(7) . .
C78 Fe4 C75 67.2(7) . .
C79 Fe4 C74 109.8(7) . .
C83 Fe4 C74 121.7(9) . .
C82 Fe4 C74 155.5(9) . .
C80 Fe4 C74 127.3(8) . .
C77 Fe4 C74 67.6(7) . .
C81 Fe4 C74 163.5(8) . .
C76 Fe4 C74 67.5(7) . .
C78 Fe4 C74 40.1(7) . .
C75 Fe4 C74 39.9(6) . .
C94 Fe5 C102 108.7(8) . .
C94 Fe5 C98 41.0(5) . .
C102 Fe5 C98 120.8(9) . .
C94 Fe5 C95 40.7(6) . .
C102 Fe5 C95 126.9(7) . .
C98 Fe5 C95 68.6(6) . .
C94 Fe5 C101 118.8(6) . .
C102 Fe5 C101 40.7(7) . .
C98 Fe5 C101 154.3(8) . .
C95 Fe5 C101 106.7(6) . .
C94 Fe5 C103 128.8(8) . .
C102 Fe5 C103 40.5(7) . .
C98 Fe5 C103 109.8(9) . .
C95 Fe5 C103 165.6(8) . .
C101 Fe5 C103 68.1(7) . .
C94 Fe5 C97 68.3(7) . .
C102 Fe5 C97 155.4(8) . .
C98 Fe5 C97 40.7(8) . .
C95 Fe5 C97 67.7(6) . .
C101 Fe5 C97 162.9(9) . .
C103 Fe5 C97 121.1(8) . .
C94 Fe5 C100 152.2(5) . .
C102 Fe5 C100 67.8(8) . .
C98 Fe5 C100 164.9(7) . .
C95 Fe5 C100 117.8(6) . .
C101 Fe5 C100 40.2(6) . .
C103 Fe5 C100 67.6(8) . .
C97 Fe5 C100 126.7(8) . .
C94 Fe5 C96 68.3(6) . .
C102 Fe5 C96 163.8(7) . .
C98 Fe5 C96 68.3(8) . .
C95 Fe5 C96 40.5(6) . .
C101 Fe5 C96 125.5(7) . .
C103 Fe5 C96 153.4(7) . .
C97 Fe5 C96 39.9(6) . .
C100 Fe5 C96 106.9(8) . .
C94 Fe5 C99 166.4(6) . .
C102 Fe5 C99 67.7(7) . .
C98 Fe5 C99 128.4(6) . .
C95 Fe5 C99 152.0(7) . .
C101 Fe5 C99 67.7(5) . .
C103 Fe5 C99 40.1(7) . .
C97 Fe5 C99 109.2(7) . .
C100 Fe5 C99 40.1(5) . .
C96 Fe5 C99 118.9(7) . .
C1 O1 Cd1 127(2) . .
C1 O1 Cd2 125.0(18) . .
Cd1 O1 Cd2 99.7(8) . .
C1 O1 H1 99.6 . .
Cd1 O1 H1 99.6 . .
Cd2 O1 H1 99.6 . .
C2 O2 Cd2 118.9(17) . .
C2 O2 Cd1 116(2) . .
Cd2 O2 Cd1 102.0(8) . .
C3 O3 Cd2 122(2) . .
C3 O3 Cd3 121(2) . .
Cd2 O3 Cd3 101.9(7) . .
C4 O4 Cd2 126.4(19) . .
C4 O4 Cd3 127.9(17) . .
Cd2 O4 Cd3 99.3(9) . .
C4 O4 H4 98.3 . .
Cd2 O4 H4 98.3 . .
Cd3 O4 H4 98.3 . .
C5 O5 Cd4 128.6(18) . .
C5 O5 Cd3 128.4(16) . .
Cd4 O5 Cd3 100.8(8) . .
C5 O5 H5 94.7 . .
Cd4 O5 H5 94.7 . .
Cd3 O5 H5 94.7 . .
C6 O6 Cd3 129.6(19) . .
C6 O6 Cd4 122(2) . .
Cd3 O6 Cd4 101.2(7) . .
C7 O7 Cd5 124(2) . .
C7 O7 Cd4 114.0(16) . .
Cd5 O7 Cd4 102.2(9) . .
C8 O8 Cd4 126.4(12) . .
C8 O8 Cd5 127.8(18) . .
Cd4 O8 Cd5 99.1(8) . .
C8 O8 H8 98.5 . .
Cd4 O8 H8 98.5 . .
Cd5 O8 H8 98.5 . .
C9 O9 Cd5 129.4(17) . .
C9 O9 Cd1 121.8(16) . 3_656
Cd5 O9 Cd1 98.5(9) . 3_656
C9 O9 H9 100.6 . .
Cd5 O9 H9 100.6 . .
Cd1 O9 H9 100.6 3_656 .
C10 O10 Cd5 121.0(16) . .
C10 O10 Cd1 123.0(14) . 3_656
Cd5 O10 Cd1 99.6(8) . 3_656
C11 O11 Cd1 130(2) . .
C11 O12 Cd5 125(2) . 3_656
C31 O14 Cd1 128(2) . .
C31 O15 Cd2 129.9(18) . .
C51 O17 Cd2 127.9(19) . .
C51 O18 Cd3 128.8(18) . .
C71 O20 Cd3 128.2(16) . .
C71 O21 Cd4 126.6(19) . .
C91 O23 Cd4 126.9(18) . .
C91 O24 Cd5 126(2) . .
C24 N1 C12 121(2) . .
C24 N1 H1N 119.7 . .
C12 N1 H1N 119.7 . .
C44 N2 C32 121(2) . .
C44 N2 H2N 119.4 . .
C32 N2 H2N 119.4 . .
C64 N3 C52 122(2) . .
C64 N3 H3N 119.1 . .
C52 N3 H3N 119.2 . .
C84 N4 C72 124(2) . .
C84 N4 H4N 117.8 . .
C72 N4 H4N 117.8 . .
C104 N5 C92 126(3) . .
C104 N5 H5N 117.1 . .
C92 N5 H5N 117.1 . .
O1 C1 H1A 109.5 . .
O1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
O1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O2 C2 H2A 109.5 . .
O2 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
O2 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O3 C3 H3A 109.5 . .
O3 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
O3 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O4 C4 H4A 109.5 . .
O4 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
O4 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O5 C5 H5A 109.5 . .
O5 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
O5 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 109.5 . .
O6 C6 H6A 109.5 . .
O6 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
O6 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
O7 C7 H7A 109.5 . .
O7 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
O7 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O8 C8 H8A 109.5 . .
O8 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
O8 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
O9 C9 H9A 109.5 . .
O9 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
O9 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
O10 C10 H10A 109.5 . .
O10 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
O10 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
O11 C11 O12 127(3) . .
O11 C11 C12 117(3) . .
O12 C11 C12 116(3) . .
C13 C12 N1 127(4) . .
C13 C12 C11 118(4) . .
N1 C12 C11 115(3) . .
C12 C13 C14 129(4) . .
C12 C13 H13 115.4 . .
C14 C13 H13 115.4 . .
C18 C14 C15 108.0(14) . .
C18 C14 C13 129(2) . .
C15 C14 C13 123(2) . .
C18 C14 Fe1 69.6(9) . .
C15 C14 Fe1 69.9(8) . .
C13 C14 Fe1 119.7(16) . .
C16 C15 C14 107.7(17) . .
C16 C15 Fe1 69.9(9) . .
C14 C15 Fe1 69.0(8) . .
C16 C15 H15 126.1 . .
C14 C15 H15 126.1 . .
Fe1 C15 H15 126.1 . .
C15 C16 C17 108.2(15) . .
C15 C16 Fe1 69.4(8) . .
C17 C16 Fe1 69.4(9) . .
C15 C16 H16 125.9 . .
C17 C16 H16 125.9 . .
Fe1 C16 H16 125.9 . .
C18 C17 C16 108.1(19) . .
C18 C17 Fe1 69.3(10) . .
C16 C17 Fe1 69.8(10) . .
C18 C17 H17 126.0 . .
C16 C17 H17 126.0 . .
Fe1 C17 H17 126.0 . .
C17 C18 C14 108.0(17) . .
C17 C18 Fe1 70.0(10) . .
C14 C18 Fe1 69.3(9) . .
C17 C18 H18 126.0 . .
C14 C18 H18 126.0 . .
Fe1 C18 H18 126.0 . .
C20 C19 C23 107.8(18) . .
C20 C19 Fe1 69.8(9) . .
C23 C19 Fe1 70.0(10) . .
C20 C19 H19 126.1 . .
C23 C19 H19 126.1 . .
Fe1 C19 H19 126.1 . .
C19 C20 C21 108.0(14) . .
C19 C20 Fe1 70.2(8) . .
C21 C20 Fe1 69.9(8) . .
C19 C20 H20 126.0 . .
C21 C20 H20 126.0 . .
Fe1 C20 H20 126.0 . .
C22 C21 C20 108(2) . .
C22 C21 Fe1 70.0(11) . .
C20 C21 Fe1 70.0(10) . .
C22 C21 H21 126.1 . .
C20 C21 H21 126.1 . .
Fe1 C21 H21 126.1 . .
C23 C22 C21 108.4(19) . .
C23 C22 Fe1 70.3(11) . .
C21 C22 Fe1 70.1(10) . .
C23 C22 H22 125.8 . .
C21 C22 H22 125.8 . .
Fe1 C22 H22 125.8 . .
C22 C23 C19 108(2) . .
C22 C23 Fe1 69.9(12) . .
C19 C23 Fe1 70.1(10) . .
C22 C23 H23 126.0 . .
C19 C23 H23 126.0 . .
Fe1 C23 H23 126.0 . .
O13 C24 N1 124(2) . .
O13 C24 C25 121(2) . .
N1 C24 C25 114.6(17) . .
C26 C25 C30 120.3(17) . .
C26 C25 C24 118.8(12) . .
C30 C25 C24 120.4(14) . .
C25 C26 C27 119.9(12) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C28 C27 C26 119.1(17) . .
C28 C27 H27 120.4 . .
C26 C27 H27 120.4 . .
C29 C28 C27 121(2) . .
C29 C28 H28 119.5 . .
C27 C28 H28 119.6 . .
C28 C29 C30 119.8(19) . .
C28 C29 H29 120.1 . .
C30 C29 H29 120.1 . .
C29 C30 C25 120(2) . .
C29 C30 H30 120.0 . .
C25 C30 H30 120.0 . .
O15 C31 O14 124(3) . .
O15 C31 C32 117(3) . .
O14 C31 C32 119(3) . .
C33 C32 N2 123(3) . .
C33 C32 C31 122(3) . .
N2 C32 C31 115(3) . .
C32 C33 C34 132(3) . .
C32 C33 H33 114.0 . .
C34 C33 H33 114.0 . .
C38 C34 C35 107.2(14) . .
C38 C34 C33 123(2) . .
C35 C34 C33 129.6(18) . .
C38 C34 Fe2 70.2(9) . .
C35 C34 Fe2 69.2(8) . .
C33 C34 Fe2 122.0(18) . .
C36 C35 C34 108.6(15) . .
C36 C35 Fe2 70.3(8) . .
C34 C35 Fe2 70.3(9) . .
C36 C35 H35 125.7 . .
C34 C35 H35 125.7 . .
Fe2 C35 H35 125.7 . .
C35 C36 C37 107.6(18) . .
C35 C36 Fe2 69.5(8) . .
C37 C36 Fe2 70.2(9) . .
C35 C36 H36 126.2 . .
C37 C36 H36 126.2 . .
Fe2 C36 H36 126.2 . .
C38 C37 C36 108.4(17) . .
C38 C37 Fe2 70.2(9) . .
C36 C37 Fe2 69.7(8) . .
C38 C37 H37 125.8 . .
C36 C37 H37 125.8 . .
Fe2 C37 H37 125.8 . .
C37 C38 C34 108.3(18) . .
C37 C38 Fe2 69.9(10) . .
C34 C38 Fe2 69.8(9) . .
C37 C38 H38 125.9 . .
C34 C38 H38 125.9 . .
Fe2 C38 H38 125.9 . .
C43 C39 C40 106.9(17) . .
C43 C39 Fe2 69.9(10) . .
C40 C39 Fe2 68.8(9) . .
C43 C39 H39 126.5 . .
C40 C39 H39 126.5 . .
Fe2 C39 H39 126.5 . .
C41 C40 C39 108.5(13) . .
C41 C40 Fe2 69.5(9) . .
C39 C40 Fe2 71.4(8) . .
C41 C40 H40 125.7 . .
C39 C40 H40 125.7 . .
Fe2 C40 H40 125.7 . .
C40 C41 C42 108.2(18) . .
C40 C41 Fe2 70.5(9) . .
C42 C41 Fe2 70.8(10) . .
C40 C41 H41 125.9 . .
C42 C41 H41 125.9 . .
Fe2 C41 H41 125.9 . .
C43 C42 C41 107.4(18) . .
C43 C42 Fe2 70.9(10) . .
C41 C42 Fe2 69.2(9) . .
C43 C42 H42 126.3 . .
C41 C42 H42 126.3 . .
Fe2 C42 H42 126.3 . .
C42 C43 C39 108.9(19) . .
C42 C43 Fe2 69.5(10) . .
C39 C43 Fe2 70.7(9) . .
C42 C43 H43 125.6 . .
C39 C43 H43 125.5 . .
Fe2 C43 H43 125.5 . .
O16 C44 N2 127.8(18) . .
O16 C44 C45 115.7(18) . .
N2 C44 C45 116.4(14) . .
C50 C45 C46 128.4(13) . .
C50 C45 C44 125.8(13) . .
C46 C45 C44 105.7(8) . .
C45 C46 C47 110.7(9) . .
C45 C46 H46 124.6 . .
C47 C46 H46 124.7 . .
C48 C47 C46 125.4(16) . .
C48 C47 H47 117.3 . .
C46 C47 H47 117.3 . .
C47 C48 C49 119.6(19) . .
C47 C48 H48 120.2 . .
C49 C48 H48 120.2 . .
C48 C49 C50 119.5(17) . .
C48 C49 H49 120.3 . .
C50 C49 H49 120.3 . .
C45 C50 C49 116.4(17) . .
C45 C50 H50 121.8 . .
C49 C50 H50 121.8 . .
O17 C51 O18 125(2) . .
O17 C51 C52 119(3) . .
O18 C51 C52 116(3) . .
C53 C52 N3 125(2) . .
C53 C52 C51 119(3) . .
N3 C52 C51 115(3) . .
C52 C53 C54 128(3) . .
C52 C53 H53 116.1 . .
C54 C53 H53 116.1 . .
C55 C54 C58 108.8(14) . .
C55 C54 C53 121(2) . .
C58 C54 C53 130(2) . .
C55 C54 Fe3 70.2(7) . .
C58 C54 Fe3 70.3(8) . .
C53 C54 Fe3 123.6(15) . .
C56 C55 C54 106.8(17) . .
C56 C55 Fe3 69.9(9) . .
C54 C55 Fe3 69.0(8) . .
C56 C55 H55 126.6 . .
C54 C55 H55 126.6 . .
Fe3 C55 H55 126.6 . .
C57 C56 C55 109.6(16) . .
C57 C56 Fe3 70.6(9) . .
C55 C56 Fe3 69.6(8) . .
C57 C56 H56 125.2 . .
C55 C56 H56 125.2 . .
Fe3 C56 H56 125.2 . .
C56 C57 C58 107.2(16) . .
C56 C57 Fe3 69.4(9) . .
C58 C57 Fe3 69.0(9) . .
C56 C57 H57 126.4 . .
C58 C57 H57 126.4 . .
Fe3 C57 H57 126.4 . .
C54 C58 C57 107.6(18) . .
C54 C58 Fe3 69.0(8) . .
C57 C58 Fe3 70.4(10) . .
C54 C58 H58 126.2 . .
C57 C58 H58 126.2 . .
Fe3 C58 H58 126.2 . .
C60 C59 C63 105.8(18) . .
C60 C59 Fe3 66.2(7) . .
C63 C59 Fe3 73.8(9) . .
C60 C59 H59 127.0 . .
C63 C59 H59 127.0 . .
Fe3 C59 H59 127.0 . .
C61 C60 C59 110.3(15) . .
C61 C60 Fe3 73.6(8) . .
C59 C60 Fe3 71.6(7) . .
C61 C60 H60 124.8 . .
C59 C60 H60 124.8 . .
Fe3 C60 H60 124.8 . .
C60 C61 C62 106.4(19) . .
C60 C61 Fe3 65.2(9) . .
C62 C61 Fe3 73.6(11) . .
C60 C61 H61 126.8 . .
C62 C61 H61 126.8 . .
Fe3 C61 H61 126.8 . .
C63 C62 C61 109.3(19) . .
C63 C62 Fe3 70.0(11) . .
C61 C62 Fe3 67.1(10) . .
C63 C62 H62 125.3 . .
C61 C62 H62 125.3 . .
Fe3 C62 H62 125.3 . .
C62 C63 C59 108.2(18) . .
C62 C63 Fe3 71.3(11) . .
C59 C63 Fe3 65.8(8) . .
C62 C63 H63 125.9 . .
C59 C63 H63 125.9 . .
Fe3 C63 H63 125.9 . .
O19 C64 N3 119(2) . .
O19 C64 C65 122.1(19) . .
N3 C64 C65 119.0(14) . .
C66 C65 C70 119.4(15) . .
C66 C65 C64 122.6(16) . .
C70 C65 C64 117.9(12) . .
C67 C66 C65 121.8(19) . .
C67 C66 H66 119.1 . .
C65 C66 H66 119.1 . .
C68 C67 C66 118.5(16) . .
C68 C67 H67 120.7 . .
C66 C67 H67 120.7 . .
C67 C68 C69 121(2) . .
C67 C68 H68 119.7 . .
C69 C68 H68 119.7 . .
C68 C69 C70 121(2) . .
C68 C69 H69 119.6 . .
C70 C69 H69 119.6 . .
C65 C70 C69 119.1(17) . .
C65 C70 H70 120.5 . .
C69 C70 H70 120.5 . .
O20 C71 O21 127(3) . .
O20 C71 C72 116(2) . .
O21 C71 C72 117(3) . .
N4 C72 C73 126(3) . .
N4 C72 C71 118(3) . .
C73 C72 C71 117(3) . .
C72 C73 C74 122(3) . .
C72 C73 H73 118.8 . .
C74 C73 H73 118.8 . .
C75 C74 C78 107.6(16) . .
C75 C74 C73 120(2) . .
C78 C74 C73 131(2) . .
C75 C74 Fe4 69.6(8) . .
C78 C74 Fe4 69.5(9) . .
C73 C74 Fe4 115.9(14) . .
C74 C75 C76 108.3(16) . .
C74 C75 Fe4 70.5(8) . .
C76 C75 Fe4 69.3(8) . .
C74 C75 H75 125.9 . .
C76 C75 H75 125.9 . .
Fe4 C75 H75 125.9 . .
C77 C76 C75 108.0(17) . .
C77 C76 Fe4 69.8(9) . .
C75 C76 Fe4 70.4(9) . .
C77 C76 H76 126.0 . .
C75 C76 H76 126.0 . .
Fe4 C76 H76 126.0 . .
C76 C77 C78 107.9(18) . .
C76 C77 Fe4 69.9(9) . .
C78 C77 Fe4 70.5(9) . .
C76 C77 H77 126.0 . .
C78 C77 H77 126.0 . .
Fe4 C77 H77 126.0 . .
C77 C78 C74 108.2(17) . .
C77 C78 Fe4 69.3(9) . .
C74 C78 Fe4 70.4(8) . .
C77 C78 H78 125.9 . .
C74 C78 H78 125.9 . .
Fe4 C78 H78 125.9 . .
C83 C79 C80 108.4(18) . .
C83 C79 Fe4 70.0(9) . .
C80 C79 Fe4 70.0(9) . .
C83 C79 H79 125.8 . .
C80 C79 H79 125.8 . .
Fe4 C79 H79 125.8 . .
C79 C80 C81 107.8(17) . .
C79 C80 Fe4 69.3(9) . .
C81 C80 Fe4 70.1(9) . .
C79 C80 H80 126.1 . .
C81 C80 H80 126.1 . .
Fe4 C80 H80 126.1 . .
C82 C81 C80 107.7(19) . .
C82 C81 Fe4 69.6(10) . .
C80 C81 Fe4 69.3(9) . .
C82 C81 H81 126.2 . .
C80 C81 H81 126.1 . .
Fe4 C81 H81 126.1 . .
C83 C82 C81 108(2) . .
C83 C82 Fe4 69.5(11) . .
C81 C82 Fe4 70.0(10) . .
C83 C82 H82 125.8 . .
C81 C82 H82 125.8 . .
Fe4 C82 H82 125.8 . .
C79 C83 C82 108(2) . .
C79 C83 Fe4 69.4(9) . .
C82 C83 Fe4 70.1(10) . .
C79 C83 H83 126.1 . .
C82 C83 H83 126.1 . .
Fe4 C83 H83 126.1 . .
O22 C84 N4 121.1(17) . .
O22 C84 C85 123.5(13) . .
N4 C84 C85 115.5(16) . .
C90 C85 C86 119.6(13) . .
C90 C85 C84 121.5(15) . .
C86 C85 C84 118.7(13) . .
C87 C86 C85 120.3(17) . .
C87 C86 H86 119.9 . .
C85 C86 H86 119.9 . .
C88 C87 C86 120(2) . .
C88 C87 H87 120.2 . .
C86 C87 H87 120.2 . .
C89 C88 C87 121(2) . .
C89 C88 H88 119.6 . .
C87 C88 H88 119.6 . .
C88 C89 C90 119(2) . .
C88 C89 H89 120.3 . .
C90 C89 H89 120.3 . .
C85 C90 C89 120(2) . .
C85 C90 H90 119.8 . .
C89 C90 H90 119.8 . .
O24 C91 O23 129(3) . .
O24 C91 C92 114(3) . .
O23 C91 C92 118(2) . .
N5 C92 C93 126(3) . .
N5 C92 C91 117(2) . .
C93 C92 C91 117(3) . .
C92 C93 C94 128(3) . .
C92 C93 H93 116.1 . .
C94 C93 H93 116.1 . .
C95 C94 C98 108.4(13) . .
C95 C94 C93 128.7(15) . .
C98 C94 C93 122.4(18) . .
C95 C94 Fe5 70.4(7) . .
C98 C94 Fe5 70.2(9) . .
C93 C94 Fe5 118.9(18) . .
C94 C95 C96 108.2(10) . .
C94 C95 Fe5 68.9(7) . .
C96 C95 Fe5 70.8(7) . .
C94 C95 H95 125.9 . .
C96 C95 H95 125.9 . .
Fe5 C95 H95 125.9 . .
C97 C96 C95 107.5(15) . .
C97 C96 Fe5 69.6(10) . .
C95 C96 Fe5 68.6(8) . .
C97 C96 H96 126.2 . .
C95 C96 H96 126.2 . .
Fe5 C96 H96 126.2 . .
C96 C97 C98 108.9(14) . .
C96 C97 Fe5 70.5(9) . .
C98 C97 Fe5 68.9(10) . .
C96 C97 H97 125.5 . .
C98 C97 H97 125.5 . .
Fe5 C97 H97 125.5 . .
C94 C98 C97 107.0(15) . .
C94 C98 Fe5 68.7(8) . .
C97 C98 Fe5 70.4(11) . .
C94 C98 H98 126.5 . .
C97 C98 H98 126.5 . .
Fe5 C98 H98 126.5 . .
C103 C99 C100 108.1(12) . .
C103 C99 Fe5 69.4(9) . .
C100 C99 Fe5 69.8(7) . .
C103 C99 H99 125.9 . .
C100 C99 H99 126.0 . .
Fe5 C99 H99 125.9 . .
C101 C100 C99 108.2(14) . .
C101 C100 Fe5 69.3(8) . .
C99 C100 Fe5 70.1(7) . .
C101 C100 H100 125.9 . .
C99 C100 H100 125.9 . .
Fe5 C100 H100 125.9 . .
C100 C101 C102 107.6(13) . .
C100 C101 Fe5 70.5(7) . .
C102 C101 Fe5 69.2(9) . .
C100 C101 H101 126.2 . .
C102 C101 H101 126.2 . .
Fe5 C101 H101 126.2 . .
C103 C102 C101 108.2(17) . .
C103 C102 Fe5 70.3(11) . .
C101 C102 Fe5 70.2(10) . .
C103 C102 H102 125.9 . .
C101 C102 H102 125.9 . .
Fe5 C102 H102 125.9 . .
C99 C103 C102 107.8(16) . .
C99 C103 Fe5 70.5(9) . .
C102 C103 Fe5 69.1(11) . .
C99 C103 H103 126.1 . .
C102 C103 H103 126.1 . .
Fe5 C103 H103 126.1 . .
O25 C104 N5 120.8(19) . .
O25 C104 C105 120.5(18) . .
N5 C104 C105 118.7(18) . .
C106 C105 C110 119.5(14) . .
C106 C105 C104 122.5(13) . .
C110 C105 C104 117.3(18) . .
C105 C106 C107 120.3(16) . .
C105 C106 H106 119.9 . .
C107 C106 H106 119.8 . .
C108 C107 C106 120(2) . .
C108 C107 H107 120.0 . .
C106 C107 H107 120.0 . .
C107 C108 C109 120(2) . .
C107 C108 H108 120.0 . .
C109 C108 H108 120.0 . .
C110 C109 C108 119(2) . .
C110 C109 H109 120.3 . .
C108 C109 H109 120.3 . .
C109 C110 C105 121(2) . .
C109 C110 H110 119.6 . .
C105 C110 H110 119.6 . .
C111 O26 H26A 109.5 . .
C112 O27 H27A 109.5 . .
H28C O28 H28D 108.4 . .
H29C O29 H29D 109.1 . .
H30C O30 H30D 108.5 . .
C113 O31 H31 109.5 . .
H32C O32 H32D 108.4 . .
O27 C112 H11A 109.5 . .
O27 C112 H11B 109.5 . .
H11A C112 H11B 109.5 . .
O27 C112 H11C 109.5 . .
H11A C112 H11C 109.5 . .
H11B C112 H11C 109.5 . .
O26 C111 H11D 109.5 . .
O26 C111 H11E 109.5 . .
H11D C111 H11E 109.5 . .
O26 C111 H11F 109.5 . .
H11D C111 H11F 109.5 . .
H11E C111 H11F 109.5 . .
O31 C113 H11G 109.5 . .
O31 C113 H11H 109.5 . .
H11G C113 H11H 109.5 . .
O31 C113 H11I 109.4 . .
H11G C113 H11I 109.5 . .
H11H C113 H11I 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 O2 1.95(2) .
Cd1 O1 1.962(18) .
Cd1 O10 2.012(15) 3_656
Cd1 O9 2.010(18) 3_656
Cd1 O11 2.02(3) .
Cd1 O14 2.06(2) .
Cd1 Cd2 3.014(5) .
Cd1 Cd5 3.032(4) 3_656
Cd2 O2 1.934(15) .
Cd2 O3 1.946(18) .
Cd2 O4 1.98(2) .
Cd2 O1 1.98(2) .
Cd2 O15 2.04(2) .
Cd2 O17 2.040(17) .
Cd2 Cd3 3.030(5) .
Cd3 O6 1.949(16) .
Cd3 O3 1.957(18) .
Cd3 O5 1.973(18) .
Cd3 O4 1.99(2) .
Cd3 O18 2.022(19) .
Cd3 O20 2.06(2) .
Cd3 Cd4 3.021(5) .
Cd4 O5 1.947(18) .
Cd4 O6 1.962(17) .
Cd4 O7 1.977(16) .
Cd4 O8 1.990(17) .
Cd4 O23 2.01(2) .
Cd4 O21 2.063(18) .
Cd4 Cd5 3.031(4) .
Cd5 O7 1.918(18) .
Cd5 O10 1.958(16) .
Cd5 O9 1.992(18) .
Cd5 O8 1.994(17) .
Cd5 O12 2.02(2) 3_656
Cd5 O24 2.05(2) .
Cd5 Cd1 3.032(4) 3_656
Fe1 C14 2.005(15) .
Fe1 C18 2.010(18) .
Fe1 C15 2.018(17) .
Fe1 C17 2.02(2) .
Fe1 C16 2.024(16) .
Fe1 C20 2.058(15) .
Fe1 C21 2.06(2) .
Fe1 C22 2.06(2) .
Fe1 C19 2.064(16) .
Fe1 C23 2.06(2) .
Fe2 C35 2.037(16) .
Fe2 C41 2.034(19) .
Fe2 C40 2.048(16) .
Fe2 C36 2.048(17) .
Fe2 C34 2.052(16) .
Fe2 C37 2.054(17) .
Fe2 C38 2.06(2) .
Fe2 C42 2.055(18) .
Fe2 C43 2.072(19) .
Fe2 C39 2.082(17) .
Fe3 C60 1.918(12) .
Fe3 C59 1.989(13) .
Fe3 C54 2.015(11) .
Fe3 C61 2.028(19) .
Fe3 C58 2.032(18) .
Fe3 C55 2.032(16) .
Fe3 C56 2.035(16) .
Fe3 C57 2.051(17) .
Fe3 C63 2.095(18) .
Fe3 C62 2.11(2) .
Fe4 C79 2.020(16) .
Fe4 C83 2.028(18) .
Fe4 C82 2.035(19) .
Fe4 C80 2.030(17) .
Fe4 C77 2.037(16) .
Fe4 C81 2.040(18) .
Fe4 C76 2.038(17) .
Fe4 C78 2.052(17) .
Fe4 C75 2.052(16) .
Fe4 C74 2.064(13) .
Fe5 C94 2.005(13) .
Fe5 C102 2.02(2) .
Fe5 C98 2.02(2) .
Fe5 C95 2.025(13) .
Fe5 C101 2.033(17) .
Fe5 C103 2.04(2) .
Fe5 C97 2.04(2) .
Fe5 C100 2.049(16) .
Fe5 C96 2.054(18) .
Fe5 C99 2.052(13) .
O1 C1 1.40(2) .
O1 H1 0.9800 .
O2 C2 1.38(3) .
O3 C3 1.39(3) .
O4 C4 1.41(3) .
O4 H4 0.9800 .
O5 C5 1.40(3) .
O5 H5 0.9800 .
O6 C6 1.39(3) .
O7 C7 1.39(3) .
O8 C8 1.40(3) .
O8 H8 0.9800 .
O9 C9 1.39(2) .
O9 Cd1 2.010(18) 3_656
O9 H9 0.9800 .
O10 C10 1.39(3) .
O10 Cd1 2.012(15) 3_656
O11 C11 1.21(4) .
O12 C11 1.31(3) .
O12 Cd5 2.02(2) 3_656
O13 C24 1.22(3) .
O14 C31 1.28(3) .
O15 C31 1.25(4) .
O16 C44 1.22(2) .
O17 C51 1.24(4) .
O18 C51 1.28(4) .
O19 C64 1.23(2) .
O20 C71 1.23(4) .
O21 C71 1.25(3) .
O22 C84 1.23(2) .
O23 C91 1.26(4) .
O24 C91 1.27(3) .
O25 C104 1.23(3) .
N1 C24 1.33(3) .
N1 C12 1.42(4) .
N1 H1N 0.8600 .
N2 C44 1.30(2) .
N2 C32 1.41(4) .
N2 H2N 0.8600 .
N3 C64 1.33(2) .
N3 C52 1.42(4) .
N3 H3N 0.8600 .
N4 C84 1.327(18) .
N4 C72 1.38(3) .
N4 H4N 0.8600 .
N5 C104 1.34(3) .
N5 C92 1.35(4) .
N5 H5N 0.8600 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 C12 1.52(5) .
C12 C13 1.27(5) .
C13 C14 1.48(4) .
C13 H13 0.9300 .
C14 C18 1.41(3) .
C14 C15 1.412(18) .
C15 C16 1.40(2) .
C15 H15 0.9800 .
C16 C17 1.41(3) .
C16 H16 0.9800 .
C17 C18 1.40(2) .
C17 H17 0.9800 .
C18 H18 0.9800 .
C19 C20 1.41(3) .
C19 C23 1.41(2) .
C19 H19 0.9800 .
C20 C21 1.41(3) .
C20 H20 0.9800 .
C21 C22 1.40(2) .
C21 H21 0.9800 .
C22 C23 1.40(3) .
C22 H22 0.9800 .
C23 H23 0.9800 .
C24 C25 1.49(2) .
C25 C26 1.370(17) .
C25 C30 1.37(2) .
C26 C27 1.38(3) .
C26 H26 0.9300 .
C27 C28 1.38(2) .
C27 H27 0.9300 .
C28 C29 1.36(3) .
C28 H28 0.9300 .
C29 C30 1.37(3) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.47(5) .
C32 C33 1.34(4) .
C33 C34 1.45(4) .
C33 H33 0.9300 .
C34 C38 1.41(2) .
C34 C35 1.41(3) .
C35 C36 1.40(2) .
C35 H35 0.9800 .
C36 C37 1.40(3) .
C36 H36 0.9800 .
C37 C38 1.40(3) .
C37 H37 0.9800 .
C38 H38 0.9800 .
C39 C43 1.40(2) .
C39 C40 1.40(3) .
C39 H39 0.9800 .
C40 C41 1.40(2) .
C40 H40 0.9800 .
C41 C42 1.40(2) .
C41 H41 0.9800 .
C42 C43 1.40(3) .
C42 H42 0.9800 .
C43 H43 0.9800 .
C44 C45 1.472(16) .
C45 C50 1.376(17) .
C45 C46 1.385(14) .
C46 C47 1.39(2) .
C46 H46 0.9300 .
C47 C48 1.371(19) .
C47 H47 0.9300 .
C48 C49 1.38(2) .
C48 H48 0.9300 .
C49 C50 1.39(3) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C52 1.49(3) .
C52 C53 1.32(5) .
C53 C54 1.49(3) .
C53 H53 0.9300 .
C54 C55 1.41(2) .
C54 C58 1.41(2) .
C55 C56 1.41(2) .
C55 H55 0.9800 .
C56 C57 1.40(3) .
C56 H56 0.9800 .
C57 C58 1.42(2) .
C57 H57 0.9800 .
C58 H58 0.9800 .
C59 C60 1.41(3) .
C59 C63 1.41(2) .
C59 H59 0.9800 .
C60 C61 1.39(3) .
C60 H60 0.9800 .
C61 C62 1.40(2) .
C61 H61 0.9800 .
C62 C63 1.40(3) .
C62 H62 0.9800 .
C63 H63 0.9800 .
C64 C65 1.486(18) .
C65 C66 1.375(16) .
C65 C70 1.38(2) .
C66 C67 1.38(2) .
C66 H66 0.9300 .
C67 C68 1.37(3) .
C67 H67 0.9300 .
C68 C69 1.38(2) .
C68 H68 0.9300 .
C69 C70 1.38(3) .
C69 H69 0.9300 .
C70 H70 0.9300 .
C71 C72 1.49(4) .
C72 C73 1.41(5) .
C73 C74 1.48(4) .
C73 H73 0.9300 .
C74 C75 1.40(2) .
C74 C78 1.41(2) .
C75 C76 1.41(2) .
C75 H75 0.9800 .
C76 C77 1.40(3) .
C76 H76 0.9800 .
C77 C78 1.41(3) .
C77 H77 0.9800 .
C78 H78 0.9800 .
C79 C83 1.40(3) .
C79 C80 1.41(2) .
C79 H79 0.9800 .
C80 C81 1.41(3) .
C80 H80 0.9800 .
C81 C82 1.41(3) .
C81 H81 0.9800 .
C82 C83 1.40(3) .
C82 H82 0.9800 .
C83 H83 0.9800 .
C84 C85 1.491(17) .
C85 C90 1.37(3) .
C85 C86 1.38(2) .
C86 C87 1.376(17) .
C86 H86 0.9300 .
C87 C88 1.37(3) .
C87 H87 0.9300 .
C88 C89 1.37(3) .
C88 H88 0.9300 .
C89 C90 1.38(2) .
C89 H89 0.9300 .
C90 H90 0.9300 .
C91 C92 1.52(5) .
C92 C93 1.35(4) .
C93 C94 1.47(4) .
C93 H93 0.9300 .
C94 C95 1.40(2) .
C94 C98 1.413(17) .
C95 C96 1.414(18) .
C95 H95 0.9800 .
C96 C97 1.40(2) .
C96 H96 0.9800 .
C97 C98 1.41(3) .
C97 H97 0.9800 .
C98 H98 0.9800 .
C99 C103 1.40(2) .
C99 C100 1.405(15) .
C99 H99 0.9800 .
C100 C101 1.40(2) .
C100 H100 0.9800 .
C101 C102 1.41(2) .
C101 H101 0.9800 .
C102 C103 1.40(2) .
C102 H102 0.9800 .
C103 H103 0.9800 .
C104 C105 1.482(16) .
C105 C106 1.37(3) .
C105 C110 1.38(3) .
C106 C107 1.377(19) .
C106 H106 0.9300 .
C107 C108 1.38(3) .
C107 H107 0.9300 .
C108 C109 1.38(3) .
C108 H108 0.9300 .
C109 C110 1.37(3) .
C109 H109 0.9300 .
C110 H110 0.9300 .
O26 C111 1.40(4) .
O26 H26A 0.8200 .
O27 C112 1.41(3) .
O27 H27A 0.8200 .
O28 H28C 0.8499 .
O28 H28D 0.8498 .
O29 H29C 0.8499 .
O29 H29D 0.8501 .
O30 H30C 0.8500 .
O30 H30D 0.8500 .
O31 C113 1.41(4) .
O31 H31 0.8200 .
O32 H32C 0.8500 .
O32 H32D 0.8499 .
C112 H11A 0.9600 .
C112 H11B 0.9600 .
C112 H11C 0.9600 .
C111 H11D 0.9600 .
C111 H11E 0.9600 .
C111 H11F 0.9600 .
C113 H11G 0.9600 .
C113 H11H 0.9600 .
C113 H11I 0.9600 .
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_4
O1 Cd1 Cd2 O2 153.9(12) . .
O10 Cd1 Cd2 O2 75.5(10) 3_656 .
O9 Cd1 Cd2 O2 -18.6(11) 3_656 .
O11 Cd1 Cd2 O2 -175.7(13) . .
O14 Cd1 Cd2 O2 -103.5(12) . .
Cd5 Cd1 Cd2 O2 46.2(9) 3_656 .
O2 Cd1 Cd2 O3 -72.0(10) . .
O1 Cd1 Cd2 O3 82.0(10) . .
O10 Cd1 Cd2 O3 3.6(8) 3_656 .
O9 Cd1 Cd2 O3 -90.5(9) 3_656 .
O11 Cd1 Cd2 O3 112.3(11) . .
O14 Cd1 Cd2 O3 -175.5(10) . .
Cd5 Cd1 Cd2 O3 -25.8(7) 3_656 .
O2 Cd1 Cd2 O4 22.5(11) . .
O1 Cd1 Cd2 O4 176.4(11) . .
O10 Cd1 Cd2 O4 98.0(9) 3_656 .
O9 Cd1 Cd2 O4 3.9(10) 3_656 .
O11 Cd1 Cd2 O4 -153.3(12) . .
O14 Cd1 Cd2 O4 -81.0(11) . .
Cd5 Cd1 Cd2 O4 68.6(8) 3_656 .
O2 Cd1 Cd2 O1 -153.9(12) . .
O10 Cd1 Cd2 O1 -78.4(10) 3_656 .
O9 Cd1 Cd2 O1 -172.5(11) 3_656 .
O11 Cd1 Cd2 O1 30.4(12) . .
O14 Cd1 Cd2 O1 102.6(11) . .
Cd5 Cd1 Cd2 O1 -107.7(9) 3_656 .
O2 Cd1 Cd2 O15 105.3(11) . .
O1 Cd1 Cd2 O15 -100.8(11) . .
O10 Cd1 Cd2 O15 -179.2(9) 3_656 .
O9 Cd1 Cd2 O15 86.7(10) 3_656 .
O11 Cd1 Cd2 O15 -70.4(12) . .
O14 Cd1 Cd2 O15 1.8(11) . .
Cd5 Cd1 Cd2 O15 151.5(8) 3_656 .
O2 Cd1 Cd2 O17 179.4(12) . .
O1 Cd1 Cd2 O17 -26.7(11) . .
O10 Cd1 Cd2 O17 -105.1(10) 3_656 .
O9 Cd1 Cd2 O17 160.8(10) 3_656 .
O11 Cd1 Cd2 O17 3.7(13) . .
O14 Cd1 Cd2 O17 75.9(11) . .
Cd5 Cd1 Cd2 O17 -134.4(8) 3_656 .
O2 Cd1 Cd2 Cd3 -42.1(9) . .
O1 Cd1 Cd2 Cd3 111.8(9) . .
O10 Cd1 Cd2 Cd3 33.5(7) 3_656 .
O9 Cd1 Cd2 Cd3 -60.6(8) 3_656 .
O11 Cd1 Cd2 Cd3 142.2(9) . .
O14 Cd1 Cd2 Cd3 -145.6(8) . .
Cd5 Cd1 Cd2 Cd3 4.1(5) 3_656 .
O2 Cd2 Cd3 O6 -0.9(9) . .
O3 Cd2 Cd3 O6 72.9(9) . .
O4 Cd2 Cd3 O6 -80.4(9) . .
O1 Cd2 Cd3 O6 92.7(9) . .
O15 Cd2 Cd3 O6 -110.5(10) . .
O17 Cd2 Cd3 O6 175.1(9) . .
Cd1 Cd2 Cd3 O6 26.0(7) . .
O2 Cd2 Cd3 O3 -73.8(9) . .
O4 Cd2 Cd3 O3 -153.3(10) . .
O1 Cd2 Cd3 O3 19.8(10) . .
O15 Cd2 Cd3 O3 176.6(11) . .
O17 Cd2 Cd3 O3 102.1(10) . .
Cd1 Cd2 Cd3 O3 -46.9(8) . .
O2 Cd2 Cd3 O5 -95.2(9) . .
O3 Cd2 Cd3 O5 -21.3(10) . .
O4 Cd2 Cd3 O5 -174.7(9) . .
O1 Cd2 Cd3 O5 -1.5(9) . .
O15 Cd2 Cd3 O5 155.3(11) . .
O17 Cd2 Cd3 O5 80.8(9) . .
Cd1 Cd2 Cd3 O5 -68.3(7) . .
O2 Cd2 Cd3 O4 79.5(9) . .
O3 Cd2 Cd3 O4 153.3(10) . .
O1 Cd2 Cd3 O4 173.1(9) . .
O15 Cd2 Cd3 O4 -30.0(11) . .
O17 Cd2 Cd3 O4 -104.5(9) . .
Cd1 Cd2 Cd3 O4 106.4(7) . .
O2 Cd2 Cd3 O18 -178.0(9) . .
O3 Cd2 Cd3 O18 -104.1(10) . .
O4 Cd2 Cd3 O18 102.5(9) . .
O1 Cd2 Cd3 O18 -84.4(9) . .
O15 Cd2 Cd3 O18 72.5(11) . .
O17 Cd2 Cd3 O18 -2.0(9) . .
Cd1 Cd2 Cd3 O18 -151.1(7) . .
O2 Cd2 Cd3 O20 104.4(9) . .
O3 Cd2 Cd3 O20 178.2(10) . .
O4 Cd2 Cd3 O20 24.9(9) . .
O1 Cd2 Cd3 O20 -162.0(9) . .
O15 Cd2 Cd3 O20 -5.1(11) . .
O17 Cd2 Cd3 O20 -79.6(9) . .
Cd1 Cd2 Cd3 O20 131.3(7) . .
O2 Cd2 Cd3 Cd4 -31.8(7) . .
O3 Cd2 Cd3 Cd4 42.0(8) . .
O4 Cd2 Cd3 Cd4 -111.3(7) . .
O1 Cd2 Cd3 Cd4 61.8(7) . .
O15 Cd2 Cd3 Cd4 -141.4(9) . .
O17 Cd2 Cd3 Cd4 144.1(7) . .
Cd1 Cd2 Cd3 Cd4 -4.9(5) . .
O6 Cd3 Cd4 O5 -152.6(12) . .
O3 Cd3 Cd4 O5 -77.7(10) . .
O4 Cd3 Cd4 O5 -172.8(11) . .
O18 Cd3 Cd4 O5 30.8(12) . .
O20 Cd3 Cd4 O5 108.5(10) . .
Cd2 Cd3 Cd4 O5 -104.7(9) . .
O3 Cd3 Cd4 O6 74.9(10) . .
O5 Cd3 Cd4 O6 152.6(12) . .
O4 Cd3 Cd4 O6 -20.2(11) . .
O18 Cd3 Cd4 O6 -176.5(12) . .
O20 Cd3 Cd4 O6 -98.8(10) . .
Cd2 Cd3 Cd4 O6 47.9(9) . .
O6 Cd3 Cd4 O7 -72.9(10) . .
O3 Cd3 Cd4 O7 2.0(8) . .
O5 Cd3 Cd4 O7 79.8(10) . .
O4 Cd3 Cd4 O7 -93.1(9) . .
O18 Cd3 Cd4 O7 110.6(10) . .
O20 Cd3 Cd4 O7 -171.7(8) . .
Cd2 Cd3 Cd4 O7 -25.0(7) . .
O6 Cd3 Cd4 O8 19.9(11) . .
O3 Cd3 Cd4 O8 94.8(9) . .
O5 Cd3 Cd4 O8 172.6(11) . .
O4 Cd3 Cd4 O8 -0.3(10) . .
O18 Cd3 Cd4 O8 -156.6(11) . .
O20 Cd3 Cd4 O8 -78.9(9) . .
Cd2 Cd3 Cd4 O8 67.8(8) . .
O6 Cd3 Cd4 O23 178.1(12) . .
O3 Cd3 Cd4 O23 -107.0(10) . .
O5 Cd3 Cd4 O23 -29.3(12) . .
O4 Cd3 Cd4 O23 157.9(11) . .
O18 Cd3 Cd4 O23 1.6(13) . .
O20 Cd3 Cd4 O23 79.3(11) . .
Cd2 Cd3 Cd4 O23 -134.0(9) . .
O6 Cd3 Cd4 O21 102.2(10) . .
O3 Cd3 Cd4 O21 177.1(8) . .
O5 Cd3 Cd4 O21 -105.2(10) . .
O4 Cd3 Cd4 O21 82.0(9) . .
O18 Cd3 Cd4 O21 -74.3(10) . .
O20 Cd3 Cd4 O21 3.4(8) . .
Cd2 Cd3 Cd4 O21 150.1(6) . .
O6 Cd3 Cd4 Cd5 -44.9(9) . .
O3 Cd3 Cd4 Cd5 30.0(7) . .
O5 Cd3 Cd4 Cd5 107.7(9) . .
O4 Cd3 Cd4 Cd5 -65.1(8) . .
O18 Cd3 Cd4 Cd5 138.6(9) . .
O20 Cd3 Cd4 Cd5 -143.7(6) . .
Cd2 Cd3 Cd4 Cd5 3.0(5) . .
O5 Cd4 Cd5 O7 19.1(11) . .
O6 Cd4 Cd5 O7 -73.3(11) . .
O8 Cd4 Cd5 O7 -152.8(12) . .
O23 Cd4 Cd5 O7 103.0(11) . .
O21 Cd4 Cd5 O7 179.3(12) . .
Cd3 Cd4 Cd5 O7 -44.8(9) . .
O5 Cd4 Cd5 O10 94.1(10) . .
O6 Cd4 Cd5 O10 1.6(9) . .
O7 Cd4 Cd5 O10 74.9(11) . .
O8 Cd4 Cd5 O10 -77.9(10) . .
O23 Cd4 Cd5 O10 177.9(10) . .
O21 Cd4 Cd5 O10 -105.7(10) . .
Cd3 Cd4 Cd5 O10 30.2(7) . .
O5 Cd4 Cd5 O9 -2.1(11) . .
O6 Cd4 Cd5 O9 -94.6(9) . .
O7 Cd4 Cd5 O9 -21.2(11) . .
O8 Cd4 Cd5 O9 -174.1(11) . .
O23 Cd4 Cd5 O9 81.8(10) . .
O21 Cd4 Cd5 O9 158.1(10) . .
Cd3 Cd4 Cd5 O9 -66.0(8) . .
O5 Cd4 Cd5 O8 172.0(11) . .
O6 Cd4 Cd5 O8 79.5(10) . .
O7 Cd4 Cd5 O8 152.8(12) . .
O23 Cd4 Cd5 O8 -104.2(11) . .
O21 Cd4 Cd5 O8 -27.8(11) . .
Cd3 Cd4 Cd5 O8 108.1(9) . .
O5 Cd4 Cd5 O12 -155.2(12) . 3_656
O6 Cd4 Cd5 O12 112.3(11) . 3_656
O7 Cd4 Cd5 O12 -174.4(13) . 3_656
O8 Cd4 Cd5 O12 32.8(12) . 3_656
O23 Cd4 Cd5 O12 -71.4(12) . 3_656
O21 Cd4 Cd5 O12 5.0(12) . 3_656
Cd3 Cd4 Cd5 O12 140.9(9) . 3_656
O5 Cd4 Cd5 O24 -82.5(11) . .
O6 Cd4 Cd5 O24 -174.9(10) . .
O7 Cd4 Cd5 O24 -101.6(12) . .
O8 Cd4 Cd5 O24 105.6(11) . .
O23 Cd4 Cd5 O24 1.4(10) . .
O21 Cd4 Cd5 O24 77.8(11) . .
Cd3 Cd4 Cd5 O24 -146.3(8) . .
O5 Cd4 Cd5 Cd1 62.8(8) . 3_656
O6 Cd4 Cd5 Cd1 -29.6(7) . 3_656
O7 Cd4 Cd5 Cd1 43.7(9) . 3_656
O8 Cd4 Cd5 Cd1 -109.1(9) . 3_656
O23 Cd4 Cd5 Cd1 146.7(8) . 3_656
O21 Cd4 Cd5 Cd1 -136.9(8) . 3_656
Cd3 Cd4 Cd5 Cd1 -1.0(5) . 3_656
O2 Cd1 O1 C1 165(3) . .
O10 Cd1 O1 C1 -99(2) 3_656 .
O9 Cd1 O1 C1 -145(9) 3_656 .
O11 Cd1 O1 C1 -9(3) . .
O14 Cd1 O1 C1 75(3) . .
Cd2 Cd1 O1 C1 149(3) . .
Cd5 Cd1 O1 C1 -88(2) 3_656 .
O2 Cd1 O1 Cd2 16.5(7) . .
O10 Cd1 O1 Cd2 112.0(8) 3_656 .
O9 Cd1 O1 Cd2 66(9) 3_656 .
O11 Cd1 O1 Cd2 -158.0(8) . .
O14 Cd1 O1 Cd2 -73.5(10) . .
Cd5 Cd1 O1 Cd2 123.6(7) 3_656 .
O2 Cd2 O1 C1 -166(3) . .
O3 Cd2 O1 C1 100(3) . .
O4 Cd2 O1 C1 176(10) . .
O15 Cd2 O1 C1 -75(3) . .
O17 Cd2 O1 C1 10(3) . .
Cd1 Cd2 O1 C1 -150(3) . .
Cd3 Cd2 O1 C1 87(3) . .
O2 Cd2 O1 Cd1 -16.6(7) . .
O3 Cd2 O1 Cd1 -110.3(8) . .
O4 Cd2 O1 Cd1 -34(11) . .
O15 Cd2 O1 Cd1 74.6(9) . .
O17 Cd2 O1 Cd1 160.0(8) . .
Cd3 Cd2 O1 Cd1 -123.0(7) . .
O3 Cd2 O2 C2 -113(2) . .
O4 Cd2 O2 C2 -35(2) . .
O1 Cd2 O2 C2 146(2) . .
O15 Cd2 O2 C2 58(2) . .
O17 Cd2 O2 C2 127(5) . .
Cd1 Cd2 O2 C2 129(2) . .
Cd3 Cd2 O2 C2 -75(2) . .
O3 Cd2 O2 Cd1 117.5(8) . .
O4 Cd2 O2 Cd1 -164.5(8) . .
O1 Cd2 O2 Cd1 16.9(8) . .
O15 Cd2 O2 Cd1 -71.1(10) . .
O17 Cd2 O2 Cd1 -2(5) . .
Cd3 Cd2 O2 Cd1 155.2(5) . .
O1 Cd1 O2 C2 -148.0(18) . .
O10 Cd1 O2 C2 115.0(17) 3_656 .
O9 Cd1 O2 C2 36.3(18) 3_656 .
O11 Cd1 O2 C2 -111(6) . .
O14 Cd1 O2 C2 -58.2(18) . .
Cd2 Cd1 O2 C2 -131(2) . .
Cd5 Cd1 O2 C2 76.7(17) 3_656 .
O1 Cd1 O2 Cd2 -17.0(8) . .
O10 Cd1 O2 Cd2 -114.0(8) 3_656 .
O9 Cd1 O2 Cd2 167.3(7) 3_656 .
O11 Cd1 O2 Cd2 20(6) . .
O14 Cd1 O2 Cd2 72.8(9) . .
Cd5 Cd1 O2 Cd2 -152.3(5) 3_656 .
O2 Cd2 O3 C3 -107.0(19) . .
O4 Cd2 O3 C3 155(2) . .
O1 Cd2 O3 C3 -29(2) . .
O15 Cd2 O3 C3 124(5) . .
O17 Cd2 O3 C3 64(2) . .
Cd1 Cd2 O3 C3 -69.8(19) . .
Cd3 Cd2 O3 C3 138(2) . .
O2 Cd2 O3 Cd3 115.3(8) . .
O4 Cd2 O3 Cd3 17.4(7) . .
O1 Cd2 O3 Cd3 -167.0(7) . .
O15 Cd2 O3 Cd3 -14(5) . .
O17 Cd2 O3 Cd3 -73.7(9) . .
Cd1 Cd2 O3 Cd3 152.5(4) . .
O6 Cd3 O3 C3 104(2) . .
O5 Cd3 O3 C3 27(2) . .
O4 Cd3 O3 C3 -156(2) . .
O18 Cd3 O3 C3 -66(2) . .
O20 Cd3 O3 C3 -145(3) . .
Cd4 Cd3 O3 C3 66(2) . .
Cd2 Cd3 O3 C3 -138(2) . .
O6 Cd3 O3 Cd2 -117.4(8) . .
O5 Cd3 O3 Cd2 165.4(7) . .
O4 Cd3 O3 Cd2 -17.3(7) . .
O18 Cd3 O3 Cd2 71.9(9) . .
O20 Cd3 O3 Cd2 -7(4) . .
Cd4 Cd3 O3 Cd2 -155.8(4) . .
O2 Cd2 O4 C4 95.3(19) . .
O3 Cd2 O4 C4 -170(2) . .
O1 Cd2 O4 C4 113(11) . .
O15 Cd2 O4 C4 4(2) . .
O17 Cd2 O4 C4 -82(2) . .
Cd1 Cd2 O4 C4 81.1(19) . .
Cd3 Cd2 O4 C4 -153(2) . .
O2 Cd2 O4 Cd3 -111.3(7) . .
O3 Cd2 O4 Cd3 -16.9(6) . .
O1 Cd2 O4 Cd3 -94(11) . .
O15 Cd2 O4 Cd3 157.4(7) . .
O17 Cd2 O4 Cd3 71.9(8) . .
Cd1 Cd2 O4 Cd3 -125.5(6) . .
O6 Cd3 O4 C4 -95(2) . .
O3 Cd3 O4 C4 170(2) . .
O5 Cd3 O4 C4 -156(10) . .
O18 Cd3 O4 C4 80(2) . .
O20 Cd3 O4 C4 -8(2) . .
Cd4 Cd3 O4 C4 -82(2) . .
Cd2 Cd3 O4 C4 153(3) . .
O6 Cd3 O4 Cd2 112.2(8) . .
O3 Cd3 O4 Cd2 16.9(6) . .
O5 Cd3 O4 Cd2 51(10) . .
O18 Cd3 O4 Cd2 -73.1(8) . .
O20 Cd3 O4 Cd2 -160.9(7) . .
Cd4 Cd3 O4 Cd2 125.2(7) . .
O6 Cd4 O5 C5 178(3) . .
O7 Cd4 O5 C5 84(3) . .
O8 Cd4 O5 C5 135(8) . .
O23 Cd4 O5 C5 -6(3) . .
O21 Cd4 O5 C5 -93(3) . .
Cd3 Cd4 O5 C5 -164(3) . .
Cd5 Cd4 O5 C5 72(3) . .
O6 Cd4 O5 Cd3 -17.4(7) . .
O7 Cd4 O5 Cd3 -111.7(8) . .
O8 Cd4 O5 Cd3 -60(8) . .
O23 Cd4 O5 Cd3 157.9(9) . .
O21 Cd4 O5 Cd3 71.4(9) . .
Cd5 Cd4 O5 Cd3 -123.6(6) . .
O6 Cd3 O5 C5 -178(3) . .
O3 Cd3 O5 C5 -82(3) . .
O4 Cd3 O5 C5 -116(10) . .
O18 Cd3 O5 C5 8(3) . .
O20 Cd3 O5 C5 96(3) . .
Cd4 Cd3 O5 C5 164(3) . .
Cd2 Cd3 O5 C5 -69(3) . .
O6 Cd3 O5 Cd4 17.6(8) . .
O3 Cd3 O5 Cd4 113.3(8) . .
O4 Cd3 O5 Cd4 80(10) . .
O18 Cd3 O5 Cd4 -156.4(9) . .
O20 Cd3 O5 Cd4 -68.4(8) . .
Cd2 Cd3 O5 Cd4 126.7(6) . .
O3 Cd3 O6 C6 95(4) . .
O5 Cd3 O6 C6 -167(4) . .
O4 Cd3 O6 C6 18(4) . .
O18 Cd3 O6 C6 -136(5) . .
O20 Cd3 O6 C6 -73(4) . .
Cd4 Cd3 O6 C6 -149(4) . .
Cd2 Cd3 O6 C6 58(4) . .
O3 Cd3 O6 Cd4 -115.4(8) . .
O5 Cd3 O6 Cd4 -17.4(8) . .
O4 Cd3 O6 Cd4 166.8(8) . .
O18 Cd3 O6 Cd4 13(5) . .
O20 Cd3 O6 Cd4 75.9(9) . .
Cd2 Cd3 O6 Cd4 -152.7(5) . .
O5 Cd4 O6 C6 170(3) . .
O7 Cd4 O6 C6 -91(3) . .
O8 Cd4 O6 C6 -14(3) . .
O23 Cd4 O6 C6 145(5) . .
O21 Cd4 O6 C6 79(3) . .
Cd3 Cd4 O6 C6 152(3) . .
Cd5 Cd4 O6 C6 -54(3) . .
O5 Cd4 O6 Cd3 17.7(8) . .
O7 Cd4 O6 Cd3 116.7(8) . .
O8 Cd4 O6 Cd3 -166.4(7) . .
O23 Cd4 O6 Cd3 -8(5) . .
O21 Cd4 O6 Cd3 -73.7(9) . .
Cd5 Cd4 O6 Cd3 153.3(5) . .
O10 Cd5 O7 C7 115(2) . .
O9 Cd5 O7 C7 35(2) . .
O8 Cd5 O7 C7 -148(2) . .
O12 Cd5 O7 C7 -105(5) 3_656 .
O24 Cd5 O7 C7 -56(2) . .
Cd4 Cd5 O7 C7 -130(3) . .
Cd1 Cd5 O7 C7 76(2) 3_656 .
O10 Cd5 O7 Cd4 -114.4(8) . .
O9 Cd5 O7 Cd4 165.3(8) . .
O8 Cd5 O7 Cd4 -17.7(8) . .
O12 Cd5 O7 Cd4 25(6) 3_656 .
O24 Cd5 O7 Cd4 74.0(9) . .
Cd1 Cd5 O7 Cd4 -154.2(5) 3_656 .
O5 Cd4 O7 C7 -31(2) . .
O6 Cd4 O7 C7 -109(2) . .
O8 Cd4 O7 C7 154(3) . .
O23 Cd4 O7 C7 62(2) . .
O21 Cd4 O7 C7 133(4) . .
Cd3 Cd4 O7 C7 -71(2) . .
Cd5 Cd4 O7 C7 136(3) . .
O5 Cd4 O7 Cd5 -166.9(8) . .
O6 Cd4 O7 Cd5 115.7(8) . .
O8 Cd4 O7 Cd5 17.8(8) . .
O23 Cd4 O7 Cd5 -73.5(9) . .
O21 Cd4 O7 Cd5 -3(4) . .
Cd3 Cd4 O7 Cd5 153.2(5) . .
O5 Cd4 O8 C8 138(8) . .
O6 Cd4 O8 C8 96(3) . .
O7 Cd4 O8 C8 -170(3) . .
O23 Cd4 O8 C8 -80(3) . .
O21 Cd4 O8 C8 6(3) . .
Cd3 Cd4 O8 C8 83(3) . .
Cd5 Cd4 O8 C8 -153(3) . .
O5 Cd4 O8 Cd5 -69(8) . .
O6 Cd4 O8 Cd5 -111.4(8) . .
O7 Cd4 O8 Cd5 -16.9(8) . .
O23 Cd4 O8 Cd5 72.6(9) . .
O21 Cd4 O8 Cd5 159.0(8) . .
Cd3 Cd4 O8 Cd5 -124.0(6) . .
O7 Cd5 O8 C8 170(3) . .
O10 Cd5 O8 C8 -95(3) . .
O9 Cd5 O8 C8 -156(8) . .
O12 Cd5 O8 C8 -4(3) 3_656 .
O24 Cd5 O8 C8 81(3) . .
Cd4 Cd5 O8 C8 152(3) . .
Cd1 Cd5 O8 C8 -84(3) 3_656 .
O7 Cd5 O8 Cd4 17.4(8) . .
O10 Cd5 O8 Cd4 112.4(8) . .
O9 Cd5 O8 Cd4 52(9) . .
O12 Cd5 O8 Cd4 -155.8(9) 3_656 .
O24 Cd5 O8 Cd4 -71.0(10) . .
Cd1 Cd5 O8 Cd4 124.0(6) 3_656 .
O7 Cd5 O9 C9 -104(3) . .
O10 Cd5 O9 C9 161(3) . .
O8 Cd5 O9 C9 -138(8) . .
O12 Cd5 O9 C9 70(3) 3_656 .
O24 Cd5 O9 C9 -15(3) . .
Cd4 Cd5 O9 C9 -90(3) . .
Cd1 Cd5 O9 C9 144(3) 3_656 .
O7 Cd5 O9 Cd1 111.8(9) . 3_656
O10 Cd5 O9 Cd1 16.6(8) . 3_656
O8 Cd5 O9 Cd1 78(9) . 3_656
O12 Cd5 O9 Cd1 -74.7(10) 3_656 3_656
O24 Cd5 O9 Cd1 -159.4(10) . 3_656
Cd4 Cd5 O9 Cd1 125.3(7) . 3_656
O7 Cd5 O10 C10 108.0(19) . .
O9 Cd5 O10 C10 -155(2) . .
O8 Cd5 O10 C10 30(2) . .
O12 Cd5 O10 C10 -65(2) 3_656 .
O24 Cd5 O10 C10 -131(5) . .
Cd4 Cd5 O10 C10 69.7(19) . .
Cd1 Cd5 O10 C10 -138(2) 3_656 .
O7 Cd5 O10 Cd1 -113.8(8) . 3_656
O9 Cd5 O10 Cd1 -16.6(9) . 3_656
O8 Cd5 O10 Cd1 168.1(8) . 3_656
O12 Cd5 O10 Cd1 72.8(9) 3_656 3_656
O24 Cd5 O10 Cd1 8(6) . 3_656
Cd4 Cd5 O10 Cd1 -152.1(5) . 3_656
O2 Cd1 O11 C11 -174(5) . .
O1 Cd1 O11 C11 -138(3) . .
O10 Cd1 O11 C11 -40(3) 3_656 .
O9 Cd1 O11 C11 38(3) 3_656 .
O14 Cd1 O11 C11 133(3) . .
Cd2 Cd1 O11 C11 -157(3) . .
Cd5 Cd1 O11 C11 -1(3) 3_656 .
O2 Cd1 O14 C31 -43(3) . .
O1 Cd1 O14 C31 34(3) . .
O10 Cd1 O14 C31 180(100) 3_656 .
O9 Cd1 O14 C31 -142(3) 3_656 .
O11 Cd1 O14 C31 130(3) . .
Cd2 Cd1 O14 C31 -5(3) . .
Cd5 Cd1 O14 C31 -162(3) 3_656 .
O2 Cd2 O15 C31 38(3) . .
O3 Cd2 O15 C31 168(4) . .
O4 Cd2 O15 C31 137(3) . .
O1 Cd2 O15 C31 -38(3) . .
O17 Cd2 O15 C31 -132(3) . .
Cd1 Cd2 O15 C31 1(3) . .
Cd3 Cd2 O15 C31 156(3) . .
O2 Cd2 O17 C51 166(4) . .
O3 Cd2 O17 C51 45(3) . .
O4 Cd2 O17 C51 -32(3) . .
O1 Cd2 O17 C51 147(3) . .
O15 Cd2 O17 C51 -125(3) . .
Cd1 Cd2 O17 C51 164(2) . .
Cd3 Cd2 O17 C51 7(3) . .
O6 Cd3 O18 C51 -169(4) . .
O3 Cd3 O18 C51 -39(3) . .
O5 Cd3 O18 C51 -139(3) . .
O4 Cd3 O18 C51 37(3) . .
O20 Cd3 O18 C51 129(3) . .
Cd4 Cd3 O18 C51 -158(2) . .
Cd2 Cd3 O18 C51 -2(3) . .
O6 Cd3 O20 C71 -42(2) . .
O3 Cd3 O20 C71 -154(3) . .
O5 Cd3 O20 C71 34(2) . .
O4 Cd3 O20 C71 -143(2) . .
O18 Cd3 O20 C71 128(2) . .
Cd4 Cd3 O20 C71 -3(2) . .
Cd2 Cd3 O20 C71 -159(2) . .
O5 Cd4 O21 C71 -44(2) . .
O6 Cd4 O21 C71 32(2) . .
O7 Cd4 O21 C71 151(4) . .
O8 Cd4 O21 C71 131(2) . .
O23 Cd4 O21 C71 -138(2) . .
Cd3 Cd4 O21 C71 -6(2) . .
Cd5 Cd4 O21 C71 149(2) . .
O5 Cd4 O23 C91 135(3) . .
O6 Cd4 O23 C91 160(4) . .
O7 Cd4 O23 C91 35(3) . .
O8 Cd4 O23 C91 -41(3) . .
O21 Cd4 O23 C91 -134(3) . .
Cd3 Cd4 O23 C91 154(3) . .
Cd5 Cd4 O23 C91 -2(3) . .
O7 Cd5 O24 C91 -40(3) . .
O10 Cd5 O24 C91 -162(5) . .
O9 Cd5 O24 C91 -138(3) . .
O8 Cd5 O24 C91 37(3) . .
O12 Cd5 O24 C91 132(3) 3_656 .
Cd4 Cd5 O24 C91 -1(3) . .
Cd1 Cd5 O24 C91 -156(3) 3_656 .
Cd1 O11 C11 O12 2(6) . .
Cd1 O11 C11 C12 -171(2) . .
Cd5 O12 C11 O11 -2(6) 3_656 .
Cd5 O12 C11 C12 172(2) 3_656 .
C24 N1 C12 C13 -121(4) . .
C24 N1 C12 C11 63(3) . .
O11 C11 C12 C13 29(5) . .
O12 C11 C12 C13 -146(4) . .
O11 C11 C12 N1 -155(3) . .
O12 C11 C12 N1 31(5) . .
N1 C12 C13 C14 3(7) . .
C11 C12 C13 C14 179(3) . .
C12 C13 C14 C18 17(5) . .
C12 C13 C14 C15 -172(3) . .
C12 C13 C14 Fe1 104(4) . .
C15 Fe1 C14 C18 -119.1(13) . .
C17 Fe1 C14 C18 -37.6(10) . .
C16 Fe1 C14 C18 -81.4(11) . .
C20 Fe1 C14 C18 -167(3) . .
C21 Fe1 C14 C18 54(2) . .
C22 Fe1 C14 C18 85.3(13) . .
C19 Fe1 C14 C18 166.7(11) . .
C23 Fe1 C14 C18 127.1(12) . .
C18 Fe1 C14 C15 119.1(13) . .
C17 Fe1 C14 C15 81.5(11) . .
C16 Fe1 C14 C15 37.6(10) . .
C20 Fe1 C14 C15 -48(3) . .
C21 Fe1 C14 C15 172.6(19) . .
C22 Fe1 C14 C15 -155.6(12) . .
C19 Fe1 C14 C15 -74.2(11) . .
C23 Fe1 C14 C15 -113.9(12) . .
C18 Fe1 C14 C13 -124(2) . .
C15 Fe1 C14 C13 117(2) . .
C17 Fe1 C14 C13 -162(2) . .
C16 Fe1 C14 C13 154(2) . .
C20 Fe1 C14 C13 69(3) . .
C21 Fe1 C14 C13 -71(3) . .
C22 Fe1 C14 C13 -39(2) . .
C19 Fe1 C14 C13 43(2) . .
C23 Fe1 C14 C13 3(2) . .
C18 C14 C15 C16 0.1(8) . .
C13 C14 C15 C16 -173(2) . .
Fe1 C14 C15 C16 -59.4(7) . .
C18 C14 C15 Fe1 59.5(9) . .
C13 C14 C15 Fe1 -113(2) . .
C14 Fe1 C15 C16 119.2(14) . .
C18 Fe1 C15 C16 81.2(11) . .
C17 Fe1 C15 C16 37.4(9) . .
C20 Fe1 C15 C16 -75.2(13) . .
C21 Fe1 C15 C16 -47(4) . .
C22 Fe1 C15 C16 170.7(18) . .
C19 Fe1 C15 C16 -115.0(10) . .
C23 Fe1 C15 C16 -157.0(11) . .
C18 Fe1 C15 C14 -38.0(10) . .
C17 Fe1 C15 C14 -81.8(11) . .
C16 Fe1 C15 C14 -119.2(14) . .
C20 Fe1 C15 C14 165.6(11) . .
C21 Fe1 C15 C14 -166(4) . .
C22 Fe1 C15 C14 52(2) . .
C19 Fe1 C15 C14 125.8(10) . .
C23 Fe1 C15 C14 83.8(12) . .
C14 C15 C16 C17 0.1(8) . .
Fe1 C15 C16 C17 -58.7(8) . .
C14 C15 C16 Fe1 58.8(6) . .
C14 Fe1 C16 C15 -38.0(9) . .
C18 Fe1 C16 C15 -82.3(10) . .
C17 Fe1 C16 C15 -119.9(13) . .
C20 Fe1 C16 C15 125.7(11) . .
C21 Fe1 C16 C15 166.4(12) . .
C22 Fe1 C16 C15 -162(3) . .
C19 Fe1 C16 C15 83.1(11) . .
C23 Fe1 C16 C15 49(2) . .
C14 Fe1 C16 C17 81.9(11) . .
C18 Fe1 C16 C17 37.6(11) . .
C15 Fe1 C16 C17 119.9(13) . .
C20 Fe1 C16 C17 -114.4(12) . .
C21 Fe1 C16 C17 -73.7(14) . .
C22 Fe1 C16 C17 -42(3) . .
C19 Fe1 C16 C17 -157.1(11) . .
C23 Fe1 C16 C17 168.6(18) . .
C15 C16 C17 C18 -0.2(13) . .
Fe1 C16 C17 C18 -58.9(11) . .
C15 C16 C17 Fe1 58.7(7) . .
C14 Fe1 C17 C18 37.9(11) . .
C15 Fe1 C17 C18 82.1(12) . .
C16 Fe1 C17 C18 119.5(16) . .
C20 Fe1 C17 C18 -155.9(13) . .
C21 Fe1 C17 C18 -113.2(13) . .
C22 Fe1 C17 C18 -72.6(15) . .
C19 Fe1 C17 C18 170(2) . .
C23 Fe1 C17 C18 -40(4) . .
C14 Fe1 C17 C16 -81.6(11) . .
C18 Fe1 C17 C16 -119.5(16) . .
C15 Fe1 C17 C16 -37.3(9) . .
C20 Fe1 C17 C16 84.7(13) . .
C21 Fe1 C17 C16 127.4(11) . .
C22 Fe1 C17 C16 168.0(11) . .
C19 Fe1 C17 C16 50(2) . .
C23 Fe1 C17 C16 -160(4) . .
C16 C17 C18 C14 0.2(16) . .
Fe1 C17 C18 C14 -59.0(10) . .
C16 C17 C18 Fe1 59.3(10) . .
C15 C14 C18 C17 -0.2(13) . .
C13 C14 C18 C17 172(2) . .
Fe1 C14 C18 C17 59.5(10) . .
C15 C14 C18 Fe1 -59.7(7) . .
C13 C14 C18 Fe1 112(2) . .
C14 Fe1 C18 C17 -119.3(15) . .
C15 Fe1 C18 C17 -81.4(12) . .
C16 Fe1 C18 C17 -37.6(12) . .
C20 Fe1 C18 C17 53(2) . .
C21 Fe1 C18 C17 85.6(14) . .
C22 Fe1 C18 C17 127.8(14) . .
C19 Fe1 C18 C17 -163(3) . .
C23 Fe1 C18 C17 167.9(15) . .
C15 Fe1 C18 C14 38.0(8) . .
C17 Fe1 C18 C14 119.3(15) . .
C16 Fe1 C18 C14 81.7(10) . .
C20 Fe1 C18 C14 172.1(15) . .
C21 Fe1 C18 C14 -155.0(9) . .
C22 Fe1 C18 C14 -112.9(11) . .
C19 Fe1 C18 C14 -43(4) . .
C23 Fe1 C18 C14 -72.7(14) . .
C14 Fe1 C19 C20 169.4(10) . .
C18 Fe1 C19 C20 -156(3) . .
C15 Fe1 C19 C20 127.7(9) . .
C17 Fe1 C19 C20 50(2) . .
C16 Fe1 C19 C20 84.9(11) . .
C21 Fe1 C19 C20 -37.7(8) . .
C22 Fe1 C19 C20 -81.2(10) . .
C23 Fe1 C19 C20 -118.7(16) . .
C14 Fe1 C19 C23 -71.9(15) . .
C18 Fe1 C19 C23 -38(4) . .
C15 Fe1 C19 C23 -113.5(14) . .
C17 Fe1 C19 C23 168(2) . .
C16 Fe1 C19 C23 -156.4(14) . .
C20 Fe1 C19 C23 118.7(15) . .
C21 Fe1 C19 C23 81.0(14) . .
C22 Fe1 C19 C23 37.6(13) . .
C23 C19 C20 C21 0.0(8) . .
Fe1 C19 C20 C21 59.9(7) . .
C23 C19 C20 Fe1 -59.9(9) . .
C14 Fe1 C20 C19 -34(3) . .
C18 Fe1 C20 C19 166.0(18) . .
C15 Fe1 C20 C19 -71.7(11) . .
C17 Fe1 C20 C19 -157.0(11) . .
C16 Fe1 C20 C19 -113.5(11) . .
C21 Fe1 C20 C19 118.8(12) . .
C22 Fe1 C20 C19 81.1(11) . .
C23 Fe1 C20 C19 37.6(10) . .
C14 Fe1 C20 C21 -153(2) . .
C18 Fe1 C20 C21 47(2) . .
C15 Fe1 C20 C21 169.5(12) . .
C17 Fe1 C20 C21 84.2(13) . .
C16 Fe1 C20 C21 127.7(12) . .
C22 Fe1 C20 C21 -37.7(11) . .
C19 Fe1 C20 C21 -118.8(12) . .
C23 Fe1 C20 C21 -81.2(12) . .
C19 C20 C21 C22 0.0(8) . .
Fe1 C20 C21 C22 60.2(9) . .
C19 C20 C21 Fe1 -60.1(7) . .
C14 Fe1 C21 C22 46(2) . .
C18 Fe1 C21 C22 83.4(15) . .
C15 Fe1 C21 C22 -154(4) . .
C17 Fe1 C21 C22 127.0(13) . .
C16 Fe1 C21 C22 168.6(13) . .
C20 Fe1 C21 C22 -118.5(16) . .
C19 Fe1 C21 C22 -80.9(13) . .
C23 Fe1 C21 C22 -37.4(12) . .
C14 Fe1 C21 C20 164.5(18) . .
C18 Fe1 C21 C20 -158.1(11) . .
C15 Fe1 C21 C20 -35(4) . .
C17 Fe1 C21 C20 -114.5(11) . .
C16 Fe1 C21 C20 -72.9(14) . .
C22 Fe1 C21 C20 118.5(16) . .
C19 Fe1 C21 C20 37.6(9) . .
C23 Fe1 C21 C20 81.0(11) . .
C20 C21 C22 C23 0.0(14) . .
Fe1 C21 C22 C23 60.1(12) . .
C20 C21 C22 Fe1 -60.1(8) . .
C14 Fe1 C22 C23 82.9(13) . .
C18 Fe1 C22 C23 126.6(12) . .
C15 Fe1 C22 C23 47(2) . .
C17 Fe1 C22 C23 167.5(12) . .
C16 Fe1 C22 C23 -159(3) . .
C20 Fe1 C22 C23 -81.1(12) . .
C21 Fe1 C22 C23 -119.1(16) . .
C19 Fe1 C22 C23 -37.6(11) . .
C14 Fe1 C22 C21 -158.0(13) . .
C18 Fe1 C22 C21 -114.4(13) . .
C15 Fe1 C22 C21 166.1(18) . .
C17 Fe1 C22 C21 -73.4(15) . .
C16 Fe1 C22 C21 -39(4) . .
C20 Fe1 C22 C21 37.9(12) . .
C19 Fe1 C22 C21 81.5(12) . .
C23 Fe1 C22 C21 119.1(16) . .
C21 C22 C23 C19 0.0(16) . .
Fe1 C22 C23 C19 60.0(10) . .
C21 C22 C23 Fe1 -60.0(10) . .
C20 C19 C23 C22 0.0(14) . .
Fe1 C19 C23 C22 -59.8(12) . .
C20 C19 C23 Fe1 59.8(8) . .
C14 Fe1 C23 C22 -114.1(12) . .
C18 Fe1 C23 C22 -73.0(15) . .
C15 Fe1 C23 C22 -157.3(11) . .
C17 Fe1 C23 C22 -41(4) . .
C16 Fe1 C23 C22 168.7(16) . .
C20 Fe1 C23 C22 81.2(12) . .
C21 Fe1 C23 C22 37.5(11) . .
C19 Fe1 C23 C22 118.9(17) . .
C14 Fe1 C23 C19 127.0(13) . .
C18 Fe1 C23 C19 168.1(13) . .
C15 Fe1 C23 C19 83.8(13) . .
C17 Fe1 C23 C19 -160(3) . .
C16 Fe1 C23 C19 50(2) . .
C20 Fe1 C23 C19 -37.7(11) . .
C21 Fe1 C23 C19 -81.4(13) . .
C22 Fe1 C23 C19 -118.9(17) . .
C12 N1 C24 O13 -6(2) . .
C12 N1 C24 C25 174.0(19) . .
O13 C24 C25 C26 33.9(11) . .
N1 C24 C25 C26 -146.1(9) . .
O13 C24 C25 C30 -138.2(12) . .
N1 C24 C25 C30 41.8(13) . .
C30 C25 C26 C27 0.1(9) . .
C24 C25 C26 C27 -172.0(9) . .
C25 C26 C27 C28 0.2(10) . .
C26 C27 C28 C29 0(2) . .
C27 C28 C29 C30 0(3) . .
C28 C29 C30 C25 0(3) . .
C26 C25 C30 C29 -0.2(19) . .
C24 C25 C30 C29 171.8(15) . .
Cd2 O15 C31 O14 -5(6) . .
Cd2 O15 C31 C32 175(3) . .
Cd1 O14 C31 O15 8(6) . .
Cd1 O14 C31 C32 -172(3) . .
C44 N2 C32 C33 -69(5) . .
C44 N2 C32 C31 110(3) . .
O15 C31 C32 C33 -3(6) . .
O14 C31 C32 C33 177(4) . .
O15 C31 C32 N2 178(3) . .
O14 C31 C32 N2 -2(5) . .
N2 C32 C33 C34 -4(7) . .
C31 C32 C33 C34 178(4) . .
C32 C33 C34 C38 179(4) . .
C32 C33 C34 C35 -7(6) . .
C32 C33 C34 Fe2 -95(5) . .
C35 Fe2 C34 C38 -118.2(12) . .
C41 Fe2 C34 C38 79.4(11) . .
C40 Fe2 C34 C38 49.0(15) . .
C36 Fe2 C34 C38 -80.7(11) . .
C37 Fe2 C34 C38 -37.3(11) . .
C42 Fe2 C34 C38 121.3(12) . .
C43 Fe2 C34 C38 160.2(13) . .
C39 Fe2 C34 C38 -175(3) . .
C41 Fe2 C34 C35 -162.4(7) . .
C40 Fe2 C34 C35 167.2(11) . .
C36 Fe2 C34 C35 37.5(7) . .
C37 Fe2 C34 C35 80.9(9) . .
C38 Fe2 C34 C35 118.2(12) . .
C42 Fe2 C34 C35 -120.5(8) . .
C43 Fe2 C34 C35 -81.6(11) . .
C39 Fe2 C34 C35 -57(3) . .
C35 Fe2 C34 C33 125(2) . .
C41 Fe2 C34 C33 -38(2) . .
C40 Fe2 C34 C33 -68(2) . .
C36 Fe2 C34 C33 162(2) . .
C37 Fe2 C34 C33 -155(2) . .
C38 Fe2 C34 C33 -117(3) . .
C42 Fe2 C34 C33 4(2) . .
C43 Fe2 C34 C33 43(2) . .
C39 Fe2 C34 C33 68(4) . .
C38 C34 C35 C36 0.0(8) . .
C33 C34 C35 C36 -175(3) . .
Fe2 C34 C35 C36 -60.2(7) . .
C38 C34 C35 Fe2 60.2(8) . .
C33 C34 C35 Fe2 -115(2) . .
C41 Fe2 C35 C36 158.0(17) . .
C40 Fe2 C35 C36 -38(3) . .
C34 Fe2 C35 C36 119.2(12) . .
C37 Fe2 C35 C36 37.8(11) . .
C38 Fe2 C35 C36 81.2(11) . .
C42 Fe2 C35 C36 -163.3(12) . .
C43 Fe2 C35 C36 -119.8(12) . .
C39 Fe2 C35 C36 -77.9(11) . .
C41 Fe2 C35 C34 38.8(18) . .
C40 Fe2 C35 C34 -157(2) . .
C36 Fe2 C35 C34 -119.2(12) . .
C37 Fe2 C35 C34 -81.3(9) . .
C38 Fe2 C35 C34 -37.9(7) . .
C42 Fe2 C35 C34 77.5(10) . .
C43 Fe2 C35 C34 121.0(9) . .
C39 Fe2 C35 C34 162.9(7) . .
C34 C35 C36 C37 0.0(8) . .
Fe2 C35 C36 C37 -60.2(9) . .
C34 C35 C36 Fe2 60.2(7) . .
C41 Fe2 C36 C35 -151(3) . .
C40 Fe2 C36 C35 168.2(12) . .
C34 Fe2 C36 C35 -37.7(10) . .
C37 Fe2 C36 C35 -118.5(16) . .
C38 Fe2 C36 C35 -81.2(12) . .
C42 Fe2 C36 C35 42(3) . .
C43 Fe2 C36 C35 82.3(14) . .
C39 Fe2 C36 C35 125.2(11) . .
C35 Fe2 C36 C37 118.5(16) . .
C41 Fe2 C36 C37 -32(3) . .
C40 Fe2 C36 C37 -73.3(14) . .
C34 Fe2 C36 C37 80.8(12) . .
C38 Fe2 C36 C37 37.3(11) . .
C42 Fe2 C36 C37 160(2) . .
C43 Fe2 C36 C37 -159.2(13) . .
C39 Fe2 C36 C37 -116.3(12) . .
C35 C36 C37 C38 0.0(14) . .
Fe2 C36 C37 C38 -59.7(11) . .
C35 C36 C37 Fe2 59.7(7) . .
C35 Fe2 C37 C38 81.4(13) . .
C41 Fe2 C37 C38 -72.5(15) . .
C40 Fe2 C37 C38 -114.1(13) . .
C36 Fe2 C37 C38 119.4(17) . .
C34 Fe2 C37 C38 37.4(12) . .
C42 Fe2 C37 C38 -41(3) . .
C43 Fe2 C37 C38 174(3) . .
C39 Fe2 C37 C38 -155.4(13) . .
C35 Fe2 C37 C36 -38.0(11) . .
C41 Fe2 C37 C36 168.1(12) . .
C40 Fe2 C37 C36 126.5(12) . .
C34 Fe2 C37 C36 -82.0(12) . .
C38 Fe2 C37 C36 -119.4(17) . .
C42 Fe2 C37 C36 -160(3) . .
C43 Fe2 C37 C36 55(3) . .
C39 Fe2 C37 C36 85.3(14) . .
C36 C37 C38 C34 0.0(17) . .
Fe2 C37 C38 C34 -59.4(10) . .
C36 C37 C38 Fe2 59.5(10) . .
C35 C34 C38 C37 0.0(14) . .
C33 C34 C38 C37 175(2) . .
Fe2 C34 C38 C37 59.6(12) . .
C35 C34 C38 Fe2 -59.6(7) . .
C33 C34 C38 Fe2 116(2) . .
C35 Fe2 C38 C37 -81.1(13) . .
C41 Fe2 C38 C37 124.3(13) . .
C40 Fe2 C38 C37 83.7(14) . .
C36 Fe2 C38 C37 -37.4(11) . .
C34 Fe2 C38 C37 -119.4(17) . .
C42 Fe2 C38 C37 163.9(13) . .
C43 Fe2 C38 C37 -174(3) . .
C39 Fe2 C38 C37 57(3) . .
C35 Fe2 C38 C34 38.3(9) . .
C41 Fe2 C38 C34 -116.3(11) . .
C40 Fe2 C38 C34 -156.9(10) . .
C36 Fe2 C38 C34 82.0(11) . .
C37 Fe2 C38 C34 119.4(17) . .
C42 Fe2 C38 C34 -76.7(14) . .
C43 Fe2 C38 C34 -55(3) . .
C39 Fe2 C38 C34 176.5(18) . .
C35 Fe2 C39 C43 -76.8(14) . .
C41 Fe2 C39 C43 80.7(12) . .
C40 Fe2 C39 C43 118.3(15) . .
C36 Fe2 C39 C43 -119.8(13) . .
C34 Fe2 C39 C43 -32(3) . .
C37 Fe2 C39 C43 -163.7(14) . .
C38 Fe2 C39 C43 156(2) . .
C42 Fe2 C39 C43 37.0(12) . .
C35 Fe2 C39 C40 164.9(8) . .
C41 Fe2 C39 C40 -37.6(8) . .
C36 Fe2 C39 C40 121.8(9) . .
C34 Fe2 C39 C40 -151(3) . .
C37 Fe2 C39 C40 77.9(12) . .
C38 Fe2 C39 C40 38(2) . .
C42 Fe2 C39 C40 -81.4(10) . .
C43 Fe2 C39 C40 -118.3(15) . .
C43 C39 C40 C41 0.0(8) . .
Fe2 C39 C40 C41 59.8(7) . .
C43 C39 C40 Fe2 -59.8(9) . .
C35 Fe2 C40 C41 -169(2) . .
C36 Fe2 C40 C41 160.6(11) . .
C34 Fe2 C40 C41 43.9(14) . .
C37 Fe2 C40 C41 120.1(11) . .
C38 Fe2 C40 C41 77.8(11) . .
C42 Fe2 C40 C41 -38.0(10) . .
C43 Fe2 C40 C41 -81.3(10) . .
C39 Fe2 C40 C41 -118.9(11) . .
C35 Fe2 C40 C39 -50(2) . .
C41 Fe2 C40 C39 118.9(11) . .
C36 Fe2 C40 C39 -80.5(10) . .
C34 Fe2 C40 C39 162.9(11) . .
C37 Fe2 C40 C39 -121.0(9) . .
C38 Fe2 C40 C39 -163.2(9) . .
C42 Fe2 C40 C39 80.9(9) . .
C43 Fe2 C40 C39 37.6(9) . .
C39 C40 C41 C42 0.0(8) . .
Fe2 C40 C41 C42 61.1(9) . .
C39 C40 C41 Fe2 -61.0(7) . .
C35 Fe2 C41 C40 173.4(16) . .
C36 Fe2 C41 C40 -55(3) . .
C34 Fe2 C41 C40 -159.1(9) . .
C37 Fe2 C41 C40 -78.9(13) . .
C38 Fe2 C41 C40 -118.2(10) . .
C42 Fe2 C41 C40 118.3(16) . .
C43 Fe2 C41 C40 80.5(11) . .
C39 Fe2 C41 C40 37.4(8) . .
C35 Fe2 C41 C42 55(2) . .
C40 Fe2 C41 C42 -118.3(16) . .
C36 Fe2 C41 C42 -173(3) . .
C34 Fe2 C41 C42 82.7(13) . .
C37 Fe2 C41 C42 162.9(13) . .
C38 Fe2 C41 C42 123.6(13) . .
C43 Fe2 C41 C42 -37.8(12) . .
C39 Fe2 C41 C42 -80.8(12) . .
C40 C41 C42 C43 -0.1(14) . .
Fe2 C41 C42 C43 60.8(12) . .
C40 C41 C42 Fe2 -60.9(7) . .
C35 Fe2 C42 C43 86.3(15) . .
C41 Fe2 C42 C43 -118.1(18) . .
C40 Fe2 C42 C43 -80.2(13) . .
C36 Fe2 C42 C43 56(3) . .
C34 Fe2 C42 C43 127.8(13) . .
C37 Fe2 C42 C43 -162(3) . .
C38 Fe2 C42 C43 168.7(13) . .
C39 Fe2 C42 C43 -36.8(12) . .
C35 Fe2 C42 C41 -155.5(13) . .
C40 Fe2 C42 C41 37.9(12) . .
C36 Fe2 C42 C41 174(2) . .
C34 Fe2 C42 C41 -114.1(13) . .
C37 Fe2 C42 C41 -43(3) . .
C38 Fe2 C42 C41 -73.2(15) . .
C43 Fe2 C42 C41 118.1(18) . .
C39 Fe2 C42 C41 81.3(13) . .
C41 C42 C43 C39 0.1(17) . .
Fe2 C42 C43 C39 59.9(10) . .
C41 C42 C43 Fe2 -59.8(10) . .
C40 C39 C43 C42 -0.1(14) . .
Fe2 C39 C43 C42 -59.2(12) . .
C40 C39 C43 Fe2 59.1(7) . .
C35 Fe2 C43 C42 -114.5(13) . .
C41 Fe2 C43 C42 38.2(12) . .
C40 Fe2 C43 C42 81.9(13) . .
C36 Fe2 C43 C42 -158.2(13) . .
C34 Fe2 C43 C42 -70.6(16) . .
C37 Fe2 C43 C42 161(3) . .
C38 Fe2 C43 C42 -30(3) . .
C39 Fe2 C43 C42 119.9(18) . .
C35 Fe2 C43 C39 125.7(12) . .
C41 Fe2 C43 C39 -81.7(12) . .
C40 Fe2 C43 C39 -37.9(11) . .
C36 Fe2 C43 C39 82.0(14) . .
C34 Fe2 C43 C39 169.5(12) . .
C37 Fe2 C43 C39 41(3) . .
C38 Fe2 C43 C39 -150(3) . .
C42 Fe2 C43 C39 -119.9(18) . .
C32 N2 C44 O16 10(3) . .
C32 N2 C44 C45 -171(2) . .
O16 C44 C45 C50 -151.0(15) . .
N2 C44 C45 C50 29.1(16) . .
O16 C44 C45 C46 32.6(12) . .
N2 C44 C45 C46 -147.3(11) . .
C50 C45 C46 C47 0.1(10) . .
C44 C45 C46 C47 176.4(10) . .
C45 C46 C47 C48 0.0(10) . .
C46 C47 C48 C49 0(2) . .
C47 C48 C49 C50 0(3) . .
C46 C45 C50 C49 0(2) . .
C44 C45 C50 C49 -175.9(15) . .
C48 C49 C50 C45 0(3) . .
Cd2 O17 C51 O18 -11(5) . .
Cd2 O17 C51 C52 165(2) . .
Cd3 O18 C51 O17 8(5) . .
Cd3 O18 C51 C52 -169(2) . .
C64 N3 C52 C53 -129(3) . .
C64 N3 C52 C51 62(3) . .
O17 C51 C52 C53 -151(3) . .
O18 C51 C52 C53 26(5) . .
O17 C51 C52 N3 19(5) . .
O18 C51 C52 N3 -165(3) . .
N3 C52 C53 C54 6(6) . .
C51 C52 C53 C54 175(3) . .
C52 C53 C54 C55 -166(3) . .
C52 C53 C54 C58 16(5) . .
C52 C53 C54 Fe3 108(4) . .
C60 Fe3 C54 C55 -100(21) . .
C59 Fe3 C54 C55 -69.7(12) . .
C61 Fe3 C54 C55 176.3(10) . .
C58 Fe3 C54 C55 119.5(12) . .
C56 Fe3 C54 C55 38.2(9) . .
C57 Fe3 C54 C55 81.5(10) . .
C63 Fe3 C54 C55 -107.0(11) . .
C62 Fe3 C54 C55 -148.3(10) . .
C60 Fe3 C54 C58 141(21) . .
C59 Fe3 C54 C58 170.9(12) . .
C61 Fe3 C54 C58 56.8(13) . .
C55 Fe3 C54 C58 -119.5(12) . .
C56 Fe3 C54 C58 -81.3(11) . .
C57 Fe3 C54 C58 -37.9(11) . .
C63 Fe3 C54 C58 133.6(12) . .
C62 Fe3 C54 C58 92.2(12) . .
C60 Fe3 C54 C53 15(22) . .
C59 Fe3 C54 C53 45(3) . .
C61 Fe3 C54 C53 -69(2) . .
C58 Fe3 C54 C53 -126(3) . .
C55 Fe3 C54 C53 115(2) . .
C56 Fe3 C54 C53 153(2) . .
C57 Fe3 C54 C53 -164(2) . .
C63 Fe3 C54 C53 8(2) . .
C62 Fe3 C54 C53 -34(2) . .
C58 C54 C55 C56 0.0(7) . .
C53 C54 C55 C56 -178.0(17) . .
Fe3 C54 C55 C56 -60.0(6) . .
C58 C54 C55 Fe3 59.9(8) . .
C53 C54 C55 Fe3 -118.1(17) . .
C60 Fe3 C55 C56 -66.1(14) . .
C59 Fe3 C55 C56 -107.3(11) . .
C54 Fe3 C55 C56 118.0(13) . .
C61 Fe3 C55 C56 41(17) . .
C58 Fe3 C55 C56 80.4(11) . .
C57 Fe3 C55 C56 36.6(10) . .
C63 Fe3 C55 C56 -151.5(11) . .
C62 Fe3 C55 C56 171.3(14) . .
C60 Fe3 C55 C54 175.9(11) . .
C59 Fe3 C55 C54 134.7(9) . .
C61 Fe3 C55 C54 -77(17) . .
C58 Fe3 C55 C54 -37.6(8) . .
C56 Fe3 C55 C54 -118.0(13) . .
C57 Fe3 C55 C54 -81.4(10) . .
C63 Fe3 C55 C54 90.4(11) . .
C62 Fe3 C55 C54 53.3(16) . .
C54 C55 C56 C57 0.0(8) . .
Fe3 C55 C56 C57 -59.4(8) . .
C54 C55 C56 Fe3 59.4(6) . .
C60 Fe3 C56 C57 -99.8(11) . .
C59 Fe3 C56 C57 -146.9(10) . .
C54 Fe3 C56 C57 82.2(10) . .
C61 Fe3 C56 C57 -56.9(14) . .
C58 Fe3 C56 C57 38.0(9) . .
C55 Fe3 C56 C57 120.7(13) . .
C63 Fe3 C56 C57 173.6(13) . .
C62 Fe3 C56 C57 0(7) . .
C60 Fe3 C56 C55 139.5(11) . .
C59 Fe3 C56 C55 92.5(11) . .
C54 Fe3 C56 C55 -38.5(9) . .
C61 Fe3 C56 C55 -177.5(12) . .
C58 Fe3 C56 C55 -82.7(10) . .
C57 Fe3 C56 C55 -120.7(13) . .
C63 Fe3 C56 C55 52.9(16) . .
C62 Fe3 C56 C55 -120(6) . .
C55 C56 C57 C58 0.1(13) . .
Fe3 C56 C57 C58 -58.8(10) . .
C55 C56 C57 Fe3 58.9(6) . .
C60 Fe3 C57 C56 99.1(12) . .
C59 Fe3 C57 C56 61.2(18) . .
C54 Fe3 C57 C56 -81.0(10) . .
C61 Fe3 C57 C56 143.3(10) . .
C58 Fe3 C57 C56 -119.0(15) . .
C55 Fe3 C57 C56 -36.9(9) . .
C63 Fe3 C57 C56 -155(5) . .
C62 Fe3 C57 C56 -179.9(10) . .
C60 Fe3 C57 C58 -141.9(13) . .
C59 Fe3 C57 C58 -179.8(16) . .
C54 Fe3 C57 C58 38.0(11) . .
C61 Fe3 C57 C58 -97.7(13) . .
C55 Fe3 C57 C58 82.0(12) . .
C56 Fe3 C57 C58 119.0(15) . .
C63 Fe3 C57 C58 -37(6) . .
C62 Fe3 C57 C58 -61.0(15) . .
C55 C54 C58 C57 0.1(12) . .
C53 C54 C58 C57 178(2) . .
Fe3 C54 C58 C57 60.0(10) . .
C55 C54 C58 Fe3 -59.9(6) . .
C53 C54 C58 Fe3 118(2) . .
C56 C57 C58 C54 -0.1(14) . .
Fe3 C57 C58 C54 -59.2(9) . .
C56 C57 C58 Fe3 59.0(9) . .
C60 Fe3 C58 C54 -177.3(12) . .
C59 Fe3 C58 C54 -62(7) . .
C61 Fe3 C58 C54 -144.1(10) . .
C55 Fe3 C58 C54 37.6(9) . .
C56 Fe3 C58 C54 81.3(10) . .
C57 Fe3 C58 C54 118.8(16) . .
C63 Fe3 C58 C54 -67.9(15) . .
C62 Fe3 C58 C54 -102.6(11) . .
C60 Fe3 C58 C57 63.9(18) . .
C59 Fe3 C58 C57 179(100) . .
C54 Fe3 C58 C57 -118.8(16) . .
C61 Fe3 C58 C57 97.2(13) . .
C55 Fe3 C58 C57 -81.2(12) . .
C56 Fe3 C58 C57 -37.5(11) . .
C63 Fe3 C58 C57 173.3(14) . .
C62 Fe3 C58 C57 138.6(13) . .
C54 Fe3 C59 C60 -178.0(12) . .
C61 Fe3 C59 C60 -38.1(10) . .
C58 Fe3 C59 C60 -123(7) . .
C55 Fe3 C59 C60 140.5(11) . .
C56 Fe3 C59 C60 96.0(12) . .
C57 Fe3 C59 C60 56(2) . .
C63 Fe3 C59 C60 -116.0(16) . .
C62 Fe3 C59 C60 -80.4(11) . .
C60 Fe3 C59 C63 116.0(16) . .
C54 Fe3 C59 C63 -62.0(16) . .
C61 Fe3 C59 C63 77.9(13) . .
C58 Fe3 C59 C63 -7(8) . .
C55 Fe3 C59 C63 -103.5(13) . .
C56 Fe3 C59 C63 -148.0(12) . .
C57 Fe3 C59 C63 172.3(17) . .
C62 Fe3 C59 C63 35.6(11) . .
C63 C59 C60 C61 0.1(8) . .
Fe3 C59 C60 C61 63.9(6) . .
C63 C59 C60 Fe3 -63.8(8) . .
C59 Fe3 C60 C61 -118.6(13) . .
C54 Fe3 C60 C61 -87(21) . .
C58 Fe3 C60 C61 51.6(15) . .
C55 Fe3 C60 C61 176.3(11) . .
C56 Fe3 C60 C61 135.8(11) . .
C57 Fe3 C60 C61 91.6(12) . .
C63 Fe3 C60 C61 -79.7(12) . .
C62 Fe3 C60 C61 -37.6(10) . .
C54 Fe3 C60 C59 31(21) . .
C61 Fe3 C60 C59 118.6(13) . .
C58 Fe3 C60 C59 170.2(13) . .
C55 Fe3 C60 C59 -65.1(14) . .
C56 Fe3 C60 C59 -105.6(12) . .
C57 Fe3 C60 C59 -149.8(12) . .
C63 Fe3 C60 C59 38.9(11) . .
C62 Fe3 C60 C59 81.0(11) . .
C59 C60 C61 C62 -0.1(8) . .
Fe3 C60 C61 C62 62.5(9) . .
C59 C60 C61 Fe3 -62.7(6) . .
C59 Fe3 C61 C60 38.9(9) . .
C54 Fe3 C61 C60 175.9(10) . .
C58 Fe3 C61 C60 -148.7(10) . .
C55 Fe3 C61 C60 -110(17) . .
C56 Fe3 C61 C60 -70.7(14) . .
C57 Fe3 C61 C60 -105.5(11) . .
C63 Fe3 C61 C60 82.4(11) . .
C62 Fe3 C61 C60 117.5(15) . .
C60 Fe3 C61 C62 -117.5(15) . .
C59 Fe3 C61 C62 -78.5(12) . .
C54 Fe3 C61 C62 58.4(16) . .
C58 Fe3 C61 C62 93.8(13) . .
C55 Fe3 C61 C62 132(17) . .
C56 Fe3 C61 C62 171.8(13) . .
C57 Fe3 C61 C62 137.0(12) . .
C63 Fe3 C61 C62 -35.1(11) . .
C60 C61 C62 C63 0.1(14) . .
Fe3 C61 C62 C63 57.2(12) . .
C60 C61 C62 Fe3 -57.1(7) . .
C60 Fe3 C62 C63 -83.0(12) . .
C59 Fe3 C62 C63 -37.0(10) . .
C54 Fe3 C62 C63 94.8(12) . .
C61 Fe3 C62 C63 -122.4(16) . .
C58 Fe3 C62 C63 137.9(11) . .
C55 Fe3 C62 C63 60.7(16) . .
C56 Fe3 C62 C63 174(6) . .
C57 Fe3 C62 C63 174.5(11) . .
C60 Fe3 C62 C61 39.4(11) . .
C59 Fe3 C62 C61 85.4(12) . .
C54 Fe3 C62 C61 -142.8(12) . .
C58 Fe3 C62 C61 -99.7(12) . .
C55 Fe3 C62 C61 -176.9(13) . .
C56 Fe3 C62 C61 -63(7) . .
C57 Fe3 C62 C61 -63.1(15) . .
C63 Fe3 C62 C61 122.4(16) . .
C61 C62 C63 C59 0.0(16) . .
Fe3 C62 C63 C59 55.4(9) . .
C61 C62 C63 Fe3 -55.5(10) . .
C60 C59 C63 C62 0.0(13) . .
Fe3 C59 C63 C62 -58.8(11) . .
C60 C59 C63 Fe3 58.8(6) . .
C60 Fe3 C63 C62 80.3(12) . .
C59 Fe3 C63 C62 120.9(16) . .
C54 Fe3 C63 C62 -100.1(12) . .
C61 Fe3 C63 C62 35.5(11) . .
C58 Fe3 C63 C62 -60.2(15) . .
C55 Fe3 C63 C62 -143.8(10) . .
C56 Fe3 C63 C62 -178.8(12) . .
C57 Fe3 C63 C62 -29(6) . .
C60 Fe3 C63 C59 -40.6(11) . .
C54 Fe3 C63 C59 139.0(12) . .
C61 Fe3 C63 C59 -85.4(12) . .
C58 Fe3 C63 C59 178.8(13) . .
C55 Fe3 C63 C59 95.2(12) . .
C56 Fe3 C63 C59 60.2(17) . .
C57 Fe3 C63 C59 -149(5) . .
C62 Fe3 C63 C59 -120.9(16) . .
C52 N3 C64 O19 7(2) . .
C52 N3 C64 C65 -173.1(18) . .
O19 C64 C65 C66 163.6(11) . .
N3 C64 C65 C66 -16.5(12) . .
O19 C64 C65 C70 -18.4(14) . .
N3 C64 C65 C70 161.6(12) . .
C70 C65 C66 C67 0.0(9) . .
C64 C65 C66 C67 178.0(8) . .
C65 C66 C67 C68 0.0(10) . .
C66 C67 C68 C69 0.0(19) . .
C67 C68 C69 C70 0(3) . .
C66 C65 C70 C69 0.1(18) . .
C64 C65 C70 C69 -178.1(13) . .
C68 C69 C70 C65 0(2) . .
Cd3 O20 C71 O21 -1(4) . .
Cd3 O20 C71 C72 176.2(18) . .
Cd4 O21 C71 O20 7(4) . .
Cd4 O21 C71 C72 -170.6(18) . .
C84 N4 C72 C73 -108(3) . .
C84 N4 C72 C71 76(3) . .
O20 C71 C72 N4 -6(4) . .
O21 C71 C72 N4 172(2) . .
O20 C71 C72 C73 177(3) . .
O21 C71 C72 C73 -5(4) . .
N4 C72 C73 C74 6(5) . .
C71 C72 C73 C74 -178(2) . .
C72 C73 C74 C75 163(2) . .
C72 C73 C74 C78 -31(4) . .
C72 C73 C74 Fe4 -116(3) . .
C79 Fe4 C74 C75 123.4(10) . .
C83 Fe4 C74 C75 79.9(13) . .
C82 Fe4 C74 C75 43(2) . .
C80 Fe4 C74 C75 165.7(10) . .
C77 Fe4 C74 C75 -81.4(11) . .
C81 Fe4 C74 C75 -157(3) . .
C76 Fe4 C74 C75 -37.6(9) . .
C78 Fe4 C74 C75 -118.9(14) . .
C79 Fe4 C74 C78 -117.7(12) . .
C83 Fe4 C74 C78 -161.1(12) . .
C82 Fe4 C74 C78 162.1(19) . .
C80 Fe4 C74 C78 -75.4(13) . .
C77 Fe4 C74 C78 37.5(11) . .
C81 Fe4 C74 C78 -38(3) . .
C76 Fe4 C74 C78 81.3(11) . .
C75 Fe4 C74 C78 118.9(14) . .
C79 Fe4 C74 C73 9(2) . .
C83 Fe4 C74 C73 -34(2) . .
C82 Fe4 C74 C73 -71(3) . .
C80 Fe4 C74 C73 52(2) . .
C77 Fe4 C74 C73 165(2) . .
C81 Fe4 C74 C73 89(3) . .
C76 Fe4 C74 C73 -152(2) . .
C78 Fe4 C74 C73 127(2) . .
C75 Fe4 C74 C73 -114(2) . .
C78 C74 C75 C76 -0.1(7) . .
C73 C74 C75 C76 168.2(17) . .
Fe4 C74 C75 C76 59.2(6) . .
C78 C74 C75 Fe4 -59.4(8) . .
C73 C74 C75 Fe4 109.0(16) . .
C79 Fe4 C75 C74 -77.0(11) . .
C83 Fe4 C75 C74 -118.3(11) . .
C82 Fe4 C75 C74 -160.8(11) . .
C80 Fe4 C75 C74 -44(3) . .
C77 Fe4 C75 C74 81.5(11) . .
C81 Fe4 C75 C74 164.8(16) . .
C76 Fe4 C75 C74 119.3(13) . .
C78 Fe4 C75 C74 37.7(9) . .
C79 Fe4 C75 C76 163.7(10) . .
C83 Fe4 C75 C76 122.4(12) . .
C82 Fe4 C75 C76 79.9(12) . .
C80 Fe4 C75 C76 -163(2) . .
C77 Fe4 C75 C76 -37.8(10) . .
C81 Fe4 C75 C76 46(2) . .
C78 Fe4 C75 C76 -81.6(11) . .
C74 Fe4 C75 C76 -119.3(13) . .
C74 C75 C76 C77 -0.1(8) . .
Fe4 C75 C76 C77 59.9(8) . .
C74 C75 C76 Fe4 -60.0(6) . .
C79 Fe4 C76 C77 -166(2) . .
C83 Fe4 C76 C77 164.5(13) . .
C82 Fe4 C76 C77 123.8(13) . .
C80 Fe4 C76 C77 50(2) . .
C81 Fe4 C76 C77 81.9(13) . .
C78 Fe4 C76 C77 -37.9(11) . .
C75 Fe4 C76 C77 -118.7(15) . .
C74 Fe4 C76 C77 -81.5(12) . .
C79 Fe4 C76 C75 -47(3) . .
C83 Fe4 C76 C75 -76.7(13) . .
C82 Fe4 C76 C75 -117.4(11) . .
C80 Fe4 C76 C75 168.8(16) . .
C77 Fe4 C76 C75 118.7(15) . .
C81 Fe4 C76 C75 -159.3(10) . .
C78 Fe4 C76 C75 80.8(10) . .
C74 Fe4 C76 C75 37.2(9) . .
C75 C76 C77 C78 0.2(12) . .
Fe4 C76 C77 C78 60.5(10) . .
C75 C76 C77 Fe4 -60.3(7) . .
C79 Fe4 C77 C76 169.3(19) . .
C83 Fe4 C77 C76 -42(3) . .
C82 Fe4 C77 C76 -74.4(15) . .
C80 Fe4 C77 C76 -157.8(11) . .
C81 Fe4 C77 C76 -115.6(12) . .
C78 Fe4 C77 C76 118.5(16) . .
C75 Fe4 C77 C76 37.8(10) . .
C74 Fe4 C77 C76 81.1(11) . .
C79 Fe4 C77 C78 51(3) . .
C83 Fe4 C77 C78 -161(3) . .
C82 Fe4 C77 C78 167.1(13) . .
C80 Fe4 C77 C78 83.7(14) . .
C81 Fe4 C77 C78 125.9(13) . .
C76 Fe4 C77 C78 -118.5(16) . .
C75 Fe4 C77 C78 -80.7(12) . .
C74 Fe4 C77 C78 -37.4(11) . .
C76 C77 C78 C74 -0.3(14) . .
Fe4 C77 C78 C74 59.9(9) . .
C76 C77 C78 Fe4 -60.1(9) . .
C75 C74 C78 C77 0.2(12) . .
C73 C74 C78 C77 -166.2(19) . .
Fe4 C74 C78 C77 -59.2(10) . .
C75 C74 C78 Fe4 59.4(6) . .
C73 C74 C78 Fe4 -107.1(19) . .
C79 Fe4 C78 C77 -158.7(12) . .
C83 Fe4 C78 C77 164(2) . .
C82 Fe4 C78 C77 -36(3) . .
C80 Fe4 C78 C77 -115.5(13) . .
C81 Fe4 C78 C77 -73.1(15) . .
C76 Fe4 C78 C77 38.0(11) . .
C75 Fe4 C78 C77 81.8(12) . .
C74 Fe4 C78 C77 119.3(16) . .
C79 Fe4 C78 C74 82.0(13) . .
C83 Fe4 C78 C74 45(3) . .
C82 Fe4 C78 C74 -156(3) . .
C80 Fe4 C78 C74 125.2(11) . .
C77 Fe4 C78 C74 -119.3(16) . .
C81 Fe4 C78 C74 167.6(11) . .
C76 Fe4 C78 C74 -81.3(11) . .
C75 Fe4 C78 C74 -37.5(9) . .
C82 Fe4 C79 C83 37.7(12) . .
C80 Fe4 C79 C83 119.2(15) . .
C77 Fe4 C79 C83 165(2) . .
C81 Fe4 C79 C83 81.4(13) . .
C76 Fe4 C79 C83 -38(3) . .
C78 Fe4 C79 C83 -158.7(13) . .
C75 Fe4 C79 C83 -74.5(14) . .
C74 Fe4 C79 C83 -116.1(13) . .
C83 Fe4 C79 C80 -119.2(15) . .
C82 Fe4 C79 C80 -81.5(11) . .
C77 Fe4 C79 C80 46(2) . .
C81 Fe4 C79 C80 -37.8(10) . .
C76 Fe4 C79 C80 -158(2) . .
C78 Fe4 C79 C80 82.0(12) . .
C75 Fe4 C79 C80 166.3(10) . .
C74 Fe4 C79 C80 124.7(10) . .
C83 C79 C80 C81 0.0(8) . .
Fe4 C79 C80 C81 59.8(7) . .
C83 C79 C80 Fe4 -59.8(8) . .
C83 Fe4 C80 C79 37.7(10) . .
C82 Fe4 C80 C79 81.4(11) . .
C77 Fe4 C80 C79 -160.8(11) . .
C81 Fe4 C80 C79 118.9(14) . .
C76 Fe4 C80 C79 163.8(16) . .
C78 Fe4 C80 C79 -117.9(11) . .
C75 Fe4 C80 C79 -43(3) . .
C74 Fe4 C80 C79 -76.5(11) . .
C79 Fe4 C80 C81 -118.9(14) . .
C83 Fe4 C80 C81 -81.3(12) . .
C82 Fe4 C80 C81 -37.6(11) . .
C77 Fe4 C80 C81 80.2(13) . .
C76 Fe4 C80 C81 45(2) . .
C78 Fe4 C80 C81 123.2(11) . .
C75 Fe4 C80 C81 -161(2) . .
C74 Fe4 C80 C81 164.6(11) . .
C79 C80 C81 C82 0.0(8) . .
Fe4 C80 C81 C82 59.3(8) . .
C79 C80 C81 Fe4 -59.3(7) . .
C79 Fe4 C81 C82 -81.3(12) . .
C83 Fe4 C81 C82 -37.4(12) . .
C80 Fe4 C81 C82 -119.1(16) . .
C77 Fe4 C81 C82 123.0(13) . .
C76 Fe4 C81 C82 80.8(14) . .
C78 Fe4 C81 C82 163.3(12) . .
C75 Fe4 C81 C82 49(2) . .
C74 Fe4 C81 C82 -167(2) . .
C79 Fe4 C81 C80 37.9(10) . .
C83 Fe4 C81 C80 81.8(12) . .
C82 Fe4 C81 C80 119.1(16) . .
C77 Fe4 C81 C80 -117.9(12) . .
C76 Fe4 C81 C80 -160.0(10) . .
C78 Fe4 C81 C80 -77.5(13) . .
C75 Fe4 C81 C80 167.9(15) . .
C74 Fe4 C81 C80 -48(3) . .
C80 C81 C82 C83 0.0(13) . .
Fe4 C81 C82 C83 59.1(11) . .
C80 C81 C82 Fe4 -59.1(7) . .
C79 Fe4 C82 C83 -37.9(12) . .
C80 Fe4 C82 C83 -81.9(13) . .
C77 Fe4 C82 C83 164.5(13) . .
C81 Fe4 C82 C83 -119.7(18) . .
C76 Fe4 C82 C83 123.9(13) . .
C78 Fe4 C82 C83 -168(3) . .
C75 Fe4 C82 C83 82.3(14) . .
C74 Fe4 C82 C83 52(2) . .
C79 Fe4 C82 C81 81.8(13) . .
C83 Fe4 C82 C81 119.7(18) . .
C80 Fe4 C82 C81 37.8(11) . .
C77 Fe4 C82 C81 -75.8(15) . .
C76 Fe4 C82 C81 -116.4(13) . .
C78 Fe4 C82 C81 -48(3) . .
C75 Fe4 C82 C81 -158.0(12) . .
C74 Fe4 C82 C81 171.5(18) . .
C80 C79 C83 C82 0.0(12) . .
Fe4 C79 C83 C82 -59.8(10) . .
C80 C79 C83 Fe4 59.8(7) . .
C81 C82 C83 C79 0.0(15) . .
Fe4 C82 C83 C79 59.4(9) . .
C81 C82 C83 Fe4 -59.3(10) . .
C82 Fe4 C83 C79 -118.9(17) . .
C80 Fe4 C83 C79 -37.7(11) . .
C77 Fe4 C83 C79 -162(3) . .
C81 Fe4 C83 C79 -81.6(12) . .
C76 Fe4 C83 C79 166.6(11) . .
C78 Fe4 C83 C79 51(3) . .
C75 Fe4 C83 C79 125.2(12) . .
C74 Fe4 C83 C79 83.7(13) . .
C79 Fe4 C83 C82 118.9(17) . .
C80 Fe4 C83 C82 81.2(13) . .
C77 Fe4 C83 C82 -43(3) . .
C81 Fe4 C83 C82 37.3(12) . .
C76 Fe4 C83 C82 -74.5(15) . .
C78 Fe4 C83 C82 170(2) . .
C75 Fe4 C83 C82 -115.9(13) . .
C74 Fe4 C83 C82 -157.4(13) . .
C72 N4 C84 O22 9(2) . .
C72 N4 C84 C85 -171(2) . .
O22 C84 C85 C90 141.6(13) . .
N4 C84 C85 C90 -38.4(13) . .
O22 C84 C85 C86 -32.3(12) . .
N4 C84 C85 C86 147.7(10) . .
C90 C85 C86 C87 -0.1(9) . .
C84 C85 C86 C87 173.9(8) . .
C85 C86 C87 C88 0.0(9) . .
C86 C87 C88 C89 0.0(19) . .
C87 C88 C89 C90 0(2) . .
C86 C85 C90 C89 0.2(18) . .
C84 C85 C90 C89 -173.6(13) . .
C88 C89 C90 C85 0(2) . .
Cd5 O24 C91 O23 0(6) . .
Cd5 O24 C91 C92 -174(2) . .
Cd4 O23 C91 O24 2(6) . .
Cd4 O23 C91 C92 176(3) . .
C104 N5 C92 C93 60(5) . .
C104 N5 C92 C91 -116(3) . .
O24 C91 C92 N5 -8(5) . .
O23 C91 C92 N5 177(4) . .
O24 C91 C92 C93 175(4) . .
O23 C91 C92 C93 1(6) . .
N5 C92 C93 C94 11(7) . .
C91 C92 C93 C94 -173(3) . .
C92 C93 C94 C95 13(6) . .
C92 C93 C94 C98 -176(4) . .
C92 C93 C94 Fe5 100(4) . .
C102 Fe5 C94 C95 125.4(8) . .
C98 Fe5 C94 C95 -118.9(12) . .
C101 Fe5 C94 C95 82.1(9) . .
C103 Fe5 C94 C95 166.2(9) . .
C97 Fe5 C94 C95 -80.7(8) . .
C100 Fe5 C94 C95 47.8(17) . .
C96 Fe5 C94 C95 -37.6(7) . .
C99 Fe5 C94 C95 -162(3) . .
C102 Fe5 C94 C98 -115.7(11) . .
C95 Fe5 C94 C98 118.9(12) . .
C101 Fe5 C94 C98 -159.0(12) . .
C103 Fe5 C94 C98 -74.9(13) . .
C97 Fe5 C94 C98 38.2(10) . .
C100 Fe5 C94 C98 166.7(16) . .
C96 Fe5 C94 C98 81.3(11) . .
C99 Fe5 C94 C98 -43(3) . .
C102 Fe5 C94 C93 1.2(18) . .
C98 Fe5 C94 C93 117(2) . .
C95 Fe5 C94 C93 -124.2(18) . .
C101 Fe5 C94 C93 -42.1(19) . .
C103 Fe5 C94 C93 42.0(18) . .
C97 Fe5 C94 C93 155.1(18) . .
C100 Fe5 C94 C93 -76(2) . .
C96 Fe5 C94 C93 -161.8(17) . .
C99 Fe5 C94 C93 73(3) . .
C98 C94 C95 C96 0.0(8) . .
C93 C94 C95 C96 172(2) . .
Fe5 C94 C95 C96 60.2(7) . .
C98 C94 C95 Fe5 -60.2(9) . .
C93 C94 C95 Fe5 112(2) . .
C102 Fe5 C95 C94 -75.0(11) . .
C98 Fe5 C95 C94 38.1(8) . .
C101 Fe5 C95 C94 -115.1(8) . .
C103 Fe5 C95 C94 -48(3) . .
C97 Fe5 C95 C94 82.1(9) . .
C100 Fe5 C95 C94 -157.0(7) . .
C96 Fe5 C95 C94 119.2(10) . .
C99 Fe5 C95 C94 171.3(11) . .
C94 Fe5 C95 C96 -119.2(10) . .
C102 Fe5 C95 C96 165.8(12) . .
C98 Fe5 C95 C96 -81.1(10) . .
C101 Fe5 C95 C96 125.7(10) . .
C103 Fe5 C95 C96 -168(3) . .
C97 Fe5 C95 C96 -37.2(9) . .
C100 Fe5 C95 C96 83.8(10) . .
C99 Fe5 C95 C96 52.0(14) . .
C94 C95 C96 C97 0.0(9) . .
Fe5 C95 C96 C97 59.0(9) . .
C94 C95 C96 Fe5 -59.0(7) . .
C94 Fe5 C96 C97 -81.6(11) . .
C102 Fe5 C96 C97 -164(3) . .
C98 Fe5 C96 C97 -37.3(10) . .
C95 Fe5 C96 C97 -119.3(13) . .
C101 Fe5 C96 C97 167.7(11) . .
C103 Fe5 C96 C97 54(2) . .
C100 Fe5 C96 C97 127.5(10) . .
C99 Fe5 C96 C97 85.7(11) . .
C94 Fe5 C96 C95 37.8(7) . .
C102 Fe5 C96 C95 -45(3) . .
C98 Fe5 C96 C95 82.1(9) . .
C101 Fe5 C96 C95 -73.0(11) . .
C103 Fe5 C96 C95 173.2(18) . .
C97 Fe5 C96 C95 119.3(13) . .
C100 Fe5 C96 C95 -113.1(8) . .
C99 Fe5 C96 C95 -155.0(8) . .
C95 C96 C97 C98 0.0(15) . .
Fe5 C96 C97 C98 58.3(12) . .
C95 C96 C97 Fe5 -58.3(7) . .
C94 Fe5 C97 C96 81.8(10) . .
C102 Fe5 C97 C96 169.5(19) . .
C98 Fe5 C97 C96 120.4(14) . .
C95 Fe5 C97 C96 37.7(9) . .
C101 Fe5 C97 C96 -36(3) . .
C103 Fe5 C97 C96 -155.0(11) . .
C100 Fe5 C97 C96 -71.1(12) . .
C99 Fe5 C97 C96 -112.4(10) . .
C94 Fe5 C97 C98 -38.6(9) . .
C102 Fe5 C97 C98 49(2) . .
C95 Fe5 C97 C98 -82.6(10) . .
C101 Fe5 C97 C98 -157(2) . .
C103 Fe5 C97 C98 84.6(13) . .
C100 Fe5 C97 C98 168.5(10) . .
C96 Fe5 C97 C98 -120.4(14) . .
C99 Fe5 C97 C98 127.2(10) . .
C95 C94 C98 C97 0.0(14) . .
C93 C94 C98 C97 -173(2) . .
Fe5 C94 C98 C97 -60.3(12) . .
C95 C94 C98 Fe5 60.3(8) . .
C93 C94 C98 Fe5 -112(2) . .
C96 C97 C98 C94 0.0(17) . .
Fe5 C97 C98 C94 59.3(10) . .
C96 C97 C98 Fe5 -59.3(11) . .
C102 Fe5 C98 C94 83.4(11) . .
C95 Fe5 C98 C94 -37.8(9) . .
C101 Fe5 C98 C94 46(2) . .
C103 Fe5 C98 C94 126.9(10) . .
C97 Fe5 C98 C94 -118.1(14) . .
C100 Fe5 C98 C94 -156(3) . .
C96 Fe5 C98 C94 -81.5(10) . .
C99 Fe5 C98 C94 168.1(10) . .
C94 Fe5 C98 C97 118.1(14) . .
C102 Fe5 C98 C97 -158.5(10) . .
C95 Fe5 C98 C97 80.3(10) . .
C101 Fe5 C98 C97 164.4(16) . .
C103 Fe5 C98 C97 -115.0(11) . .
C100 Fe5 C98 C97 -38(3) . .
C96 Fe5 C98 C97 36.6(9) . .
C99 Fe5 C98 C97 -73.8(13) . .
C94 Fe5 C99 C103 -39(3) . .
C102 Fe5 C99 C103 38.0(10) . .
C98 Fe5 C99 C103 -74.4(12) . .
C95 Fe5 C99 C103 165.7(13) . .
C101 Fe5 C99 C103 82.1(11) . .
C97 Fe5 C99 C103 -115.9(11) . .
C100 Fe5 C99 C103 119.5(12) . .
C96 Fe5 C99 C103 -158.5(10) . .
C94 Fe5 C99 C100 -159(3) . .
C102 Fe5 C99 C100 -81.5(10) . .
C98 Fe5 C99 C100 166.2(11) . .
C95 Fe5 C99 C100 46.2(15) . .
C101 Fe5 C99 C100 -37.3(9) . .
C103 Fe5 C99 C100 -119.5(12) . .
C97 Fe5 C99 C100 124.7(10) . .
C96 Fe5 C99 C100 82.0(10) . .
C103 C99 C100 C101 0.0(9) . .
Fe5 C99 C100 C101 59.0(7) . .
C103 C99 C100 Fe5 -59.0(9) . .
C94 Fe5 C100 C101 50.0(18) . .
C102 Fe5 C100 C101 -38.2(9) . .
C98 Fe5 C100 C101 -165(3) . .
C95 Fe5 C100 C101 83.0(10) . .
C103 Fe5 C100 C101 -82.2(10) . .
C97 Fe5 C100 C101 164.9(10) . .
C96 Fe5 C100 C101 125.5(9) . .
C99 Fe5 C100 C101 -119.5(12) . .
C94 Fe5 C100 C99 169.5(14) . .
C102 Fe5 C100 C99 81.3(10) . .
C98 Fe5 C100 C99 -46(3) . .
C95 Fe5 C100 C99 -157.5(9) . .
C101 Fe5 C100 C99 119.5(12) . .
C103 Fe5 C100 C99 37.3(9) . .
C97 Fe5 C100 C99 -75.6(12) . .
C96 Fe5 C100 C99 -115.0(9) . .
C99 C100 C101 C102 0.0(9) . .
Fe5 C100 C101 C102 59.4(9) . .
C99 C100 C101 Fe5 -59.5(7) . .
C94 Fe5 C101 C100 -155.9(9) . .
C102 Fe5 C101 C100 118.6(12) . .
C98 Fe5 C101 C100 171.3(16) . .
C95 Fe5 C101 C100 -113.5(9) . .
C103 Fe5 C101 C100 80.7(10) . .
C97 Fe5 C101 C100 -45(3) . .
C96 Fe5 C101 C100 -73.1(11) . .
C99 Fe5 C101 C100 37.3(8) . .
C94 Fe5 C101 C102 85.5(11) . .
C98 Fe5 C101 C102 53(2) . .
C95 Fe5 C101 C102 127.9(11) . .
C103 Fe5 C101 C102 -37.9(10) . .
C97 Fe5 C101 C102 -164(2) . .
C100 Fe5 C101 C102 -118.6(12) . .
C96 Fe5 C101 C102 168.3(11) . .
C99 Fe5 C101 C102 -81.3(11) . .
C100 C101 C102 C103 0.0(15) . .
Fe5 C101 C102 C103 60.3(12) . .
C100 C101 C102 Fe5 -60.3(8) . .
C94 Fe5 C102 C103 128.4(12) . .
C98 Fe5 C102 C103 84.9(14) . .
C95 Fe5 C102 C103 170.1(12) . .
C101 Fe5 C102 C103 -118.8(16) . .
C97 Fe5 C102 C103 50(3) . .
C100 Fe5 C102 C103 -81.1(12) . .
C96 Fe5 C102 C103 -155(3) . .
C99 Fe5 C102 C103 -37.6(11) . .
C94 Fe5 C102 C101 -112.8(10) . .
C98 Fe5 C102 C101 -156.3(10) . .
C95 Fe5 C102 C101 -71.1(13) . .
C103 Fe5 C102 C101 118.8(16) . .
C97 Fe5 C102 C101 168.7(19) . .
C100 Fe5 C102 C101 37.7(8) . .
C96 Fe5 C102 C101 -36(4) . .
C99 Fe5 C102 C101 81.2(10) . .
C100 C99 C103 C102 0.0(15) . .
Fe5 C99 C103 C102 -59.3(12) . .
C100 C99 C103 Fe5 59.3(8) . .
C101 C102 C103 C99 0.0(18) . .
Fe5 C102 C103 C99 60.2(11) . .
C101 C102 C103 Fe5 -60.2(11) . .
C94 Fe5 C103 C99 169.0(7) . .
C102 Fe5 C103 C99 -118.8(15) . .
C98 Fe5 C103 C99 126.7(9) . .
C95 Fe5 C103 C99 -152(3) . .
C101 Fe5 C103 C99 -80.8(9) . .
C97 Fe5 C103 C99 83.0(12) . .
C100 Fe5 C103 C99 -37.3(7) . .
C96 Fe5 C103 C99 46(2) . .
C94 Fe5 C103 C102 -72.1(14) . .
C98 Fe5 C103 C102 -114.5(13) . .
C95 Fe5 C103 C102 -33(4) . .
C101 Fe5 C103 C102 38.0(12) . .
C97 Fe5 C103 C102 -158.1(13) . .
C100 Fe5 C103 C102 81.5(12) . .
C96 Fe5 C103 C102 164.7(18) . .
C99 Fe5 C103 C102 118.8(15) . .
C92 N5 C104 O25 -3(3) . .
C92 N5 C104 C105 177(2) . .
O25 C104 C105 C106 -159.2(12) . .
N5 C104 C105 C106 20.7(13) . .
O25 C104 C105 C110 10.7(15) . .
N5 C104 C105 C110 -169.4(13) . .
C110 C105 C106 C107 0.0(9) . .
C104 C105 C106 C107 169.7(9) . .
C105 C106 C107 C108 0.0(10) . .
C106 C107 C108 C109 -0.1(19) . .
C107 C108 C109 C110 0(3) . .
C108 C109 C110 C105 0(3) . .
C106 C105 C110 C109 0.1(19) . .
C104 C105 C110 C109 -170.2(14) . .
