#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/37/7053768.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7053768
loop_
_publ_author_name
'Qian, Hengyu'
'Cui, Xiuling'
'Tang, Mingsheng'
'Liu, Chunhui'
'Liu, Cheng'
'Wu, Yangjie'
_publ_section_title
;
 Synthesis and structure of heteroannular cyclopalladated chiral
 ferrocenylimines: theoretical interpretation of the cyclopalladated
 complexes based on density functional calculations
;
_journal_issue                   3
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              668
_journal_paper_doi               10.1039/b816826a
_journal_volume                  33
_journal_year                    2009
_chemical_absolute_configuration unk
_chemical_formula_moiety
'3(C34 H32 Cl2 Fe2 N2 O2 Pd2), 2(C H2 Cl2), 2(O)'
_chemical_formula_sum            'C104 H100 Cl10 Fe6 N6 O8 Pd6'
_chemical_formula_weight         2889.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 99.75(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   19.839(4)
_cell_length_b                   14.322(3)
_cell_length_c                   19.416(4)
_cell_measurement_reflns_used    4791
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      24.42
_cell_measurement_theta_min      2.15
_cell_volume                     5437(2)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_av_sigmaI/netI    0.0706
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14749
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    2.042
_exptl_absorpt_correction_T_max  0.71
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             2864
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.484
_refine_diff_density_min         -0.609
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         8119
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0650
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0571P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1087
_refine_ls_wR_factor_ref         0.1104
_reflns_number_gt                6789
_reflns_number_total             8119
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b816826asup1.cif
_cod_data_source_block           c2
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5437.0(19)
_cod_original_sg_symbol_Hall     'C 2y '
_cod_original_sg_symbol_H-M      'C2 '
_cod_database_code               7053768
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.7514(4) 0.1461(7) 0.7923(5) 0.047(2) Uani 1 1 d .
C2 C 0.7731(4) 0.2404(8) 0.7893(5) 0.052(2) Uani 1 1 d .
H2A H 0.7808 0.2736 0.7472 0.063 Uiso 1 1 calc R
C3 C 0.7827(5) 0.2781(8) 0.8588(7) 0.064(3) Uani 1 1 d .
H3A H 0.7985 0.3413 0.8727 0.076 Uiso 1 1 calc R
C4 C 0.7690(5) 0.2069(9) 0.9034(5) 0.060(3) Uani 1 1 d .
H4A H 0.7727 0.2125 0.9542 0.072 Uiso 1 1 calc R
C5 C 0.7489(5) 0.1287(7) 0.8654(6) 0.054(2) Uani 1 1 d .
H5A H 0.7353 0.0697 0.8846 0.064 Uiso 1 1 calc R
C6 C 0.9258(5) 0.1510(8) 0.8018(5) 0.052(2) Uani 1 1 d .
H6A H 0.9295 0.1739 0.7550 0.062 Uiso 1 1 calc R
C7 C 0.9443(5) 0.1963(9) 0.8649(6) 0.063(3) Uani 1 1 d .
H7A H 0.9608 0.2571 0.8686 0.075 Uiso 1 1 calc R
C8 C 0.9357(6) 0.1418(9) 0.9228(6) 0.062(3) Uani 1 1 d .
H8A H 0.9452 0.1619 0.9717 0.075 Uiso 1 1 calc R
C9 C 0.9027(5) 0.0577(9) 0.8977(6) 0.066(3) Uani 1 1 d .
H9A H 0.8888 0.0066 0.9258 0.079 Uiso 1 1 calc R
C10 C 0.8984(4) 0.0593(8) 0.8212(6) 0.056(2) Uani 1 1 d .
C11 C 0.8742(5) -0.0217(8) 0.7741(6) 0.060(3) Uani 1 1 d .
H11A H 0.8967 -0.0781 0.7953 0.072 Uiso 1 1 calc R
C12 C 0.8880(5) -0.0158(8) 0.6992(6) 0.061(3) Uani 1 1 d .
H12A H 0.8691 -0.0697 0.6735 0.091 Uiso 1 1 calc R
H12B H 0.9364 -0.0135 0.6996 0.091 Uiso 1 1 calc R
H12C H 0.8670 0.0395 0.6773 0.091 Uiso 1 1 calc R
C13 C 0.7796(5) -0.1047(8) 0.8012(5) 0.055(2) Uani 1 1 d .
H13A H 0.8145 -0.1429 0.8235 0.066 Uiso 1 1 calc R
C14 C 0.7086(5) -0.1340(8) 0.8044(6) 0.058(3) Uani 1 1 d .
C15 C 0.7004(5) -0.2089(8) 0.8423(6) 0.058(3) Uani 1 1 d .
H15A H 0.7331 -0.2456 0.8697 0.069 Uiso 1 1 calc R
C16 C 0.6305(6) -0.2176(8) 0.8301(6) 0.061(3) Uani 1 1 d .
H16A H 0.6071 -0.2633 0.8506 0.073 Uiso 1 1 d R
C17 C 0.5996(5) -0.1509(8) 0.7916(6) 0.056(3) Uani 1 1 d .
H17A H 0.5529 -0.1426 0.7773 0.068 Uiso 1 1 d R
C18 C 0.7635(5) 0.0343(6) 0.4808(5) 0.0426(19) Uani 1 1 d .
C19 C 0.8241(5) -0.0173(7) 0.4905(6) 0.054(2) Uani 1 1 d .
H19A H 0.8551 -0.0242 0.5352 0.065 Uiso 1 1 calc R
C20 C 0.8360(6) -0.0559(8) 0.4250(6) 0.063(3) Uani 1 1 d .
H20A H 0.8749 -0.0943 0.4172 0.075 Uiso 1 1 calc R
C21 C 0.7763(6) -0.0268(8) 0.3721(6) 0.058(3) Uani 1 1 d .
H21A H 0.7690 -0.0409 0.3220 0.070 Uiso 1 1 calc R
C22 C 0.7324(5) 0.0244(7) 0.4078(5) 0.047(2) Uani 1 1 d .
H22A H 0.6897 0.0542 0.3859 0.056 Uiso 1 1 calc R
C23 C 0.9034(5) 0.1702(8) 0.4686(6) 0.056(2) Uani 1 1 d .
H23A H 0.9320 0.1557 0.5136 0.068 Uiso 1 1 calc R
C24 C 0.9184(5) 0.1416(9) 0.4052(5) 0.059(3) Uani 1 1 d .
H24A H 0.9560 0.1065 0.3980 0.071 Uiso 1 1 calc R
C25 C 0.8649(6) 0.1760(9) 0.3527(6) 0.065(3) Uani 1 1 d .
H25A H 0.8609 0.1688 0.3019 0.078 Uiso 1 1 calc R
C26 C 0.8212(6) 0.2206(8) 0.3876(6) 0.059(3) Uani 1 1 d .
H26A H 0.7784 0.2497 0.3651 0.071 Uiso 1 1 calc R
C27 C 0.8438(5) 0.2172(8) 0.4622(5) 0.051(2) Uani 1 1 d .
C28 C 0.8031(4) 0.2621(7) 0.5113(5) 0.048(2) Uani 1 1 d .
H28A H 0.7993 0.3293 0.5018 0.058 Uiso 1 1 calc R
C29 C 0.8405(5) 0.2451(9) 0.5905(5) 0.060(3) Uani 1 1 d .
H29A H 0.8139 0.2729 0.6220 0.090 Uiso 1 1 calc R
H29B H 0.8851 0.2729 0.5973 0.090 Uiso 1 1 calc R
H29C H 0.8447 0.1792 0.5994 0.090 Uiso 1 1 calc R
C30 C 0.6867(5) 0.2691(7) 0.4643(6) 0.052(2) Uani 1 1 d .
H30A H 0.6990 0.3269 0.4485 0.063 Uiso 1 1 calc R
C31 C 0.6164(5) 0.2412(7) 0.4448(5) 0.048(2) Uani 1 1 d .
C32 C 0.5816(5) 0.1608(8) 0.4508(5) 0.052(2) Uani 1 1 d .
H32A H 0.5991 0.1060 0.4726 0.063 Uiso 1 1 calc R
C33 C 0.5147(5) 0.1765(9) 0.4182(5) 0.059(3) Uani 1 1 d .
H34A H 0.4782 0.1348 0.4138 0.070 Uiso 1 1 calc R
C34 C 0.5138(6) 0.2592(10) 0.3958(6) 0.070(3) Uani 1 1 d .
H33A H 0.4746 0.2876 0.3718 0.083 Uiso 1 1 calc R
C35 C 0.9167(4) 0.7131(7) 0.8449(5) 0.048(2) Uani 1 1 d .
C36 C 0.9113(5) 0.7315(8) 0.7696(5) 0.054(3) Uani 1 1 d .
H36A H 0.9441 0.7665 0.7471 0.065 Uiso 1 1 calc R
C37 C 0.8505(6) 0.6916(8) 0.7365(6) 0.063(3) Uani 1 1 d .
H37A H 0.8354 0.6911 0.6858 0.075 Uiso 1 1 calc R
C38 C 0.8147(5) 0.6444(8) 0.7864(5) 0.058(3) Uani 1 1 d .
H38A H 0.7713 0.6101 0.7772 0.069 Uiso 1 1 calc R
C39 C 0.8592(5) 0.6598(8) 0.8530(5) 0.050(2) Uani 1 1 d .
H39A H 0.8504 0.6354 0.8978 0.060 Uiso 1 1 calc R
C40 C 0.9928(5) 0.5435(8) 0.7458(6) 0.062(3) Uani 1 1 d .
H40A H 1.0182 0.5778 0.7149 0.075 Uiso 1 1 calc R
C41 C 0.9328(5) 0.4870(9) 0.7252(6) 0.063(3) Uani 1 1 d .
H41A H 0.9091 0.4763 0.6773 0.075 Uiso 1 1 calc R
C42 C 0.9141(5) 0.4532(8) 0.7848(6) 0.059(3) Uani 1 1 d .
H42A H 0.8732 0.4148 0.7852 0.071 Uiso 1 1 calc R
C43 C 0.9577(5) 0.4858(8) 0.8477(7) 0.062(3) Uani 1 1 d .
H43A H 0.9557 0.4704 0.8965 0.075 Uiso 1 1 calc R
C44 C 1.0083(5) 0.5391(8) 0.8203(6) 0.055(2) Uani 1 1 d .
C45 C 1.0683(4) 0.5913(7) 0.8651(5) 0.049(2) Uani 1 1 d .
H45A H 1.1101 0.5765 0.8467 0.059 Uiso 1 1 calc R
C46 C 1.0797(6) 0.5642(9) 0.9423(6) 0.067(3) Uani 1 1 d .
H46A H 1.1181 0.5980 0.9670 0.101 Uiso 1 1 calc R
H46B H 1.0885 0.4983 0.9468 0.101 Uiso 1 1 calc R
H46C H 1.0396 0.5791 0.9618 0.101 Uiso 1 1 calc R
C47 C 1.0898(4) 0.7370(7) 0.8190(5) 0.047(2) Uani 1 1 d .
H47A H 1.1201 0.7017 0.7981 0.056 Uiso 1 1 calc R
C48 C 1.0855(5) 0.8319(8) 0.8030(6) 0.055(2) Uani 1 1 d .
C49 C 1.1167(5) 0.8752(8) 0.7527(5) 0.051(2) Uani 1 1 d .
H49A H 1.1436 0.8472 0.7237 0.061 Uiso 1 1 calc R
C50 C 1.1004(5) 0.9636(8) 0.7546(6) 0.058(3) Uani 1 1 d .
H50A H 1.1147 1.0074 0.7248 0.070 Uiso 1 1 calc R
C51 C 1.0635(6) 0.9859(8) 0.8005(6) 0.061(3) Uani 1 1 d .
H51A H 1.0480 1.0447 0.8110 0.073 Uiso 1 1 calc R
C52 C 0.8062(6) 0.9609(9) 0.0498(6) 0.066(3) Uani 1 1 d .
H52A H 0.8149 0.9180 0.0889 0.079 Uiso 1 1 calc R
H52B H 0.8479 0.9658 0.0301 0.079 Uiso 1 1 calc R
Cl1 Cl 0.66827(11) 0.17087(19) 0.64584(11) 0.0494(5) Uani 1 1 d .
Cl2 Cl 0.71218(12) -0.04225(16) 0.60952(12) 0.0477(5) Uani 1 1 d .
Cl3 Cl 0.91595(12) 0.8048(2) 0.98748(12) 0.0537(6) Uani 1 1 d .
Cl4 Cl 0.78777(15) 1.0624(2) 0.07799(15) 0.0702(7) Uani 1 1 d .
Cl5 Cl 0.74068(14) 0.9146(2) -0.01421(14) 0.0658(7) Uani 1 1 d .
Fe1 Fe 0.84378(7) 0.16230(12) 0.85359(8) 0.0539(4) Uani 1 1 d .
Fe2 Fe 0.82910(7) 0.08669(10) 0.42115(7) 0.0471(3) Uani 1 1 d .
Fe3 Fe 0.91389(7) 0.59264(12) 0.79025(8) 0.0554(4) Uani 1 1 d .
N1 N 0.7973(4) -0.0335(6) 0.7713(4) 0.0451(18) Uani 1 1 d .
N2 N 0.7345(4) 0.2203(5) 0.5021(4) 0.0423(16) Uani 1 1 d .
N3 N 1.0570(4) 0.6948(6) 0.8587(4) 0.0453(17) Uani 1 1 d .
O1 O 0.6519(4) -0.0970(6) 0.7717(4) 0.0622(19) Uani 1 1 d .
O2 O 0.5781(4) 0.3051(6) 0.4108(4) 0.0640(19) Uani 1 1 d .
O3 O 1.0515(4) 0.8936(6) 0.8328(4) 0.0591(18) Uani 1 1 d .
O4 O 0.9966(8) 0.4080(13) 0.4191(9) 0.052(4) Uani 0.40 1 d P
O5 O 1.0000 0.9572(10) 0.5000 0.063(5) Uani 0.60 2 d SP
O6 O 1.0000 0.3386(13) 1.0000 0.076(6) Uani 0.60 2 d SP
Pd1 Pd 0.73414(3) 0.05933(4) 0.71376(3) 0.03872(15) Uani 1 1 d .
Pd2 Pd 0.72134(3) 0.09708(5) 0.55168(3) 0.03950(15) Uani 1 1 d .
Pd3 Pd 0.99156(3) 0.75133(5) 0.91750(3) 0.03898(15) Uani 1 1 d .
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'
Cl Cl 0.1484 0.1585 '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'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C2 C1 C5 105.3(8) . .
C2 C1 Pd1 126.0(8) . .
C5 C1 Pd1 128.7(8) . .
C2 C1 Fe1 70.4(5) . .
C5 C1 Fe1 67.8(5) . .
Pd1 C1 Fe1 123.7(4) . .
C1 C2 C3 108.2(9) . .
C1 C2 Fe1 68.7(5) . .
C3 C2 Fe1 70.4(6) . .
C1 C2 H2A 125.9 . .
C3 C2 H2A 125.9 . .
Fe1 C2 H2A 125.9 . .
C4 C3 C2 107.4(10) . .
C4 C3 Fe1 67.7(6) . .
C2 C3 Fe1 68.7(6) . .
C4 C3 H3A 126.2 . .
C2 C3 H3A 126.2 . .
Fe1 C3 H3A 126.2 . .
C5 C4 C3 109.6(9) . .
C5 C4 Fe1 69.6(6) . .
C3 C4 Fe1 72.3(6) . .
C5 C4 H4A 125.2 . .
C3 C4 H4A 125.2 . .
Fe1 C4 H4A 125.2 . .
C4 C5 C1 109.4(10) . .
C4 C5 Fe1 70.6(6) . .
C1 C5 Fe1 69.9(5) . .
C4 C5 H5A 125.3 . .
C1 C5 H5A 125.3 . .
Fe1 C5 H5A 125.3 . .
C7 C6 C10 104.0(9) . .
C7 C6 Fe1 69.0(6) . .
C10 C6 Fe1 66.1(5) . .
C7 C6 H6A 128.0 . .
C10 C6 H6A 128.0 . .
Fe1 C6 H6A 128.0 . .
C6 C7 C8 113.6(11) . .
C6 C7 Fe1 71.5(6) . .
C8 C7 Fe1 72.7(6) . .
C6 C7 H7A 123.2 . .
C8 C7 H7A 123.2 . .
Fe1 C7 H7A 124.1 . .
C7 C8 C9 108.0(9) . .
C7 C8 Fe1 67.6(6) . .
C9 C8 Fe1 66.2(5) . .
C7 C8 H8A 125.8 . .
C9 C8 H8A 125.8 . .
Fe1 C8 H8A 125.8 . .
C8 C9 C10 106.1(11) . .
C8 C9 Fe1 73.4(7) . .
C10 C9 Fe1 68.1(5) . .
C8 C9 H9A 126.9 . .
C10 C9 H9A 126.9 . .
Fe1 C9 H9A 126.9 . .
C9 C10 C6 107.9(10) . .
C9 C10 C11 124.0(11) . .
C6 C10 C11 128.1(10) . .
C9 C10 Fe1 68.6(6) . .
C6 C10 Fe1 70.7(6) . .
C11 C10 Fe1 128.8(6) . .
C10 C11 C12 116.5(10) . .
C10 C11 N1 108.7(7) . .
C12 C11 N1 108.2(8) . .
C10 C11 H11A 107.7 . .
C12 C11 H11A 107.7 . .
N1 C11 H11A 107.7 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
N1 C13 C14 126.4(9) . .
N1 C13 H13A 116.8 . .
C14 C13 H13A 116.8 . .
O1 C14 C15 114.9(10) . .
O1 C14 C13 127.6(9) . .
C15 C14 C13 117.4(9) . .
C14 C15 C16 101.2(9) . .
C14 C15 H15A 129.4 . .
C16 C15 H15A 129.4 . .
C17 C16 C15 113.3(10) . .
C17 C16 H16A 122.9 . .
C15 C16 H16A 123.5 . .
C16 C17 O1 105.5(9) . .
C16 C17 H17A 127.9 . .
O1 C17 H17A 126.5 . .
C19 C18 C22 107.1(8) . .
C19 C18 Pd2 127.7(7) . .
C22 C18 Pd2 124.9(7) . .
C19 C18 Fe2 69.6(6) . .
C22 C18 Fe2 71.8(5) . .
Pd2 C18 Fe2 128.8(5) . .
C18 C19 C20 110.5(9) . .
C18 C19 Fe2 70.0(6) . .
C20 C19 Fe2 70.2(6) . .
C18 C19 H19A 124.7 . .
C20 C19 H19A 124.7 . .
Fe2 C19 H19A 124.7 . .
C19 C20 C21 105.7(9) . .
C19 C20 Fe2 68.3(6) . .
C21 C20 Fe2 69.8(6) . .
C19 C20 H20A 127.1 . .
C21 C20 H20A 127.1 . .
Fe2 C20 H20A 127.1 . .
C22 C21 C20 106.9(9) . .
C22 C21 Fe2 70.9(6) . .
C20 C21 Fe2 67.8(6) . .
C22 C21 H21A 126.5 . .
C20 C21 H21A 126.5 . .
Fe2 C21 H21A 126.5 . .
C21 C22 C18 109.6(9) . .
C21 C22 Fe2 69.6(6) . .
C18 C22 Fe2 66.9(5) . .
C21 C22 H22A 125.1 . .
C18 C22 H22A 125.1 . .
Fe2 C22 H22A 125.1 . .
C27 C23 C24 112.7(10) . .
C27 C23 Fe2 71.9(6) . .
C24 C23 Fe2 70.3(6) . .
C27 C23 H23A 123.6 . .
C24 C23 H23A 123.6 . .
Fe2 C23 H23A 123.6 . .
C23 C24 C25 106.8(10) . .
C23 C24 Fe2 69.5(6) . .
C25 C24 Fe2 71.3(6) . .
C23 C24 H24A 126.6 . .
C25 C24 H24A 126.6 . .
Fe2 C24 H24A 124.3 . .
C26 C25 C24 105.5(10) . .
C26 C25 Fe2 69.3(6) . .
C24 C25 Fe2 67.6(7) . .
C26 C25 H25A 127.3 . .
C24 C25 H25A 127.3 . .
Fe2 C25 H25A 127.3 . .
C25 C26 C27 111.8(10) . .
C25 C26 Fe2 72.0(7) . .
C27 C26 Fe2 69.6(6) . .
C25 C26 H26A 124.1 . .
C27 C26 H26A 124.1 . .
Fe2 C26 H26A 124.1 . .
C23 C27 C26 103.2(10) . .
C23 C27 C28 135.7(10) . .
C26 C27 C28 121.1(9) . .
C23 C27 Fe2 69.0(6) . .
C26 C27 Fe2 68.8(6) . .
C28 C27 Fe2 126.1(7) . .
N2 C28 C27 109.6(8) . .
N2 C28 C29 108.7(8) . .
C27 C28 C29 109.5(8) . .
N2 C28 H28A 109.7 . .
C27 C28 H28A 109.7 . .
C29 C28 H28A 109.7 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N2 C30 C31 125.6(9) . .
N2 C30 H30A 117.2 . .
C31 C30 H30A 117.2 . .
O2 C31 C32 112.3(9) . .
O2 C31 C30 113.4(9) . .
C32 C31 C30 134.2(9) . .
C31 C32 C33 106.5(10) . .
C31 C32 H32A 126.8 . .
C33 C32 H32A 126.8 . .
C34 C33 C32 105.4(11) . .
C34 C33 H34A 127.3 . .
C32 C33 H34A 127.3 . .
C33 C34 O2 113.9(10) . .
C33 C34 H33A 123.1 . .
O2 C34 H33A 123.1 . .
C39 C35 C36 106.6(8) . .
C39 C35 Pd3 127.4(7) . .
C36 C35 Pd3 126.0(7) . .
C39 C35 Fe3 69.2(6) . .
C36 C35 Fe3 68.9(6) . .
Pd3 C35 Fe3 124.8(4) . .
C37 C36 C35 107.2(9) . .
C37 C36 Fe3 71.2(7) . .
C35 C36 Fe3 68.4(6) . .
C37 C36 H36A 126.4 . .
C35 C36 H36A 126.4 . .
Fe3 C36 H36A 126.4 . .
C36 C37 C38 111.4(10) . .
C36 C37 Fe3 69.0(6) . .
C38 C37 Fe3 70.7(6) . .
C36 C37 H37A 124.2 . .
C38 C37 H37A 124.2 . .
Fe3 C37 H37A 124.2 . .
C39 C38 C37 103.3(9) . .
C39 C38 Fe3 66.2(5) . .
C37 C38 Fe3 68.1(6) . .
C39 C38 H38A 128.4 . .
C37 C38 H38A 128.4 . .
Fe3 C38 H38A 128.4 . .
C35 C39 C38 111.4(9) . .
C35 C39 Fe3 70.1(5) . .
C38 C39 Fe3 72.3(6) . .
C35 C39 H39A 124.3 . .
C38 C39 H39A 124.3 . .
Fe3 C39 H39A 124.3 . .
C44 C40 C41 106.4(11) . .
C44 C40 Fe3 68.6(6) . .
C41 C40 Fe3 69.7(6) . .
C44 C40 H40A 126.8 . .
C41 C40 H40A 126.8 . .
Fe3 C40 H40A 126.8 . .
C42 C41 C40 107.2(10) . .
C42 C41 Fe3 68.5(7) . .
C40 C41 Fe3 69.0(6) . .
C42 C41 H41A 126.4 . .
C40 C41 H41A 126.4 . .
Fe3 C41 H41A 126.4 . .
C41 C42 C43 113.0(10) . .
C41 C42 Fe3 72.1(7) . .
C43 C42 Fe3 68.9(6) . .
C41 C42 H42A 123.4 . .
C43 C42 H42A 123.4 . .
Fe3 C42 H42A 123.4 . .
C44 C43 C42 102.4(11) . .
C44 C43 Fe3 69.6(7) . .
C42 C43 Fe3 68.7(6) . .
C44 C43 H43A 128.7 . .
C42 C43 H43A 128.7 . .
Fe3 C43 H43A 128.7 . .
C40 C44 C43 110.9(10) . .
C40 C44 C45 124.3(10) . .
C43 C44 C45 124.7(10) . .
C40 C44 Fe3 70.2(6) . .
C43 C44 Fe3 68.6(5) . .
C45 C44 Fe3 124.6(7) . .
N3 C45 C46 109.1(8) . .
N3 C45 C44 110.0(8) . .
C46 C45 C44 113.7(9) . .
N3 C45 H45A 107.9 . .
C46 C45 H45A 107.9 . .
C44 C45 H45A 107.9 . .
C45 C46 H46A 109.5 . .
C45 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C45 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
N3 C47 C48 126.3(9) . .
N3 C47 H47A 116.9 . .
C48 C47 H47A 116.9 . .
O3 C48 C49 109.7(10) . .
O3 C48 C47 125.3(9) . .
C49 C48 C47 125.0(9) . .
C50 C49 C48 105.7(9) . .
C50 C49 H49A 127.2 . .
C48 C49 H49A 127.2 . .
C51 C50 C49 115.6(11) . .
C51 C50 H50A 122.2 . .
C49 C50 H50A 122.2 . .
C50 C51 O3 102.7(10) . .
C50 C51 H51A 128.6 . .
O3 C51 H51A 128.6 . .
Cl4 C52 Cl5 113.1(7) . .
Cl4 C52 H52A 109.0 . .
Cl5 C52 H52A 109.0 . .
Cl4 C52 H52B 109.0 . .
Cl5 C52 H52B 109.0 . .
H52A C52 H52B 107.8 . .
Pd1 Cl1 Pd2 81.85(7) . .
Pd2 Cl2 Pd1 82.66(8) . .
Pd3 Cl3 Pd3 82.19(7) . 2_757
C5 Fe1 C10 115.6(4) . .
C5 Fe1 C9 105.3(5) . .
C10 Fe1 C9 43.3(5) . .
C5 Fe1 C4 39.8(4) . .
C10 Fe1 C4 150.8(5) . .
C9 Fe1 C4 117.3(5) . .
C5 Fe1 C1 42.3(4) . .
C10 Fe1 C1 102.5(4) . .
C9 Fe1 C1 124.8(4) . .
C4 Fe1 C1 69.5(4) . .
C5 Fe1 C7 167.4(5) . .
C10 Fe1 C7 68.6(5) . .
C9 Fe1 C7 69.0(5) . .
C4 Fe1 C7 131.7(5) . .
C1 Fe1 C7 150.2(5) . .
C5 Fe1 C2 68.8(4) . .
C10 Fe1 C2 124.4(4) . .
C9 Fe1 C2 163.9(4) . .
C4 Fe1 C2 68.5(4) . .
C1 Fe1 C2 40.9(4) . .
C7 Fe1 C2 119.7(5) . .
C5 Fe1 C6 151.3(4) . .
C10 Fe1 C6 43.2(4) . .
C9 Fe1 C6 72.4(5) . .
C4 Fe1 C6 165.9(5) . .
C1 Fe1 C6 114.6(4) . .
C7 Fe1 C6 39.4(4) . .
C2 Fe1 C6 105.2(4) . .
C5 Fe1 C3 67.4(4) . .
C10 Fe1 C3 164.5(5) . .
C9 Fe1 C3 152.2(5) . .
C4 Fe1 C3 40.0(5) . .
C1 Fe1 C3 69.0(4) . .
C7 Fe1 C3 112.1(5) . .
C2 Fe1 C3 40.9(4) . .
C6 Fe1 C3 127.3(5) . .
C5 Fe1 C8 129.0(5) . .
C10 Fe1 C8 68.8(4) . .
C9 Fe1 C8 40.4(5) . .
C4 Fe1 C8 111.7(4) . .
C1 Fe1 C8 164.8(5) . .
C7 Fe1 C8 39.7(5) . .
C2 Fe1 C8 154.3(5) . .
C6 Fe1 C8 68.2(4) . .
C3 Fe1 C8 122.4(4) . .
C23 Fe2 C24 40.2(4) . .
C23 Fe2 C19 104.4(5) . .
C24 Fe2 C19 122.3(5) . .
C23 Fe2 C26 65.9(5) . .
C24 Fe2 C26 66.5(5) . .
C19 Fe2 C26 154.6(4) . .
C23 Fe2 C18 116.9(4) . .
C24 Fe2 C18 154.3(4) . .
C19 Fe2 C18 40.4(4) . .
C26 Fe2 C18 120.8(4) . .
C23 Fe2 C27 39.1(4) . .
C24 Fe2 C27 68.2(4) . .
C19 Fe2 C27 115.8(4) . .
C26 Fe2 C27 41.7(4) . .
C18 Fe2 C27 100.3(4) . .
C23 Fe2 C20 122.7(5) . .
C24 Fe2 C20 109.9(5) . .
C19 Fe2 C20 41.5(4) . .
C26 Fe2 C20 163.4(5) . .
C18 Fe2 C20 69.8(4) . .
C27 Fe2 C20 153.9(5) . .
C23 Fe2 C25 67.5(5) . .
C24 Fe2 C25 41.1(4) . .
C19 Fe2 C25 161.8(5) . .
C26 Fe2 C25 38.6(5) . .
C18 Fe2 C25 157.7(4) . .
C27 Fe2 C25 68.9(5) . .
C20 Fe2 C25 128.0(5) . .
C23 Fe2 C21 162.9(4) . .
C24 Fe2 C21 128.7(4) . .
C19 Fe2 C21 69.6(4) . .
C26 Fe2 C21 126.1(5) . .
C18 Fe2 C21 69.5(4) . .
C27 Fe2 C21 158.0(4) . .
C20 Fe2 C21 42.4(5) . .
C25 Fe2 C21 113.1(5) . .
C23 Fe2 C22 154.4(4) . .
C24 Fe2 C22 164.1(4) . .
C19 Fe2 C22 67.7(4) . .
C26 Fe2 C22 110.2(4) . .
C18 Fe2 C22 41.3(4) . .
C27 Fe2 C22 120.5(4) . .
C20 Fe2 C22 68.5(4) . .
C25 Fe2 C22 126.6(4) . .
C21 Fe2 C22 39.5(4) . .
C42 Fe3 C43 42.5(5) . .
C42 Fe3 C39 121.1(5) . .
C43 Fe3 C39 104.8(5) . .
C42 Fe3 C44 68.0(4) . .
C43 Fe3 C44 41.8(4) . .
C39 Fe3 C44 125.3(4) . .
C42 Fe3 C35 151.6(5) . .
C43 Fe3 C35 112.9(5) . .
C39 Fe3 C35 40.8(4) . .
C44 Fe3 C35 103.4(4) . .
C42 Fe3 C36 165.7(4) . .
C43 Fe3 C36 148.5(4) . .
C39 Fe3 C36 69.7(4) . .
C44 Fe3 C36 114.9(4) . .
C35 Fe3 C36 42.6(4) . .
C42 Fe3 C40 67.9(5) . .
C43 Fe3 C40 71.3(5) . .
C39 Fe3 C40 162.8(4) . .
C44 Fe3 C40 41.2(4) . .
C35 Fe3 C40 124.2(4) . .
C36 Fe3 C40 104.5(5) . .
C42 Fe3 C41 39.3(5) . .
C43 Fe3 C41 70.8(5) . .
C39 Fe3 C41 154.5(5) . .
C44 Fe3 C41 68.8(4) . .
C35 Fe3 C41 164.5(5) . .
C36 Fe3 C41 127.2(5) . .
C40 Fe3 C41 41.3(4) . .
C42 Fe3 C37 131.9(5) . .
C43 Fe3 C37 168.2(5) . .
C39 Fe3 C37 68.4(4) . .
C44 Fe3 C37 150.0(5) . .
C35 Fe3 C37 68.8(4) . .
C36 Fe3 C37 39.8(4) . .
C40 Fe3 C37 118.1(5) . .
C41 Fe3 C37 110.9(5) . .
C42 Fe3 C38 111.2(4) . .
C43 Fe3 C38 127.4(5) . .
C39 Fe3 C38 41.4(4) . .
C44 Fe3 C38 165.2(4) . .
C35 Fe3 C38 70.0(4) . .
C36 Fe3 C38 69.8(4) . .
C40 Fe3 C38 153.3(4) . .
C41 Fe3 C38 120.6(4) . .
C37 Fe3 C38 41.2(5) . .
C13 N1 C11 115.5(8) . .
C13 N1 Pd1 126.4(7) . .
C11 N1 Pd1 117.9(6) . .
C30 N2 C28 114.9(8) . .
C30 N2 Pd2 126.2(6) . .
C28 N2 Pd2 118.9(6) . .
C47 N3 C45 116.3(8) . .
C47 N3 Pd3 127.1(7) . .
C45 N3 Pd3 116.6(6) . .
C14 O1 C17 105.0(9) . .
C31 O2 C34 101.9(9) . .
C48 O3 C51 106.2(8) . .
C1 Pd1 N1 88.6(4) . .
C1 Pd1 Cl1 90.8(3) . .
N1 Pd1 Cl1 176.1(2) . .
C1 Pd1 Cl2 176.5(3) . .
N1 Pd1 Cl2 94.1(2) . .
Cl1 Pd1 Cl2 86.32(9) . .
C1 Pd1 Pd2 130.0(3) . .
N1 Pd1 Pd2 126.8(2) . .
Cl1 Pd1 Pd2 51.36(6) . .
Cl2 Pd1 Pd2 46.51(6) . .
C18 Pd2 N2 87.8(3) . .
C18 Pd2 Cl2 91.3(3) . .
N2 Pd2 Cl2 177.2(2) . .
C18 Pd2 Cl1 177.4(3) . .
N2 Pd2 Cl1 94.7(2) . .
Cl2 Pd2 Cl1 86.10(9) . .
C18 Pd2 Pd1 130.8(3) . .
N2 Pd2 Pd1 128.3(2) . .
Cl2 Pd2 Pd1 50.83(6) . .
Cl1 Pd2 Pd1 46.79(5) . .
C35 Pd3 N3 87.9(3) . .
C35 Pd3 Cl3 91.6(3) . .
N3 Pd3 Cl3 175.8(2) . .
C35 Pd3 Cl3 177.6(3) . 2_757
N3 Pd3 Cl3 94.5(2) . 2_757
Cl3 Pd3 Cl3 86.17(10) . 2_757
C35 Pd3 Pd3 132.1(3) . 2_757
N3 Pd3 Pd3 126.8(2) . 2_757
Cl3 Pd3 Pd3 51.29(6) . 2_757
Cl3 Pd3 Pd3 46.53(5) 2_757 2_757
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.422(15) .
C1 C5 1.451(15) .
C1 Pd1 1.951(9) .
C1 Fe1 2.022(9) .
C2 C3 1.436(16) .
C2 Fe1 2.045(9) .
C2 H2A 0.9800 .
C3 C4 1.393(17) .
C3 Fe1 2.066(11) .
C3 H3A 0.9800 .
C4 C5 1.363(15) .
C4 Fe1 2.007(10) .
C4 H4A 0.9800 .
C5 Fe1 1.994(10) .
C5 H5A 0.9800 .
C6 C7 1.380(15) .
C6 C10 1.493(16) .
C6 Fe1 2.059(9) .
C6 H6A 0.9800 .
C7 C8 1.402(17) .
C7 Fe1 2.028(10) .
C7 H7A 0.9300 .
C8 C9 1.418(17) .
C8 Fe1 2.095(10) .
C8 H8A 0.9800 .
C9 C10 1.473(16) .
C9 Fe1 2.000(11) .
C9 H9A 0.9800 .
C10 C11 1.505(16) .
C10 Fe1 1.994(10) .
C11 C12 1.527(15) .
C11 N1 1.527(12) .
C11 H11A 0.9800 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 N1 1.252(13) .
C13 C14 1.481(15) .
C13 H13A 0.9300 .
C14 O1 1.309(12) .
C14 C15 1.326(14) .
C15 C16 1.373(15) .
C15 H15A 0.9300 .
C16 C17 1.299(16) .
C16 H16A 0.9299 .
C17 O1 1.399(14) .
C17 H17A 0.9300 .
C18 C19 1.397(13) .
C18 C22 1.454(13) .
C18 Pd2 1.947(8) .
C18 Fe2 2.027(9) .
C19 C20 1.442(15) .
C19 Fe2 2.022(10) .
C19 H19A 0.9800 .
C20 C21 1.491(17) .
C20 Fe2 2.047(11) .
C20 H20A 0.9800 .
C21 C22 1.409(13) .
C21 Fe2 2.076(11) .
C21 H21A 0.9800 .
C22 Fe2 2.092(10) .
C22 H22A 0.9800 .
C23 C27 1.348(14) .
C23 C24 1.377(15) .
C23 Fe2 1.998(10) .
C23 H23A 0.9800 .
C24 C25 1.429(16) .
C24 Fe2 2.009(11) .
C24 H24A 0.9300 .
C25 C26 1.349(17) .
C25 Fe2 2.057(11) .
C25 H25A 0.9800 .
C26 C27 1.443(15) .
C26 Fe2 2.023(11) .
C26 H26A 0.9800 .
C27 C28 1.494(14) .
C27 Fe2 2.034(11) .
C28 N2 1.471(12) .
C28 C29 1.609(13) .
C28 H28A 0.9800 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 N2 1.299(12) .
C30 C31 1.439(14) .
C30 H30A 0.9300 .
C31 O2 1.296(12) .
C31 C32 1.358(15) .
C32 C33 1.389(14) .
C32 H32A 0.9300 .
C33 C34 1.261(18) .
C33 H34A 0.9300 .
C34 O2 1.421(14) .
C34 H33A 0.9300 .
C35 C39 1.405(14) .
C35 C36 1.472(14) .
C35 Pd3 1.945(9) .
C35 Fe3 2.021(10) .
C36 C37 1.390(15) .
C36 Fe3 2.028(11) .
C36 H36A 0.9800 .
C37 C38 1.462(17) .
C37 Fe3 2.057(11) .
C37 H37A 0.9800 .
C38 C39 1.453(12) .
C38 Fe3 2.092(11) .
C38 H38A 0.9800 .
C39 Fe3 2.010(10) .
C39 H39A 0.9800 .
C40 C44 1.427(15) .
C40 C41 1.439(16) .
C40 Fe3 2.037(10) .
C40 H40A 0.9800 .
C41 C42 1.363(16) .
C41 Fe3 2.046(11) .
C41 H41A 0.9800 .
C42 C43 1.451(16) .
C42 Fe3 2.000(12) .
C42 H42A 0.9800 .
C43 C44 1.433(16) .
C43 Fe3 2.003(11) .
C43 H43A 0.9800 .
C44 C45 1.544(14) .
C44 Fe3 2.016(10) .
C45 N3 1.501(13) .
C45 C46 1.528(16) .
C45 H45A 0.9800 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 N3 1.246(12) .
C47 C48 1.395(15) .
C47 H47A 0.9300 .
C48 O3 1.304(13) .
C48 C49 1.388(14) .
C49 C50 1.308(16) .
C49 H49A 0.9300 .
C50 C51 1.285(15) .
C50 H50A 0.9300 .
C51 O3 1.501(14) .
C51 H51A 0.9300 .
C52 Cl4 1.617(14) .
C52 Cl5 1.769(11) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
Cl1 Pd1 2.327(2) .
Cl1 Pd2 2.494(2) .
Cl2 Pd2 2.312(2) .
Cl2 Pd1 2.471(2) .
Cl3 Pd3 2.318(2) .
Cl3 Pd3 2.492(3) 2_757
N1 Pd1 2.027(7) .
N2 Pd2 2.048(8) .
N3 Pd3 2.035(7) .
Pd1 Pd2 3.1605(11) .
Pd3 Cl3 2.492(3) 2_757
Pd3 Pd3 3.1642(14) 2_757
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
C5 C1 C2 C3 -0.4(10) . .
Pd1 C1 C2 C3 -177.5(6) . .
Fe1 C1 C2 C3 -59.5(6) . .
C5 C1 C2 Fe1 59.1(6) . .
Pd1 C1 C2 Fe1 -118.0(6) . .
C1 C2 C3 C4 1.7(11) . .
Fe1 C2 C3 C4 -56.7(7) . .
C1 C2 C3 Fe1 58.4(6) . .
C2 C3 C4 C5 -2.5(12) . .
Fe1 C3 C4 C5 -59.8(7) . .
C2 C3 C4 Fe1 57.4(7) . .
C3 C4 C5 C1 2.3(12) . .
Fe1 C4 C5 C1 -59.3(6) . .
C3 C4 C5 Fe1 61.5(8) . .
C2 C1 C5 C4 -1.1(10) . .
Pd1 C1 C5 C4 175.9(7) . .
Fe1 C1 C5 C4 59.7(7) . .
C2 C1 C5 Fe1 -60.8(6) . .
Pd1 C1 C5 Fe1 116.2(7) . .
C10 C6 C7 C8 3.7(12) . .
Fe1 C6 C7 C8 60.8(8) . .
C10 C6 C7 Fe1 -57.1(6) . .
C6 C7 C8 C9 -6.5(13) . .
Fe1 C7 C8 C9 53.6(8) . .
C6 C7 C8 Fe1 -60.1(8) . .
C7 C8 C9 C10 6.2(11) . .
Fe1 C8 C9 C10 60.6(6) . .
C7 C8 C9 Fe1 -54.4(8) . .
C8 C9 C10 C6 -4.0(10) . .
Fe1 C9 C10 C6 60.1(6) . .
C8 C9 C10 C11 172.7(8) . .
Fe1 C9 C10 C11 -123.2(8) . .
C8 C9 C10 Fe1 -64.1(7) . .
C7 C6 C10 C9 0.3(10) . .
Fe1 C6 C10 C9 -58.7(6) . .
C7 C6 C10 C11 -176.2(9) . .
Fe1 C6 C10 C11 124.8(9) . .
C7 C6 C10 Fe1 59.1(7) . .
C9 C10 C11 C12 -166.8(8) . .
C6 C10 C11 C12 9.2(13) . .
Fe1 C10 C11 C12 104.5(10) . .
C9 C10 C11 N1 70.7(11) . .
C6 C10 C11 N1 -113.3(10) . .
Fe1 C10 C11 N1 -18.0(14) . .
N1 C13 C14 O1 7(2) . .
N1 C13 C14 C15 -176.0(12) . .
O1 C14 C15 C16 0.5(14) . .
C13 C14 C15 C16 -176.7(11) . .
C14 C15 C16 C17 -3.4(14) . .
C15 C16 C17 O1 4.8(13) . .
C22 C18 C19 C20 3.8(12) . .
Pd2 C18 C19 C20 177.4(7) . .
Fe2 C18 C19 C20 -58.6(8) . .
C22 C18 C19 Fe2 62.4(6) . .
Pd2 C18 C19 Fe2 -124.0(7) . .
C18 C19 C20 C21 -1.6(12) . .
Fe2 C19 C20 C21 -60.1(7) . .
C18 C19 C20 Fe2 58.5(7) . .
C19 C20 C21 C22 -1.2(12) . .
Fe2 C20 C21 C22 -60.4(7) . .
C19 C20 C21 Fe2 59.1(7) . .
C20 C21 C22 C18 3.6(11) . .
Fe2 C21 C22 C18 -54.9(7) . .
C20 C21 C22 Fe2 58.4(7) . .
C19 C18 C22 C21 -4.6(11) . .
Pd2 C18 C22 C21 -178.5(7) . .
Fe2 C18 C22 C21 56.4(7) . .
C19 C18 C22 Fe2 -61.0(7) . .
Pd2 C18 C22 Fe2 125.1(7) . .
C27 C23 C24 C25 2.3(14) . .
Fe2 C23 C24 C25 61.9(8) . .
C27 C23 C24 Fe2 -59.5(8) . .
C23 C24 C25 C26 -1.4(13) . .
Fe2 C24 C25 C26 59.3(8) . .
C23 C24 C25 Fe2 -60.7(8) . .
C24 C25 C26 C27 0.1(13) . .
Fe2 C25 C26 C27 58.3(8) . .
C24 C25 C26 Fe2 -58.2(8) . .
C24 C23 C27 C26 -2.2(12) . .
Fe2 C23 C27 C26 -60.8(7) . .
C24 C23 C27 C28 179.4(11) . .
Fe2 C23 C27 C28 120.7(13) . .
C24 C23 C27 Fe2 58.6(8) . .
C25 C26 C27 C23 1.3(12) . .
Fe2 C26 C27 C23 61.0(7) . .
C25 C26 C27 C28 180.0(10) . .
Fe2 C26 C27 C28 -120.3(9) . .
C25 C26 C27 Fe2 -59.7(8) . .
C23 C27 C28 N2 -121.9(12) . .
C26 C27 C28 N2 59.9(12) . .
Fe2 C27 C28 N2 -25.3(11) . .
C23 C27 C28 C29 -2.7(17) . .
C26 C27 C28 C29 179.0(9) . .
Fe2 C27 C28 C29 93.8(9) . .
N2 C30 C31 O2 175.6(10) . .
N2 C30 C31 C32 -8.5(19) . .
O2 C31 C32 C33 -0.9(13) . .
C30 C31 C32 C33 -176.8(11) . .
C31 C32 C33 C34 0.4(13) . .
C32 C33 C34 O2 0.1(14) . .
C39 C35 C36 C37 1.8(11) . .
Pd3 C35 C36 C37 179.4(7) . .
Fe3 C35 C36 C37 61.0(7) . .
C39 C35 C36 Fe3 -59.2(7) . .
Pd3 C35 C36 Fe3 118.4(7) . .
C35 C36 C37 C38 -1.3(12) . .
Fe3 C36 C37 C38 57.9(8) . .
C35 C36 C37 Fe3 -59.2(7) . .
C36 C37 C38 C39 0.3(12) . .
Fe3 C37 C38 C39 57.2(7) . .
C36 C37 C38 Fe3 -56.9(8) . .
C36 C35 C39 C38 -1.7(12) . .
Pd3 C35 C39 C38 -179.2(7) . .
Fe3 C35 C39 C38 -60.7(8) . .
C36 C35 C39 Fe3 59.0(6) . .
Pd3 C35 C39 Fe3 -118.5(7) . .
C37 C38 C39 C35 0.9(12) . .
Fe3 C38 C39 C35 59.4(7) . .
C37 C38 C39 Fe3 -58.5(7) . .
C44 C40 C41 C42 0.9(12) . .
Fe3 C40 C41 C42 -58.1(8) . .
C44 C40 C41 Fe3 59.0(7) . .
C40 C41 C42 C43 1.7(13) . .
Fe3 C41 C42 C43 -56.7(8) . .
C40 C41 C42 Fe3 58.4(7) . .
C41 C42 C43 C44 -3.5(12) . .
Fe3 C42 C43 C44 -62.1(7) . .
C41 C42 C43 Fe3 58.6(9) . .
C41 C40 C44 C43 -3.2(12) . .
Fe3 C40 C44 C43 56.5(7) . .
C41 C40 C44 C45 -178.7(9) . .
Fe3 C40 C44 C45 -119.0(10) . .
C41 C40 C44 Fe3 -59.7(7) . .
C42 C43 C44 C40 4.0(12) . .
Fe3 C43 C44 C40 -57.4(8) . .
C42 C43 C44 C45 179.5(9) . .
Fe3 C43 C44 C45 118.1(10) . .
C42 C43 C44 Fe3 61.4(7) . .
C40 C44 C45 N3 65.4(11) . .
C43 C44 C45 N3 -109.5(11) . .
Fe3 C44 C45 N3 -23.0(11) . .
C40 C44 C45 C46 -171.9(10) . .
C43 C44 C45 C46 13.2(14) . .
Fe3 C44 C45 C46 99.8(11) . .
N3 C47 C48 O3 7.6(17) . .
N3 C47 C48 C49 -172.3(10) . .
O3 C48 C49 C50 0.6(13) . .
C47 C48 C49 C50 -179.5(10) . .
C48 C49 C50 C51 1.3(14) . .
C49 C50 C51 O3 -2.3(14) . .
C4 C5 Fe1 C10 159.5(7) . .
C1 C5 Fe1 C10 -80.2(6) . .
C4 C5 Fe1 C9 114.4(7) . .
C1 C5 Fe1 C9 -125.3(6) . .
C1 C5 Fe1 C4 120.3(9) . .
C4 C5 Fe1 C1 -120.3(9) . .
C4 C5 Fe1 C7 53(2) . .
C1 C5 Fe1 C7 173(2) . .
C4 C5 Fe1 C2 -81.4(7) . .
C1 C5 Fe1 C2 38.9(6) . .
C4 C5 Fe1 C6 -164.4(9) . .
C1 C5 Fe1 C6 -44.0(11) . .
C4 C5 Fe1 C3 -37.2(7) . .
C1 C5 Fe1 C3 83.1(6) . .
C4 C5 Fe1 C8 76.9(8) . .
C1 C5 Fe1 C8 -162.8(6) . .
C9 C10 Fe1 C5 -85.4(7) . .
C6 C10 Fe1 C5 155.5(6) . .
C11 C10 Fe1 C5 31.7(12) . .
C6 C10 Fe1 C9 -119.1(9) . .
C11 C10 Fe1 C9 117.0(13) . .
C9 C10 Fe1 C4 -58.0(11) . .
C6 C10 Fe1 C4 -177.0(7) . .
C11 C10 Fe1 C4 59.1(14) . .
C9 C10 Fe1 C1 -128.2(7) . .
C6 C10 Fe1 C1 112.7(6) . .
C11 C10 Fe1 C1 -11.1(11) . .
C9 C10 Fe1 C7 81.6(7) . .
C6 C10 Fe1 C7 -37.5(6) . .
C11 C10 Fe1 C7 -161.3(12) . .
C9 C10 Fe1 C2 -166.3(6) . .
C6 C10 Fe1 C2 74.6(7) . .
C11 C10 Fe1 C2 -49.3(12) . .
C9 C10 Fe1 C6 119.1(9) . .
C11 C10 Fe1 C6 -123.9(12) . .
C9 C10 Fe1 C3 177.1(16) . .
C6 C10 Fe1 C3 58.0(19) . .
C11 C10 Fe1 C3 -66(2) . .
C9 C10 Fe1 C8 38.9(7) . .
C6 C10 Fe1 C8 -80.2(7) . .
C11 C10 Fe1 C8 155.9(12) . .
C8 C9 Fe1 C5 -133.2(7) . .
C10 C9 Fe1 C5 111.2(7) . .
C8 C9 Fe1 C10 115.6(10) . .
C8 C9 Fe1 C4 -92.1(8) . .
C10 C9 Fe1 C4 152.3(7) . .
C8 C9 Fe1 C1 -175.2(6) . .
C10 C9 Fe1 C1 69.2(8) . .
C8 C9 Fe1 C7 35.0(7) . .
C10 C9 Fe1 C7 -80.6(7) . .
C8 C9 Fe1 C2 160.5(15) . .
C10 C9 Fe1 C2 45(2) . .
C8 C9 Fe1 C6 76.7(7) . .
C10 C9 Fe1 C6 -38.9(6) . .
C8 C9 Fe1 C3 -62.8(13) . .
C10 C9 Fe1 C3 -178.4(9) . .
C10 C9 Fe1 C8 -115.6(10) . .
C3 C4 Fe1 C5 -119.6(9) . .
C5 C4 Fe1 C10 -40.4(11) . .
C3 C4 Fe1 C10 -160.0(8) . .
C5 C4 Fe1 C9 -81.2(7) . .
C3 C4 Fe1 C9 159.2(6) . .
C5 C4 Fe1 C1 38.3(6) . .
C3 C4 Fe1 C1 -81.3(7) . .
C5 C4 Fe1 C7 -166.5(7) . .
C3 C4 Fe1 C7 73.9(9) . .
C5 C4 Fe1 C2 82.3(7) . .
C3 C4 Fe1 C2 -37.3(6) . .
C5 C4 Fe1 C6 147.9(15) . .
C3 C4 Fe1 C6 28.3(19) . .
C5 C4 Fe1 C3 119.6(9) . .
C5 C4 Fe1 C8 -125.4(7) . .
C3 C4 Fe1 C8 114.9(7) . .
C2 C1 Fe1 C5 116.6(8) . .
Pd1 C1 Fe1 C5 -122.6(9) . .
C2 C1 Fe1 C10 -128.9(6) . .
C5 C1 Fe1 C10 114.5(6) . .
Pd1 C1 Fe1 C10 -8.1(7) . .
C2 C1 Fe1 C9 -170.0(6) . .
C5 C1 Fe1 C9 73.5(7) . .
Pd1 C1 Fe1 C9 -49.2(9) . .
C2 C1 Fe1 C4 80.4(6) . .
C5 C1 Fe1 C4 -36.2(6) . .
Pd1 C1 Fe1 C4 -158.8(8) . .
C2 C1 Fe1 C7 -60.5(10) . .
C5 C1 Fe1 C7 -177.0(8) . .
Pd1 C1 Fe1 C7 60.3(12) . .
C5 C1 Fe1 C2 -116.6(8) . .
Pd1 C1 Fe1 C2 120.8(9) . .
C2 C1 Fe1 C6 -85.0(6) . .
C5 C1 Fe1 C6 158.5(6) . .
Pd1 C1 Fe1 C6 35.8(8) . .
C2 C1 Fe1 C3 37.5(6) . .
C5 C1 Fe1 C3 -79.0(6) . .
Pd1 C1 Fe1 C3 158.3(8) . .
C2 C1 Fe1 C8 178.0(15) . .
C5 C1 Fe1 C8 61.5(17) . .
Pd1 C1 Fe1 C8 -61.2(18) . .
C6 C7 Fe1 C5 152.7(18) . .
C8 C7 Fe1 C5 30(2) . .
C6 C7 Fe1 C10 40.9(7) . .
C8 C7 Fe1 C10 -82.2(7) . .
C6 C7 Fe1 C9 87.6(8) . .
C8 C7 Fe1 C9 -35.6(7) . .
C6 C7 Fe1 C4 -164.1(7) . .
C8 C7 Fe1 C4 72.8(9) . .
C6 C7 Fe1 C1 -36.4(13) . .
C8 C7 Fe1 C1 -159.5(8) . .
C6 C7 Fe1 C2 -77.4(8) . .
C8 C7 Fe1 C2 159.5(6) . .
C8 C7 Fe1 C6 -123.1(10) . .
C6 C7 Fe1 C3 -122.4(8) . .
C8 C7 Fe1 C3 114.5(7) . .
C6 C7 Fe1 C8 123.1(10) . .
C1 C2 Fe1 C5 -40.2(6) . .
C3 C2 Fe1 C5 79.4(7) . .
C1 C2 Fe1 C10 67.0(7) . .
C3 C2 Fe1 C10 -173.3(7) . .
C1 C2 Fe1 C9 31.1(19) . .
C3 C2 Fe1 C9 150.8(16) . .
C1 C2 Fe1 C4 -83.2(6) . .
C3 C2 Fe1 C4 36.5(7) . .
C3 C2 Fe1 C1 119.7(8) . .
C1 C2 Fe1 C7 150.1(6) . .
C3 C2 Fe1 C7 -90.2(7) . .
C1 C2 Fe1 C6 110.1(6) . .
C3 C2 Fe1 C6 -130.2(7) . .
C1 C2 Fe1 C3 -119.7(8) . .
C1 C2 Fe1 C8 -178.8(9) . .
C3 C2 Fe1 C8 -59.1(12) . .
C7 C6 Fe1 C5 -168.0(9) . .
C10 C6 Fe1 C5 -51.0(11) . .
C7 C6 Fe1 C10 -117.0(9) . .
C7 C6 Fe1 C9 -78.1(8) . .
C10 C6 Fe1 C9 38.9(6) . .
C7 C6 Fe1 C4 57.1(19) . .
C10 C6 Fe1 C4 174.1(15) . .
C7 C6 Fe1 C1 161.0(7) . .
C10 C6 Fe1 C1 -82.0(6) . .
C10 C6 Fe1 C7 117.0(9) . .
C7 C6 Fe1 C2 118.5(8) . .
C10 C6 Fe1 C2 -124.5(6) . .
C7 C6 Fe1 C3 79.6(9) . .
C10 C6 Fe1 C3 -163.4(6) . .
C7 C6 Fe1 C8 -35.2(8) . .
C10 C6 Fe1 C8 81.8(6) . .
C4 C3 Fe1 C5 37.1(6) . .
C2 C3 Fe1 C5 -83.3(7) . .
C4 C3 Fe1 C10 141.5(16) . .
C2 C3 Fe1 C10 21(2) . .
C4 C3 Fe1 C9 -42.7(13) . .
C2 C3 Fe1 C9 -163.2(9) . .
C2 C3 Fe1 C4 -120.4(9) . .
C4 C3 Fe1 C1 82.9(7) . .
C2 C3 Fe1 C1 -37.6(6) . .
C4 C3 Fe1 C7 -129.2(7) . .
C2 C3 Fe1 C7 110.3(7) . .
C4 C3 Fe1 C2 120.4(9) . .
C4 C3 Fe1 C6 -171.7(6) . .
C2 C3 Fe1 C6 67.9(8) . .
C4 C3 Fe1 C8 -85.8(8) . .
C2 C3 Fe1 C8 153.8(7) . .
C7 C8 Fe1 C5 -172.0(7) . .
C9 C8 Fe1 C5 64.8(9) . .
C7 C8 Fe1 C10 81.6(7) . .
C9 C8 Fe1 C10 -41.6(7) . .
C7 C8 Fe1 C9 123.2(10) . .
C7 C8 Fe1 C4 -129.8(7) . .
C9 C8 Fe1 C4 107.0(8) . .
C7 C8 Fe1 C1 138.4(15) . .
C9 C8 Fe1 C1 15.2(19) . .
C9 C8 Fe1 C7 -123.2(10) . .
C7 C8 Fe1 C2 -44.5(12) . .
C9 C8 Fe1 C2 -167.7(9) . .
C7 C8 Fe1 C6 35.0(7) . .
C9 C8 Fe1 C6 -88.2(8) . .
C7 C8 Fe1 C3 -86.2(8) . .
C9 C8 Fe1 C3 150.6(7) . .
C27 C23 Fe2 C24 123.2(10) . .
C27 C23 Fe2 C19 -113.4(7) . .
C24 C23 Fe2 C19 123.4(7) . .
C27 C23 Fe2 C26 41.6(7) . .
C24 C23 Fe2 C26 -81.6(8) . .
C27 C23 Fe2 C18 -72.1(8) . .
C24 C23 Fe2 C18 164.7(6) . .
C24 C23 Fe2 C27 -123.2(10) . .
C27 C23 Fe2 C20 -154.5(7) . .
C24 C23 Fe2 C20 82.3(8) . .
C27 C23 Fe2 C25 83.8(8) . .
C24 C23 Fe2 C25 -39.4(7) . .
C27 C23 Fe2 C21 179.5(14) . .
C24 C23 Fe2 C21 56.3(18) . .
C27 C23 Fe2 C22 -45.1(13) . .
C24 C23 Fe2 C22 -168.2(9) . .
C25 C24 Fe2 C23 -117.0(10) . .
C23 C24 Fe2 C19 -73.0(8) . .
C25 C24 Fe2 C19 170.0(7) . .
C23 C24 Fe2 C26 79.9(7) . .
C25 C24 Fe2 C26 -37.1(7) . .
C23 C24 Fe2 C18 -32.8(13) . .
C25 C24 Fe2 C18 -149.8(9) . .
C23 C24 Fe2 C27 34.6(7) . .
C25 C24 Fe2 C27 -82.4(7) . .
C23 C24 Fe2 C20 -117.5(7) . .
C25 C24 Fe2 C20 125.5(7) . .
C23 C24 Fe2 C25 117.0(10) . .
C23 C24 Fe2 C21 -161.7(7) . .
C25 C24 Fe2 C21 81.3(9) . .
C23 C24 Fe2 C22 161.2(14) . .
C25 C24 Fe2 C22 44(2) . .
C18 C19 Fe2 C23 114.8(6) . .
C20 C19 Fe2 C23 -123.5(7) . .
C18 C19 Fe2 C24 154.4(6) . .
C20 C19 Fe2 C24 -83.9(8) . .
C18 C19 Fe2 C26 50.9(12) . .
C20 C19 Fe2 C26 172.7(10) . .
C20 C19 Fe2 C18 121.8(9) . .
C18 C19 Fe2 C27 74.8(6) . .
C20 C19 Fe2 C27 -163.4(6) . .
C18 C19 Fe2 C20 -121.8(9) . .
C18 C19 Fe2 C25 175.8(13) . .
C20 C19 Fe2 C25 -62.4(17) . .
C18 C19 Fe2 C21 -82.0(6) . .
C20 C19 Fe2 C21 39.8(6) . .
C18 C19 Fe2 C22 -39.5(5) . .
C20 C19 Fe2 C22 82.3(7) . .
C25 C26 Fe2 C23 83.6(7) . .
C27 C26 Fe2 C23 -39.0(6) . .
C25 C26 Fe2 C24 39.5(7) . .
C27 C26 Fe2 C24 -83.1(6) . .
C25 C26 Fe2 C19 155.8(10) . .
C27 C26 Fe2 C19 33.3(13) . .
C25 C26 Fe2 C18 -168.3(6) . .
C27 C26 Fe2 C18 69.1(7) . .
C25 C26 Fe2 C27 122.6(9) . .
C25 C26 Fe2 C20 -41.4(19) . .
C27 C26 Fe2 C20 -164.0(14) . .
C27 C26 Fe2 C25 -122.6(9) . .
C25 C26 Fe2 C21 -82.3(8) . .
C27 C26 Fe2 C21 155.1(6) . .
C25 C26 Fe2 C22 -123.8(7) . .
C27 C26 Fe2 C22 113.6(6) . .
C19 C18 Fe2 C23 -80.5(7) . .
C22 C18 Fe2 C23 162.7(6) . .
Pd2 C18 Fe2 C23 42.2(7) . .
C19 C18 Fe2 C24 -57.3(12) . .
C22 C18 Fe2 C24 -174.2(9) . .
Pd2 C18 Fe2 C24 65.3(12) . .
C22 C18 Fe2 C19 -116.9(8) . .
Pd2 C18 Fe2 C19 122.6(9) . .
C19 C18 Fe2 C26 -157.2(6) . .
C22 C18 Fe2 C26 86.0(6) . .
Pd2 C18 Fe2 C26 -34.5(8) . .
C19 C18 Fe2 C27 -118.0(6) . .
C22 C18 Fe2 C27 125.1(6) . .
Pd2 C18 Fe2 C27 4.6(7) . .
C19 C18 Fe2 C20 36.9(6) . .
C22 C18 Fe2 C20 -80.0(6) . .
Pd2 C18 Fe2 C20 159.5(7) . .
C19 C18 Fe2 C25 -176.6(11) . .
C22 C18 Fe2 C25 66.5(12) . .
Pd2 C18 Fe2 C25 -54.0(14) . .
C19 C18 Fe2 C21 82.2(6) . .
C22 C18 Fe2 C21 -34.7(6) . .
Pd2 C18 Fe2 C21 -155.2(7) . .
C19 C18 Fe2 C22 116.9(8) . .
Pd2 C18 Fe2 C22 -120.5(8) . .
C26 C27 Fe2 C23 114.2(9) . .
C28 C27 Fe2 C23 -132.0(12) . .
C23 C27 Fe2 C24 -35.6(7) . .
C26 C27 Fe2 C24 78.7(7) . .
C28 C27 Fe2 C24 -167.6(10) . .
C23 C27 Fe2 C19 80.9(8) . .
C26 C27 Fe2 C19 -164.8(6) . .
C28 C27 Fe2 C19 -51.1(9) . .
C23 C27 Fe2 C26 -114.2(9) . .
C28 C27 Fe2 C26 113.7(10) . .
C23 C27 Fe2 C18 120.4(7) . .
C26 C27 Fe2 C18 -125.4(6) . .
C28 C27 Fe2 C18 -11.7(9) . .
C23 C27 Fe2 C20 55.5(13) . .
C26 C27 Fe2 C20 169.7(9) . .
C28 C27 Fe2 C20 -76.6(13) . .
C23 C27 Fe2 C25 -79.9(7) . .
C26 C27 Fe2 C25 34.3(6) . .
C28 C27 Fe2 C25 148.0(10) . .
C23 C27 Fe2 C21 -179.6(11) . .
C26 C27 Fe2 C21 -65.4(13) . .
C28 C27 Fe2 C21 48.3(16) . .
C23 C27 Fe2 C22 159.2(7) . .
C26 C27 Fe2 C22 -86.6(7) . .
C28 C27 Fe2 C22 27.2(10) . .
C19 C20 Fe2 C23 73.8(7) . .
C21 C20 Fe2 C23 -169.0(6) . .
C19 C20 Fe2 C24 116.7(7) . .
C21 C20 Fe2 C24 -126.1(6) . .
C21 C20 Fe2 C19 117.2(9) . .
C19 C20 Fe2 C26 -168.9(14) . .
C21 C20 Fe2 C26 -51.7(18) . .
C19 C20 Fe2 C18 -35.9(6) . .
C21 C20 Fe2 C18 81.3(6) . .
C19 C20 Fe2 C27 35.7(13) . .
C21 C20 Fe2 C27 152.9(9) . .
C19 C20 Fe2 C25 159.5(6) . .
C21 C20 Fe2 C25 -83.3(7) . .
C19 C20 Fe2 C21 -117.2(9) . .
C19 C20 Fe2 C22 -80.2(6) . .
C21 C20 Fe2 C22 37.0(5) . .
C26 C25 Fe2 C23 -79.1(7) . .
C24 C25 Fe2 C23 38.5(7) . .
C26 C25 Fe2 C24 -117.6(10) . .
C26 C25 Fe2 C19 -145.6(13) . .
C24 C25 Fe2 C19 -28.0(18) . .
C24 C25 Fe2 C26 117.6(10) . .
C26 C25 Fe2 C18 27.2(15) . .
C24 C25 Fe2 C18 144.8(10) . .
C26 C25 Fe2 C27 -36.9(7) . .
C24 C25 Fe2 C27 80.7(7) . .
C26 C25 Fe2 C20 166.2(7) . .
C24 C25 Fe2 C20 -76.2(8) . .
C26 C25 Fe2 C21 119.4(7) . .
C24 C25 Fe2 C21 -123.0(7) . .
C26 C25 Fe2 C22 76.1(8) . .
C24 C25 Fe2 C22 -166.3(6) . .
C22 C21 Fe2 C23 151.5(14) . .
C20 C21 Fe2 C23 33.2(18) . .
C22 C21 Fe2 C24 -165.0(6) . .
C20 C21 Fe2 C24 76.7(8) . .
C22 C21 Fe2 C19 79.4(6) . .
C20 C21 Fe2 C19 -39.0(6) . .
C22 C21 Fe2 C26 -77.7(7) . .
C20 C21 Fe2 C26 163.9(6) . .
C22 C21 Fe2 C18 36.1(6) . .
C20 C21 Fe2 C18 -82.2(6) . .
C22 C21 Fe2 C27 -29.3(15) . .
C20 C21 Fe2 C27 -147.6(11) . .
C22 C21 Fe2 C20 118.3(9) . .
C22 C21 Fe2 C25 -120.0(7) . .
C20 C21 Fe2 C25 121.7(7) . .
C20 C21 Fe2 C22 -118.3(9) . .
C21 C22 Fe2 C23 -161.1(10) . .
C18 C22 Fe2 C23 -38.0(12) . .
C21 C22 Fe2 C24 47.7(19) . .
C18 C22 Fe2 C24 170.8(15) . .
C21 C22 Fe2 C19 -84.5(7) . .
C18 C22 Fe2 C19 38.6(5) . .
C21 C22 Fe2 C26 122.7(7) . .
C18 C22 Fe2 C26 -114.1(6) . .
C21 C22 Fe2 C18 -123.1(8) . .
C21 C22 Fe2 C27 167.7(7) . .
C18 C22 Fe2 C27 -69.1(6) . .
C21 C22 Fe2 C20 -39.6(7) . .
C18 C22 Fe2 C20 83.5(6) . .
C21 C22 Fe2 C25 82.5(8) . .
C18 C22 Fe2 C25 -154.3(6) . .
C18 C22 Fe2 C21 123.1(8) . .
C41 C42 Fe3 C43 -124.4(9) . .
C41 C42 Fe3 C39 158.1(6) . .
C43 C42 Fe3 C39 -77.5(7) . .
C41 C42 Fe3 C44 -83.0(7) . .
C43 C42 Fe3 C44 41.4(7) . .
C41 C42 Fe3 C35 -160.1(8) . .
C43 C42 Fe3 C35 -35.7(11) . .
C41 C42 Fe3 C36 21.8(19) . .
C43 C42 Fe3 C36 146.2(15) . .
C41 C42 Fe3 C40 -38.3(6) . .
C43 C42 Fe3 C40 86.0(7) . .
C43 C42 Fe3 C41 124.4(9) . .
C41 C42 Fe3 C37 70.2(9) . .
C43 C42 Fe3 C37 -165.4(7) . .
C41 C42 Fe3 C38 112.9(7) . .
C43 C42 Fe3 C38 -122.7(7) . .
C44 C43 Fe3 C42 113.0(10) . .
C44 C43 Fe3 C39 -126.9(7) . .
C42 C43 Fe3 C39 120.1(7) . .
C42 C43 Fe3 C44 -113.0(10) . .
C44 C43 Fe3 C35 -84.5(7) . .
C42 C43 Fe3 C35 162.5(6) . .
C44 C43 Fe3 C36 -51.8(12) . .
C42 C43 Fe3 C36 -164.8(7) . .
C44 C43 Fe3 C40 35.6(6) . .
C42 C43 Fe3 C40 -77.4(7) . .
C44 C43 Fe3 C41 79.3(7) . .
C42 C43 Fe3 C41 -33.6(7) . .
C42 C43 Fe3 C37 67(3) . .
C44 C43 Fe3 C38 -166.2(6) . .
C42 C43 Fe3 C38 80.8(8) . .
C35 C39 Fe3 C42 151.0(6) . .
C38 C39 Fe3 C42 -87.5(8) . .
C35 C39 Fe3 C43 108.0(6) . .
C38 C39 Fe3 C43 -130.5(7) . .
C35 C39 Fe3 C44 67.2(8) . .
C38 C39 Fe3 C44 -171.2(7) . .
C38 C39 Fe3 C35 121.6(9) . .
C35 C39 Fe3 C36 -39.5(6) . .
C38 C39 Fe3 C36 82.1(7) . .
C35 C39 Fe3 C40 33.4(18) . .
C38 C39 Fe3 C40 155.0(15) . .
C35 C39 Fe3 C41 -175.6(9) . .
C38 C39 Fe3 C41 -54.0(13) . .
C35 C39 Fe3 C37 -82.2(6) . .
C38 C39 Fe3 C37 39.4(7) . .
C35 C39 Fe3 C38 -121.6(9) . .
C40 C44 Fe3 C42 81.1(8) . .
C43 C44 Fe3 C42 -42.1(7) . .
C45 C44 Fe3 C42 -160.3(10) . .
C40 C44 Fe3 C43 123.2(10) . .
C45 C44 Fe3 C43 -118.2(12) . .
C40 C44 Fe3 C39 -165.5(7) . .
C43 C44 Fe3 C39 71.2(8) . .
C45 C44 Fe3 C39 -47.0(11) . .
C40 C44 Fe3 C35 -127.3(7) . .
C43 C44 Fe3 C35 109.5(7) . .
C45 C44 Fe3 C35 -8.7(10) . .
C40 C44 Fe3 C36 -83.7(8) . .
C43 C44 Fe3 C36 153.1(7) . .
C45 C44 Fe3 C36 34.9(10) . .
C43 C44 Fe3 C40 -123.2(10) . .
C45 C44 Fe3 C40 118.6(12) . .
C40 C44 Fe3 C41 38.7(7) . .
C43 C44 Fe3 C41 -84.5(8) . .
C45 C44 Fe3 C41 157.3(10) . .
C40 C44 Fe3 C37 -56.7(11) . .
C43 C44 Fe3 C37 -179.9(9) . .
C45 C44 Fe3 C37 61.9(13) . .
C40 C44 Fe3 C38 171.1(16) . .
C43 C44 Fe3 C38 48(2) . .
C45 C44 Fe3 C38 -70(2) . .
C39 C35 Fe3 C42 -61.0(10) . .
C36 C35 Fe3 C42 -179.3(8) . .
Pd3 C35 Fe3 C42 60.7(11) . .
C39 C35 Fe3 C43 -86.3(6) . .
C36 C35 Fe3 C43 155.4(6) . .
Pd3 C35 Fe3 C43 35.4(8) . .
C36 C35 Fe3 C39 -118.3(7) . .
Pd3 C35 Fe3 C39 121.8(9) . .
C39 C35 Fe3 C44 -129.3(6) . .
C36 C35 Fe3 C44 112.4(6) . .
Pd3 C35 Fe3 C44 -7.5(7) . .
C39 C35 Fe3 C36 118.3(7) . .
Pd3 C35 Fe3 C36 -119.9(8) . .
C39 C35 Fe3 C40 -168.7(6) . .
C36 C35 Fe3 C40 73.0(7) . .
Pd3 C35 Fe3 C40 -46.9(8) . .
C39 C35 Fe3 C41 172.9(14) . .
C36 C35 Fe3 C41 54.6(17) . .
Pd3 C35 Fe3 C41 -65.3(18) . .
C39 C35 Fe3 C37 81.0(6) . .
C36 C35 Fe3 C37 -37.3(6) . .
Pd3 C35 Fe3 C37 -157.2(8) . .
C39 C35 Fe3 C38 36.9(6) . .
C36 C35 Fe3 C38 -81.4(6) . .
Pd3 C35 Fe3 C38 158.6(8) . .
C37 C36 Fe3 C42 60.6(18) . .
C35 C36 Fe3 C42 178.7(15) . .
C37 C36 Fe3 C43 -165.5(9) . .
C35 C36 Fe3 C43 -47.4(10) . .
C37 C36 Fe3 C39 -80.3(7) . .
C35 C36 Fe3 C39 37.8(5) . .
C37 C36 Fe3 C44 159.3(7) . .
C35 C36 Fe3 C44 -82.6(6) . .
C37 C36 Fe3 C35 -118.1(8) . .
C37 C36 Fe3 C40 116.7(7) . .
C35 C36 Fe3 C40 -125.2(5) . .
C37 C36 Fe3 C41 77.8(8) . .
C35 C36 Fe3 C41 -164.1(5) . .
C35 C36 Fe3 C37 118.1(8) . .
C37 C36 Fe3 C38 -35.9(6) . .
C35 C36 Fe3 C38 82.2(5) . .
C44 C40 Fe3 C42 -81.4(8) . .
C41 C40 Fe3 C42 36.6(7) . .
C44 C40 Fe3 C43 -36.0(7) . .
C41 C40 Fe3 C43 81.9(7) . .
C44 C40 Fe3 C39 43.6(19) . .
C41 C40 Fe3 C39 161.6(15) . .
C41 C40 Fe3 C44 118.0(10) . .
C44 C40 Fe3 C35 69.4(8) . .
C41 C40 Fe3 C35 -172.6(6) . .
C44 C40 Fe3 C36 111.4(7) . .
C41 C40 Fe3 C36 -130.6(7) . .
C44 C40 Fe3 C41 -118.0(10) . .
C44 C40 Fe3 C37 151.8(7) . .
C41 C40 Fe3 C37 -90.3(8) . .
C44 C40 Fe3 C38 -175.0(10) . .
C41 C40 Fe3 C38 -57.0(13) . .
C40 C41 Fe3 C42 -119.4(9) . .
C42 C41 Fe3 C43 36.2(6) . .
C40 C41 Fe3 C43 -83.2(7) . .
C42 C41 Fe3 C39 -48.1(13) . .
C40 C41 Fe3 C39 -167.5(9) . .
C42 C41 Fe3 C44 80.8(7) . .
C40 C41 Fe3 C44 -38.6(7) . .
C42 C41 Fe3 C35 142.7(14) . .
C40 C41 Fe3 C35 23.3(19) . .
C42 C41 Fe3 C36 -173.4(6) . .
C40 C41 Fe3 C36 67.2(8) . .
C42 C41 Fe3 C40 119.4(9) . .
C42 C41 Fe3 C37 -131.4(7) . .
C40 C41 Fe3 C37 109.2(7) . .
C42 C41 Fe3 C38 -86.6(8) . .
C40 C41 Fe3 C38 154.0(7) . .
C36 C37 Fe3 C42 -163.2(6) . .
C38 C37 Fe3 C42 73.4(8) . .
C36 C37 Fe3 C43 140(2) . .
C38 C37 Fe3 C43 17(3) . .
C36 C37 Fe3 C39 83.8(7) . .
C38 C37 Fe3 C39 -39.6(6) . .
C36 C37 Fe3 C44 -40.0(12) . .
C38 C37 Fe3 C44 -163.3(8) . .
C36 C37 Fe3 C35 39.8(6) . .
C38 C37 Fe3 C35 -83.5(6) . .
C38 C37 Fe3 C36 -123.3(9) . .
C36 C37 Fe3 C40 -78.6(8) . .
C38 C37 Fe3 C40 158.0(6) . .
C36 C37 Fe3 C41 -123.6(7) . .
C38 C37 Fe3 C41 113.1(6) . .
C36 C37 Fe3 C38 123.3(9) . .
C39 C38 Fe3 C42 113.4(7) . .
C37 C38 Fe3 C42 -130.0(6) . .
C39 C38 Fe3 C43 67.7(9) . .
C37 C38 Fe3 C43 -175.7(7) . .
C37 C38 Fe3 C39 116.6(9) . .
C39 C38 Fe3 C44 29(2) . .
C37 C38 Fe3 C44 145.9(17) . .
C39 C38 Fe3 C35 -36.3(7) . .
C37 C38 Fe3 C35 80.3(6) . .
C39 C38 Fe3 C36 -81.8(7) . .
C37 C38 Fe3 C36 34.7(6) . .
C39 C38 Fe3 C40 -163.8(10) . .
C37 C38 Fe3 C40 -47.3(13) . .
C39 C38 Fe3 C41 156.1(7) . .
C37 C38 Fe3 C41 -87.3(8) . .
C39 C38 Fe3 C37 -116.6(9) . .
C14 C13 N1 C11 -178.1(10) . .
C14 C13 N1 Pd1 -3.7(16) . .
C10 C11 N1 C13 -110.1(11) . .
C12 C11 N1 C13 122.5(10) . .
C10 C11 N1 Pd1 75.0(10) . .
C12 C11 N1 Pd1 -52.4(10) . .
C31 C30 N2 C28 176.6(9) . .
C31 C30 N2 Pd2 -6.1(15) . .
C27 C28 N2 C30 -100.1(10) . .
C29 C28 N2 C30 140.2(9) . .
C27 C28 N2 Pd2 82.4(8) . .
C29 C28 N2 Pd2 -37.2(10) . .
C48 C47 N3 C45 177.4(9) . .
C48 C47 N3 Pd3 -4.2(15) . .
C46 C45 N3 C47 133.1(9) . .
C44 C45 N3 C47 -101.5(9) . .
C46 C45 N3 Pd3 -45.5(9) . .
C44 C45 N3 Pd3 79.9(8) . .
C15 C14 O1 C17 2.3(13) . .
C13 C14 O1 C17 179.1(11) . .
C16 C17 O1 C14 -4.2(12) . .
C32 C31 O2 C34 0.9(11) . .
C30 C31 O2 C34 177.7(9) . .
C33 C34 O2 C31 -0.6(13) . .
C49 C48 O3 C51 -1.9(11) . .
C47 C48 O3 C51 178.2(10) . .
C50 C51 O3 C48 2.5(12) . .
C2 C1 Pd1 N1 127.8(8) . .
C5 C1 Pd1 N1 -48.6(8) . .
Fe1 C1 Pd1 N1 38.6(6) . .
C2 C1 Pd1 Cl1 -48.3(7) . .
C5 C1 Pd1 Cl1 135.3(8) . .
Fe1 C1 Pd1 Cl1 -137.5(6) . .
C2 C1 Pd1 Pd2 -11.8(9) . .
C5 C1 Pd1 Pd2 171.7(6) . .
Fe1 C1 Pd1 Pd2 -101.0(6) . .
C13 N1 Pd1 C1 104.2(9) . .
C11 N1 Pd1 C1 -81.6(7) . .
C13 N1 Pd1 Cl2 -78.0(9) . .
C11 N1 Pd1 Cl2 96.3(7) . .
C13 N1 Pd1 Pd2 -114.1(8) . .
C11 N1 Pd1 Pd2 60.1(7) . .
Pd2 Cl1 Pd1 C1 144.3(3) . .
Pd2 Cl1 Pd1 Cl2 -33.75(7) . .
Pd2 Cl2 Pd1 N1 -139.4(2) . .
Pd2 Cl2 Pd1 Cl1 36.74(8) . .
C19 C18 Pd2 N2 117.7(9) . .
C22 C18 Pd2 N2 -69.7(8) . .
Fe2 C18 Pd2 N2 24.4(6) . .
C19 C18 Pd2 Cl2 -59.6(8) . .
C22 C18 Pd2 Cl2 113.0(8) . .
Fe2 C18 Pd2 Cl2 -152.9(5) . .
C19 C18 Pd2 Pd1 -24.1(10) . .
C22 C18 Pd2 Pd1 148.5(6) . .
Fe2 C18 Pd2 Pd1 -117.4(5) . .
C30 N2 Pd2 C18 106.6(9) . .
C28 N2 Pd2 C18 -76.3(7) . .
C30 N2 Pd2 Cl1 -74.1(8) . .
C28 N2 Pd2 Cl1 103.0(6) . .
C30 N2 Pd2 Pd1 -110.0(8) . .
C28 N2 Pd2 Pd1 67.1(7) . .
Pd1 Cl2 Pd2 C18 145.4(3) . .
Pd1 Cl2 Pd2 Cl1 -33.94(7) . .
Pd1 Cl1 Pd2 N2 -140.9(2) . .
Pd1 Cl1 Pd2 Cl2 36.43(9) . .
C1 Pd1 Pd2 C18 131.8(5) . .
N1 Pd1 Pd2 C18 5.7(5) . .
Cl1 Pd1 Pd2 C18 -178.7(4) . .
Cl2 Pd1 Pd2 C18 -48.5(4) . .
C1 Pd1 Pd2 N2 3.7(4) . .
N1 Pd1 Pd2 N2 -122.4(4) . .
Cl1 Pd1 Pd2 N2 53.2(3) . .
Cl2 Pd1 Pd2 N2 -176.6(3) . .
C1 Pd1 Pd2 Cl2 -179.7(3) . .
N1 Pd1 Pd2 Cl2 54.2(3) . .
Cl1 Pd1 Pd2 Cl2 -130.17(12) . .
C1 Pd1 Pd2 Cl1 -49.6(3) . .
N1 Pd1 Pd2 Cl1 -175.6(3) . .
Cl2 Pd1 Pd2 Cl1 130.17(12) . .
C39 C35 Pd3 N3 126.9(9) . .
C36 C35 Pd3 N3 -50.2(8) . .
Fe3 C35 Pd3 N3 37.7(6) . .
C39 C35 Pd3 Cl3 -48.9(9) . .
C36 C35 Pd3 Cl3 134.0(8) . .
Fe3 C35 Pd3 Cl3 -138.1(6) . .
C39 C35 Pd3 Pd3 -13.9(11) . 2_757
C36 C35 Pd3 Pd3 169.0(6) . 2_757
Fe3 C35 Pd3 Pd3 -103.1(5) . 2_757
C47 N3 Pd3 C35 99.1(9) . .
C45 N3 Pd3 C35 -82.5(7) . .
C47 N3 Pd3 Cl3 -80.3(8) . 2_757
C45 N3 Pd3 Cl3 98.1(6) . 2_757
C47 N3 Pd3 Pd3 -116.8(8) . 2_757
C45 N3 Pd3 Pd3 61.6(7) . 2_757
Pd3 Cl3 Pd3 C35 146.9(3) 2_757 .
Pd3 Cl3 Pd3 Cl3 -33.90(12) 2_757 2_757
