#------------------------------------------------------------------------------
#$Date: 2025-10-06 09:31:27 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302480 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/55/1575548.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_1575548
loop_
_publ_author_name
'Li, Longfei'
'Zhang, Beijing'
'Xie, Yi'
'Xiong, Qi'
'Zhong, Yuanbo'
'Jiang, Yansong'
'Wang, Yu'
'Wang, Haobing'
'Jiang, Shang-Da'
'Zhou, Shen'
'Jiang, Xing'
_publ_section_title
;
 An acetylene-bridged ferrocene macrocycle: efficient synthesis and
 electron transfer mechanism in mixed-valence systems.
;
_journal_issue                   37
_journal_name_full               'Chemical science'
_journal_page_first              17268
_journal_page_last               17275
_journal_paper_doi               10.1039/d5sc02322j
_journal_volume                  16
_journal_year                    2025
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C36 H24 Fe3'
_chemical_formula_sum            'C36 H24 Fe3'
_chemical_formula_weight         624.10
_space_group_crystal_system      trigonal
_space_group_IT_number           152
_space_group_name_Hall           'P 31 2"'
_space_group_name_H-M_alt        'P 31 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2025-07-08
_audit_creation_method
;
Olex2 1.5
(compiled 2025.05.31 svn.r86d253d1 for OlexSys, GUI svn.r7254)
;
_audit_update_record
;
2025-08-06 deposited with the CCDC.	2025-08-12 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.3956(2)
_cell_length_b                   10.3956(2)
_cell_length_c                   20.2799(6)
_cell_measurement_reflns_used    10502
_cell_measurement_temperature    149.99(10)
_cell_measurement_theta_max      31.0380
_cell_measurement_theta_min      2.9970
_cell_volume                     1898.00(8)
_computing_cell_refinement       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.73a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      149.99(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -17.00  35.00   0.50    1.16    --    4.00 -99.00  90.00  104
  2  ω    -17.00  35.00   0.50    1.16    --    4.00 -99.00 -90.00  104
  3  ω    -67.00  18.00   0.50    1.16    --    4.00 -56.00 -41.00  170
  4  ω    -10.00  15.00   0.50    1.16    --    4.00  57.00 -90.00   50
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0369164000
_diffrn_orient_matrix_UB_12      -0.0086436000
_diffrn_orient_matrix_UB_13      -0.0275973000
_diffrn_orient_matrix_UB_21      -0.0506541000
_diffrn_orient_matrix_UB_22      -0.0776246000
_diffrn_orient_matrix_UB_23      0.0000832000
_diffrn_orient_matrix_UB_31      -0.0476143000
_diffrn_orient_matrix_UB_32      0.0106862000
_diffrn_orient_matrix_UB_33      -0.0215147000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0376
_diffrn_reflns_av_unetI/netI     0.0271
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            13094
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.679
_diffrn_reflns_theta_min         2.262
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.723
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.77399
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.73a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_description       block
_exptl_crystal_F_000             954
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.261
_refine_diff_density_min         -0.190
_refine_diff_density_rms         0.045
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.15(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     419
_refine_ls_number_reflns         2399
_refine_ls_number_restraints     1836
_refine_ls_restrained_S_all      0.773
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0278P)²+0.6445P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0514
_refine_ls_wR_factor_ref         0.0520
_reflns_Friedel_coverage         0.700
_reflns_Friedel_fraction_full    0.984
_reflns_Friedel_fraction_max     0.985
_reflns_number_gt                2311
_reflns_number_total             2399
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc02322j2.cif
_cod_data_source_block           alk_fc_auto
_cod_depositor_comments
'Adding full bibliography for 1575546--1575548.cif.'
_cod_original_cell_volume        1898.00(9)
_cod_database_code               1575548
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.874
_shelx_estimated_absorpt_t_min   0.820
_diffrn_oxdiff_digest_hkl
;
0166d319df20ba2f526d6a56012e4118f103a6
;
_olex2_refinement_description
;
1. Twinned data refinement
 Scales: 0.85(3)
 0.15(3)
2. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
3. Uiso/Uaniso restraints and constraints
: within 2A with sigma of 0.04 and sigma for terminal atoms of 0.08 within 2A
All non-hydrogen atoms have similar U: within 1A with sigma of 0.04 and sigma
for terminal atoms of 0.08 within 1A
All non-hydrogen atoms have similar U: within 3A with sigma of 0.01 and sigma
for terminal atoms of 0.02 within 3A
Uanis(C1_1) \\sim Ueq, Uanis(C2_1) \\sim Ueq, Uanis(C3_1) \\sim Ueq,
Uanis(C4_1) \\sim Ueq, Uanis(C5_1) \\sim Ueq, Uanis(C6_1) \\sim Ueq,
Uanis(C7_1) \\sim Ueq, Uanis(C8_1) \\sim Ueq, Uanis(C9_1) \\sim Ueq,
Uanis(C10_1) \\sim Ueq, Uanis(C11_1) \\sim Ueq, Uanis(C12_1) \\sim Ueq,
Uanis(C13_1) \\sim Ueq, Uanis(C14_1) \\sim Ueq, Uanis(C15_1) \\sim Ueq,
Uanis(C16_1) \\sim Ueq, Uanis(C17_1) \\sim Ueq, Uanis(C18_1) \\sim Ueq,
Uanis(C19_1) \\sim Ueq, Uanis(C20_1) \\sim Ueq, Uanis(C21_1) \\sim Ueq,
Uanis(C22_1) \\sim Ueq, Uanis(C23_1) \\sim Ueq, Uanis(C24_1) \\sim Ueq,
Uanis(C25_1) \\sim Ueq, Uanis(C26_1) \\sim Ueq, Uanis(C27_1) \\sim Ueq,
Uanis(C28_1) \\sim Ueq, Uanis(C29_1) \\sim Ueq, Uanis(C30_1) \\sim Ueq,
Uanis(C31_1) \\sim Ueq, Uanis(C32_1) \\sim Ueq, Uanis(C33_1) \\sim Ueq,
Uanis(C34_1) \\sim Ueq, Uanis(C35_1) \\sim Ueq, Uanis(C36_1) \\sim Ueq,
Uanis(Fe1_1) \\sim Ueq, Uanis(Fe2_1) \\sim Ueq, Uanis(Fe3_1) \\sim Ueq: with
sigma of 0.002 and sigma for terminal atoms of 0.004
4. Rigid body (RIGU) restrains
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Same fragment restrains
6. Others
 Sof(C1)=Sof(C2)=Sof(H2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=
 Sof(C6)=Sof(C7)=Sof(C8)=Sof(C9)=Sof(H9)=Sof(C10)=Sof(H10)=Sof(C11)=Sof(H11)=
 Sof(C12)=Sof(H12)=Sof(C13)=Sof(C14)=Sof(H14)=Sof(C15)=Sof(H15)=Sof(C16)=
 Sof(H16)=Sof(C17)=Sof(H17)=Sof(C18)=Sof(C19)=Sof(C20)=Sof(C21)=Sof(H21)=
 Sof(C22)=Sof(H22)=Sof(C23)=Sof(H23)=Sof(C24)=Sof(H24)=Sof(C25)=Sof(C26)=
 Sof(H26)=Sof(C27)=Sof(H27)=Sof(C28)=Sof(H28)=Sof(C29)=Sof(H29)=Sof(C30)=
 Sof(C31)=Sof(C32)=Sof(C33)=Sof(H33)=Sof(C34)=Sof(H34)=Sof(C35)=Sof(H35)=
 Sof(C36)=Sof(H36)=Sof(Fe1)=Sof(Fe2)=Sof(Fe3)=0.5*(1-FVAR(2))
 Sof(Fe1)=0.5*FVAR(2)
 Sof(Fe2)=Sof(C1)=Sof(C2)=Sof(C3)=Sof(H3)=Sof(C4)=Sof(H4)=Sof(C5)=Sof(H5)=
 Sof(C6)=Sof(H6)=Sof(C7)=Sof(H7)=Sof(C8)=Sof(H8)=Sof(C9)=Sof(H9)=Sof(C10)=
 Sof(H10)=Sof(C11)=Sof(C12)=Sof(C13)=Sof(C14)=Sof(C15)=Sof(H15)=Sof(C16)=
 Sof(H16)=Sof(C17)=Sof(H17)=Sof(C18)=Sof(H18)=FVAR(1)
7.a Free rotating group:
 C1(C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,C13,C14,C15,C16,C17,C18,C19,C20,C21,
 C22,C23,C24,C25,C26,C27,C28,C29,C30,C31,C32,C33,C34,C35,C36,Fe1,Fe2,Fe3)
7.b Ternary CH refined with riding coordinates:
 C9(H9), C10(H10), C11(H11), C12(H12)
7.c Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C15(H15),
 C16(H16), C17(H17), C18(H18), C2(H2), C3(H3), C4(H4), C5(H5), C14(H14),
 C15(H15), C16(H16), C17(H17), C21(H21), C22(H22), C23(H23), C24(H24), C26(H26),
  C27(H27), C28(H28), C29(H29), C33(H33), C34(H34), C35(H35), C36(H36)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.595
_oxdiff_exptl_absorpt_empirical_full_min 0.691
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z+2/3'
'y, x, -z'
'x-y, -y, -z+2/3'
'-x, -x+y, -z+1/3'
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 1.000000 0.9669(2) 0.666667 0.0178(3) Uani 0.951(2) 2 d S TU P . .
Fe2 Fe 0.62628(13) 0.24802(11) 0.60406(5) 0.0185(2) Uani 0.951(2) 1 d . U P A 1
C1 C 0.9337(4) 0.3721(4) 0.66947(17) 0.0263(7) Uani 0.951(2) 1 d . U P A 1
C2 C 0.7756(4) 0.2906(4) 0.67769(16) 0.0229(7) Uani 0.951(2) 1 d . U P A 1
C3 C 0.6838(4) 0.3528(4) 0.69304(14) 0.0261(7) Uani 0.951(2) 1 d . U P A 1
H3 H 0.716694 0.454948 0.700266 0.031 Uiso 0.951(2) 1 calc R U P A 1
C4 C 0.5345(4) 0.2343(5) 0.69553(15) 0.0314(9) Uani 0.951(2) 1 d . U P A 1
H4 H 0.450168 0.243642 0.705327 0.038 Uiso 0.951(2) 1 calc R U P A 1
C5 C 0.5322(4) 0.1010(4) 0.68112(18) 0.0315(9) Uani 0.951(2) 1 d . U P A 1
H5 H 0.446255 0.005169 0.679258 0.038 Uiso 0.951(2) 1 calc R U P A 1
C6 C 0.6809(4) 0.1342(4) 0.66976(17) 0.0286(8) Uani 0.951(2) 1 d . U P A 1
H6 H 0.711536 0.064732 0.658863 0.034 Uiso 0.951(2) 1 calc R U P A 1
C7 C 0.5380(4) 0.3267(4) 0.53526(15) 0.0217(7) Uani 0.951(2) 1 d . U P A 1
H7 H 0.471412 0.362371 0.543803 0.026 Uiso 0.951(2) 1 calc R U P A 1
C8 C 0.4972(4) 0.1781(4) 0.51964(16) 0.0236(7) Uani 0.951(2) 1 d . U P A 1
H8 H 0.398597 0.097181 0.515638 0.028 Uiso 0.951(2) 1 calc R U P A 1
C9 C 0.6289(4) 0.1708(4) 0.51104(16) 0.0252(8) Uani 0.951(2) 1 d . U P A 1
H9 H 0.633670 0.084235 0.500470 0.030 Uiso 0.951(2) 1 calc R U P A 1
C10 C 0.7525(4) 0.3154(4) 0.52095(15) 0.0240(7) Uani 0.951(2) 1 d . U P A 1
H10 H 0.854171 0.342264 0.518167 0.029 Uiso 0.951(2) 1 calc R U P A 1
C11 C 0.6968(4) 0.4138(4) 0.53592(15) 0.0213(7) Uani 0.951(2) 1 d . U P A 1
C12 C 0.7844(4) 0.5681(4) 0.55175(15) 0.0236(7) Uani 0.951(2) 1 d . U P A 1
C13 C 0.8586(4) 0.6964(4) 0.56638(15) 0.0232(7) Uani 0.951(2) 1 d . U P A 1
C14 C 0.9506(4) 0.8513(4) 0.57907(15) 0.0201(7) Uani 0.951(2) 1 d . U P A 1
C15 C 0.9076(4) 0.9622(4) 0.57700(14) 0.0213(7) Uani 0.951(2) 1 d . U P A 1
H15 H 0.809594 0.944223 0.570047 0.026 Uiso 0.951(2) 1 calc R U P A 1
C16 C 1.0348(4) 1.1027(4) 0.58698(14) 0.0222(8) Uani 0.951(2) 1 d . U P A 1
H16 H 1.037561 1.195444 0.587429 0.027 Uiso 0.951(2) 1 calc R U P A 1
C17 C 1.1584(4) 1.0806(4) 0.59629(15) 0.0239(7) Uani 0.951(2) 1 d . U P A 1
H17 H 1.257947 1.156235 0.604332 0.029 Uiso 0.951(2) 1 calc R U P A 1
C18 C 1.1074(4) 0.9273(4) 0.59151(14) 0.0206(7) Uani 0.951(2) 1 d . U P A 1
H18 H 1.166839 0.881957 0.595803 0.025 Uiso 0.951(2) 1 calc R U P A 1
C1_1 C 0.552(2) 0.294(2) 0.5357(8) 0.022(3) Uani 0.0247(11) 1 d G U P A -1
C2_1 C 0.643(2) 0.453(2) 0.5349(10) 0.022(3) Uani 0.0247(11) 1 d G U P A -1
H2_1 H 0.611446 0.522474 0.544826 0.027 Uiso 0.0247(11) 1 calc R U P A -1
C3_1 C 0.791(2) 0.487(2) 0.5162(9) 0.022(3) Uani 0.0247(11) 1 d G U P A -1
H3_1 H 0.874650 0.583924 0.511648 0.027 Uiso 0.0247(11) 1 calc R U P A -1
C4_1 C 0.788(2) 0.349(3) 0.5056(8) 0.022(3) Uani 0.0247(11) 1 d G U P A -1
H4_1 H 0.870325 0.339569 0.492489 0.026 Uiso 0.0247(11) 1 calc R U P A -1
C5_1 C 0.643(2) 0.231(2) 0.5179(7) 0.022(3) Uani 0.0247(11) 1 d G U P A -1
H5_1 H 0.611117 0.128159 0.515017 0.027 Uiso 0.0247(11) 1 calc R U P A -1
C6_1 C 0.399(2) 0.209(3) 0.5525(10) 0.022(3) Uani 0.0247(11) 1 d G U P A -1
C7_1 C 0.2705(19) 0.129(3) 0.5657(13) 0.020(4) Uani 0.0247(11) 1 d G U P A -1
C8_1 C 0.1177(18) 0.024(3) 0.5788(16) 0.018(5) Uani 0.0247(11) 1 d G U P A -1
C9_1 C 0.060(2) -0.131(3) 0.5926(17) 0.018(6) Uani 0.0247(11) 1 d G U P A -1
H9_1 H 0.120325 -0.180779 0.598242 0.022 Uiso 0.0247(11) 1 calc R U P A -1
C10_1 C -0.097(2) -0.201(4) 0.598(2) 0.017(6) Uani 0.0247(11) 1 d G U P A -1
H10_1 H -0.166746 -0.308341 0.606941 0.021 Uiso 0.0247(11) 1 calc R U P A -1
C11_1 C -0.1388(18) -0.090(5) 0.586(2) 0.018(6) Uani 0.0247(11) 1 d G U P A -1
H11_1 H -0.242251 -0.106859 0.587073 0.021 Uiso 0.0247(11) 1 calc R U P A -1
C12_1 C -0.0056(19) 0.050(4) 0.575(2) 0.017(6) Uani 0.0247(11) 1 d G U P A -1
H12_1 H 0.000141 0.147489 0.566794 0.021 Uiso 0.0247(11) 1 calc R U P A -1
C13_1 C 0.071(3) -0.076(4) 0.7551(17) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
C14_1 C 0.147(3) 0.081(4) 0.7406(16) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
H14_1 H 0.251155 0.143861 0.736275 0.019 Uiso 0.0247(11) 1 calc R U P A -1
C15_1 C 0.039(3) 0.126(4) 0.734(2) 0.017(7) Uani 0.0247(11) 1 d G U P A -1
H15_1 H 0.059066 0.223935 0.724746 0.020 Uiso 0.0247(11) 1 calc R U P A -1
C16_1 C -0.105(3) -0.002(5) 0.744(2) 0.015(7) Uani 0.0247(11) 1 d G U P A -1
H16_1 H -0.197104 -0.003066 0.742043 0.018 Uiso 0.0247(11) 1 calc R U P A -1
C17_1 C -0.086(3) -0.126(4) 0.756(2) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
H17_1 H -0.162973 -0.225014 0.764279 0.019 Uiso 0.0247(11) 1 calc R U P A -1
C18_1 C 0.141(3) -0.162(3) 0.7669(15) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
C19_1 C 0.200(3) -0.233(3) 0.7796(15) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
C20_1 C 0.272(4) -0.315(3) 0.7960(16) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
C21_1 C 0.208(5) -0.473(3) 0.797(2) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
H21_1 H 0.107360 -0.543772 0.788071 0.019 Uiso 0.0247(11) 1 calc R U P A -1
C22_1 C 0.321(5) -0.507(4) 0.815(2) 0.017(7) Uani 0.0247(11) 1 d G U P A -1
H22_1 H 0.309013 -0.603254 0.820177 0.020 Uiso 0.0247(11) 1 calc R U P A -1
C23_1 C 0.457(5) -0.368(4) 0.824(2) 0.015(7) Uani 0.0247(11) 1 d G U P A -1
H23_1 H 0.550923 -0.356625 0.835045 0.018 Uiso 0.0247(11) 1 calc R U P A -1
C24_1 C 0.426(4) -0.251(3) 0.8123(16) 0.016(6) Uani 0.0247(11) 1 d G U P A -1
H24_1 H 0.496063 -0.147403 0.815067 0.019 Uiso 0.0247(11) 1 calc R U P A -1
C25_1 C 0.486(4) -0.235(2) 0.6552(16) 0.020(5) Uani 0.0247(11) 1 d G U P A -1
C26_1 C 0.550(4) -0.327(3) 0.667(2) 0.020(5) Uani 0.0247(11) 1 d G U P A -1
H26_1 H 0.650666 -0.294358 0.678161 0.024 Uiso 0.0247(11) 1 calc R U P A -1
C27_1 C 0.434(5) -0.480(2) 0.657(2) 0.019(6) Uani 0.0247(11) 1 d G U P A -1
H27_1 H 0.444639 -0.565009 0.661995 0.022 Uiso 0.0247(11) 1 calc R U P A -1
C28_1 C 0.300(4) -0.480(2) 0.640(2) 0.019(6) Uani 0.0247(11) 1 d G U P A -1
H28_1 H 0.206223 -0.564957 0.631647 0.023 Uiso 0.0247(11) 1 calc R U P A -1
C29_1 C 0.331(4) -0.329(2) 0.6384(17) 0.020(6) Uani 0.0247(11) 1 d G U P A -1
H29_1 H 0.262933 -0.296540 0.628021 0.024 Uiso 0.0247(11) 1 calc R U P A -1
C30_1 C 0.561(3) -0.076(2) 0.6608(12) 0.024(4) Uani 0.0247(11) 1 d G U P A -1
C31_1 C 0.621(2) 0.056(2) 0.6669(10) 0.025(3) Uani 0.0247(11) 1 d G U P A -1
C32_1 C 0.694(2) 0.213(2) 0.6734(8) 0.025(3) Uani 0.0247(11) 1 d G U P A -1
C33_1 C 0.850(2) 0.316(3) 0.6641(10) 0.024(3) Uani 0.0247(11) 1 d G U P A -1
H33_1 H 0.923655 0.291154 0.652612 0.029 Uiso 0.0247(11) 1 calc R U P A -1
C34_1 C 0.874(2) 0.463(2) 0.6755(10) 0.025(3) Uani 0.0247(11) 1 d G U P A -1
H34_1 H 0.966687 0.552590 0.671879 0.030 Uiso 0.0247(11) 1 calc R U P A -1
C35_1 C 0.735(2) 0.450(2) 0.6931(9) 0.025(3) Uani 0.0247(11) 1 d G U P A -1
H35_1 H 0.719793 0.529678 0.704531 0.030 Uiso 0.0247(11) 1 calc R U P A -1
C36_1 C 0.625(2) 0.299(2) 0.6908(7) 0.025(3) Uani 0.0247(11) 1 d G U P A -1
H36_1 H 0.521925 0.259602 0.699303 0.030 Uiso 0.0247(11) 1 calc R U P A -1
Fe1_1 Fe 0.001(2) -0.035(4) 0.6663(19) 0.016(5) Uani 0.0247(11) 1 d G U P A -1
Fe2_1 Fe 0.378(4) -0.379(3) 0.7297(19) 0.016(5) Uani 0.0247(11) 1 d G U P A -1
Fe3_1 Fe 0.7232(18) 0.360(2) 0.6006(7) 0.023(2) Uani 0.0247(11) 1 d G U P A -1
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 Fe1 C14 125.4(2) 6_766 . ?
C15 Fe1 C14 161.95(16) 6_766 . ?
C15 Fe1 C14 161.95(17) . 6_766 ?
C15 Fe1 C14 40.77(15) 6_766 6_766 ?
C15 Fe1 C14 40.76(15) . . ?
C15 Fe1 C15 155.6(2) 6_766 . ?
C15 Fe1 C16 40.25(14) 6_766 6_766 ?
C15 Fe1 C16 120.70(15) 6_766 . ?
C15 Fe1 C16 40.25(14) . . ?
C15 Fe1 C16 120.70(15) . 6_766 ?
C15 Fe1 C17 68.09(14) 6_766 6_766 ?
C15 Fe1 C17 68.09(14) . . ?
C15 Fe1 C17 107.41(14) 6_766 . ?
C15 Fe1 C17 107.41(14) . 6_766 ?
C15 Fe1 C18 124.69(15) . 6_766 ?
C15 Fe1 C18 68.32(14) . . ?
C15 Fe1 C18 68.32(14) 6_766 6_766 ?
C15 Fe1 C18 124.69(15) 6_766 . ?
C16 Fe1 C14 156.85(15) . 6_766 ?
C16 Fe1 C14 156.85(14) 6_766 . ?
C16 Fe1 C14 68.27(13) 6_766 6_766 ?
C16 Fe1 C14 68.27(13) . . ?
C16 Fe1 C16 106.4(2) . 6_766 ?
C17 Fe1 C14 122.04(15) . 6_766 ?
C17 Fe1 C14 68.28(14) . . ?
C17 Fe1 C14 122.04(15) 6_766 . ?
C17 Fe1 C14 68.29(14) 6_766 6_766 ?
C17 Fe1 C16 40.67(16) 6_766 6_766 ?
C17 Fe1 C16 123.28(17) . 6_766 ?
C17 Fe1 C16 40.67(16) . . ?
C17 Fe1 C16 123.27(17) 6_766 . ?
C17 Fe1 C17 159.8(3) 6_766 . ?
C17 Fe1 C18 158.33(18) 6_766 . ?
C17 Fe1 C18 40.22(14) . . ?
C17 Fe1 C18 40.22(14) 6_766 6_766 ?
C17 Fe1 C18 158.33(18) . 6_766 ?
C18 Fe1 C14 40.85(14) . . ?
C18 Fe1 C14 108.80(14) . 6_766 ?
C18 Fe1 C14 40.85(14) 6_766 6_766 ?
C18 Fe1 C14 108.80(15) 6_766 . ?
C18 Fe1 C16 160.07(15) . 6_766 ?
C18 Fe1 C16 68.09(14) . . ?
C18 Fe1 C16 160.07(15) 6_766 . ?
C18 Fe1 C16 68.09(14) 6_766 6_766 ?
C18 Fe1 C18 123.5(2) . 6_766 ?
C2 Fe2 C3 41.08(14) . . ?
C2 Fe2 C6 40.98(14) . . ?
C2 Fe2 C7 148.88(15) . . ?
C2 Fe2 C9 126.87(16) . . ?
C2 Fe2 C11 113.59(15) . . ?
C3 Fe2 C6 68.86(16) . . ?
C3 Fe2 C7 117.34(16) . . ?
C3 Fe2 C9 164.60(15) . . ?
C3 Fe2 C11 105.25(14) . . ?
C6 Fe2 C7 169.83(16) . . ?
C6 Fe2 C9 108.11(16) . . ?
C7 Fe2 C9 68.15(15) . . ?
C10 Fe2 C2 104.02(15) . . ?
C10 Fe2 C3 125.72(15) . . ?
C10 Fe2 C6 114.96(17) . . ?
C10 Fe2 C7 68.87(15) . . ?
C10 Fe2 C9 40.66(14) . . ?
C10 Fe2 C11 41.36(15) . . ?
C11 Fe2 C6 147.75(16) . . ?
C11 Fe2 C7 41.00(15) . . ?
C11 Fe2 C9 68.82(14) . . ?
C1_1 Fe2 C2 154.9(7) . . ?
C1_1 Fe2 C3 127.0(7) . . ?
C1_1 Fe2 C6 162.9(7) . . ?
C1_1 Fe2 C7 9.7(7) . . ?
C1_1 Fe2 C9 58.5(7) . . ?
C1_1 Fe2 C10 63.2(7) . . ?
C1_1 Fe2 C11 42.2(7) . . ?
C1_1 Fe2 C5_1 48.0(4) . . ?
C1_1 Fe2 C36_1 127.4(9) . . ?
C5_1 Fe2 C2 129.9(7) . . ?
C5_1 Fe2 C3 155.4(7) . . ?
C5_1 Fe2 C6 121.1(7) . . ?
C5_1 Fe2 C7 57.0(7) . . ?
C5_1 Fe2 C9 15.4(7) . . ?
C5_1 Fe2 C10 30.6(7) . . ?
C5_1 Fe2 C11 53.5(7) . . ?
C5_1 Fe2 C36_1 170.6(11) . . ?
C32_1 Fe2 C2 23.5(7) . . ?
C32_1 Fe2 C3 48.3(7) . . ?
C32_1 Fe2 C6 21.1(7) . . ?
C32_1 Fe2 C7 165.5(7) . . ?
C32_1 Fe2 C9 126.3(7) . . ?
C32_1 Fe2 C10 119.8(6) . . ?
C32_1 Fe2 C11 137.1(7) . . ?
C32_1 Fe2 C1_1 175.2(11) . . ?
C32_1 Fe2 C5_1 136.6(10) . . ?
C32_1 Fe2 C36_1 47.9(4) . . ?
C36_1 Fe2 C2 49.5(6) . . ?
C36_1 Fe2 C3 16.6(6) . . ?
C36_1 Fe2 C6 65.5(7) . . ?
C36_1 Fe2 C7 117.8(7) . . ?
C36_1 Fe2 C9 173.5(7) . . ?
C36_1 Fe2 C10 142.3(6) . . ?
C36_1 Fe2 C11 117.3(7) . . ?
Fe3_1 Fe2 C2 67.6(8) . . ?
Fe3_1 Fe2 C3 67.7(8) . . ?
Fe3_1 Fe2 C6 106.3(8) . . ?
Fe3_1 Fe2 C7 83.8(8) . . ?
Fe3_1 Fe2 C9 99.9(8) . . ?
Fe3_1 Fe2 C10 59.3(8) . . ?
Fe3_1 Fe2 C11 46.3(8) . . ?
Fe3_1 Fe2 C1_1 87.5(9) . . ?
Fe3_1 Fe2 C5_1 87.7(9) . . ?
Fe3_1 Fe2 C32_1 91.1(9) . . ?
Fe3_1 Fe2 C36_1 83.8(9) . . ?
C1 C1 C2 178.4(4) 6_766 . ?
C1 C1 C34_1 113.5(8) 6_766 . ?
C33_1 C1 C1 162.5(18) . 6_766 ?
C33_1 C1 C2 17.9(17) . . ?
C33_1 C1 C34_1 79.0(17) . . ?
C34_1 C1 C2 67.5(9) . . ?
C1 C2 Fe2 124.6(2) . . ?
C1 C2 C34_1 54.1(9) . . ?
C1 C2 C35_1 100.9(7) . . ?
C1 C2 C36_1 146.7(8) . . ?
C1 C2 Fe3_1 98.1(5) . . ?
C3 C2 Fe2 69.46(17) . . ?
C3 C2 C1 125.8(3) . . ?
C3 C2 C34_1 72.1(9) . . ?
C3 C2 C35_1 25.0(7) . . ?
C3 C2 C36_1 21.0(7) . . ?
C3 C2 Fe3_1 68.1(5) . . ?
C6 C2 Fe2 69.69(19) . . ?
C6 C2 C1 126.5(3) . . ?
C6 C2 C3 107.6(3) . . ?
C6 C2 C34_1 171.6(7) . . ?
C6 C2 C35_1 132.4(7) . . ?
C6 C2 C36_1 86.7(7) . . ?
C6 C2 Fe3_1 99.9(6) . . ?
C32_1 C2 Fe2 54.2(10) . . ?
C32_1 C2 C1 150.8(14) . . ?
C32_1 C2 C3 82.6(14) . . ?
C32_1 C2 C6 25.5(13) . . ?
C32_1 C2 C34_1 151.3(19) . . ?
C32_1 C2 C35_1 107.0(16) . . ?
C32_1 C2 C36_1 61.6(12) . . ?
C32_1 C2 Fe3_1 86.2(11) . . ?
C33_1 C2 Fe2 110.8(14) . . ?
C33_1 C2 C1 18.8(17) . . ?
C33_1 C2 C3 137.8(18) . . ?
C33_1 C2 C6 111.7(19) . . ?
C33_1 C2 C32_1 134(3) . . ?
C33_1 C2 C34_1 66.7(15) . . ?
C33_1 C2 C35_1 113(2) . . ?
C33_1 C2 C36_1 155(2) . . ?
C33_1 C2 Fe3_1 90.4(14) . . ?
C34_1 C2 Fe2 102.8(7) . . ?
C34_1 C2 C35_1 47.1(6) . . ?
C34_1 C2 C36_1 92.6(11) . . ?
C34_1 C2 Fe3_1 72.1(7) . . ?
C35_1 C2 Fe2 80.6(6) . . ?
C36_1 C2 Fe2 58.9(5) . . ?
C36_1 C2 C35_1 45.8(6) . . ?
C36_1 C2 Fe3_1 69.7(6) . . ?
Fe3_1 C2 Fe2 32.0(5) . . ?
Fe3_1 C2 C35_1 65.4(6) . . ?
Fe2 C3 H3 125.4 . . ?
C2 C3 Fe2 69.45(19) . . ?
C2 C3 H3 126.2 . . ?
C2 C3 C32_1 32.0(7) . . ?
C2 C3 C33_1 14.0(6) . . ?
C2 C3 C34_1 57.3(9) . . ?
C2 C3 Fe3_1 67.9(5) . . ?
C4 C3 Fe2 70.51(19) . . ?
C4 C3 C2 107.6(4) . . ?
C4 C3 H3 126.2 . . ?
C4 C3 C32_1 75.8(7) . . ?
C4 C3 C33_1 120.7(7) . . ?
C4 C3 C34_1 163.3(8) . . ?
C4 C3 Fe3_1 100.8(5) . . ?
C32_1 C3 Fe2 54.2(5) . . ?
C32_1 C3 H3 157.8 . . ?
C32_1 C3 C33_1 44.9(5) . . ?
C32_1 C3 C34_1 88.5(10) . . ?
C32_1 C3 Fe3_1 70.8(6) . . ?
C33_1 C3 Fe2 72.2(5) . . ?
C33_1 C3 H3 112.9 . . ?
C34_1 C3 Fe2 95.9(7) . . ?
C34_1 C3 H3 69.3 . . ?
C34_1 C3 C33_1 43.7(5) . . ?
C34_1 C3 Fe3_1 68.1(6) . . ?
C35_1 C3 Fe2 117.8(12) . . ?
C35_1 C3 C2 111.1(16) . . ?
C35_1 C3 H3 16.1 . . ?
C35_1 C3 C4 140.7(16) . . ?
C35_1 C3 C32_1 142(2) . . ?
C35_1 C3 C33_1 97.5(15) . . ?
C35_1 C3 C34_1 53.9(11) . . ?
C35_1 C3 Fe3_1 87.9(12) . . ?
C36_1 C3 Fe2 62.4(13) . . ?
C36_1 C3 C2 99(2) . . ?
C36_1 C3 H3 134.3 . . ?
C36_1 C3 C4 9.5(16) . . ?
C36_1 C3 C32_1 67.3(19) . . ?
C36_1 C3 C33_1 112(2) . . ?
C36_1 C3 C34_1 154(2) . . ?
C36_1 C3 C35_1 148(3) . . ?
C36_1 C3 Fe3_1 93.6(15) . . ?
Fe3_1 C3 Fe2 32.0(5) . . ?
Fe3_1 C3 H3 99.1 . . ?
Fe3_1 C3 C33_1 62.5(5) . . ?
Fe2 C4 H4 126.9 . . ?
C3 C4 Fe2 68.91(18) . . ?
C3 C4 H4 125.7 . . ?
C3 C4 C32_1 55.5(7) . . ?
C5 C4 Fe2 70.1(2) . . ?
C5 C4 C3 108.7(4) . . ?
C5 C4 H4 125.7 . . ?
C5 C4 C32_1 53.2(7) . . ?
C32_1 C4 Fe2 51.1(4) . . ?
C32_1 C4 H4 177.7 . . ?
C36_1 C4 Fe2 63.2(10) . . ?
C36_1 C4 C3 6.7(11) . . ?
C36_1 C4 H4 131.4 . . ?
C36_1 C4 C5 102.8(14) . . ?
C36_1 C4 C32_1 49.6(10) . . ?
Fe2 C5 H5 126.7 . . ?
C4 C5 Fe2 70.0(2) . . ?
C4 C5 H5 125.9 . . ?
C4 C5 C6 108.3(3) . . ?
C4 C5 C32_1 78.2(8) . . ?
C4 C5 C36_1 27.3(6) . . ?
C6 C5 Fe2 69.0(2) . . ?
C6 C5 H5 125.9 . . ?
C6 C5 C32_1 30.2(8) . . ?
C6 C5 C36_1 81.1(7) . . ?
C31_1 C5 Fe2 86.5(8) . . ?
C31_1 C5 C4 139.6(10) . . ?
C31_1 C5 H5 94.6 . . ?
C31_1 C5 C6 31.3(10) . . ?
C31_1 C5 C32_1 61.4(9) . . ?
C31_1 C5 C36_1 112.3(13) . . ?
C32_1 C5 Fe2 54.0(6) . . ?
C32_1 C5 H5 155.8 . . ?
C32_1 C5 C36_1 50.9(6) . . ?
C36_1 C5 Fe2 56.5(5) . . ?
C36_1 C5 H5 153.0 . . ?
Fe2 C6 H6 125.8 . . ?
C2 C6 Fe2 69.33(19) . . ?
C2 C6 H6 126.1 . . ?
C2 C6 C30_1 177.5(8) . . ?
C2 C6 C33_1 21.9(7) . . ?
C5 C6 Fe2 70.3(2) . . ?
C5 C6 C2 107.8(3) . . ?
C5 C6 H6 126.1 . . ?
C5 C6 C30_1 74.3(8) . . ?
C5 C6 C33_1 128.8(7) . . ?
C30_1 C6 Fe2 113.0(8) . . ?
C30_1 C6 H6 51.9 . . ?
C31_1 C6 Fe2 105.4(14) . . ?
C31_1 C6 C2 170.2(16) . . ?
C31_1 C6 C5 62.4(16) . . ?
C31_1 C6 H6 63.7 . . ?
C31_1 C6 C30_1 11.9(9) . . ?
C31_1 C6 C32_1 142(3) . . ?
C31_1 C6 C33_1 167(2) . . ?
C32_1 C6 Fe2 52.7(11) . . ?
C32_1 C6 C2 27.9(14) . . ?
C32_1 C6 C5 80.5(14) . . ?
C32_1 C6 H6 152.9 . . ?
C32_1 C6 C30_1 154(2) . . ?
C32_1 C6 C33_1 48.4(12) . . ?
C33_1 C6 Fe2 76.3(5) . . ?
C33_1 C6 H6 104.8 . . ?
C33_1 C6 C30_1 156.4(12) . . ?
Fe2 C7 H7 126.1 . . ?
Fe2 C7 Fe3_1 29.4(4) . . ?
C8 C7 Fe2 70.54(19) . . ?
C8 C7 H7 125.9 . . ?
C8 C7 C11 108.2(3) . . ?
C8 C7 C5_1 45.9(7) . . ?
C8 C7 Fe3_1 93.7(5) . . ?
C11 C7 Fe2 68.99(18) . . ?
C11 C7 H7 125.9 . . ?
C11 C7 C5_1 62.3(7) . . ?
C11 C7 Fe3_1 42.2(4) . . ?
C2_1 C7 Fe2 95.5(8) . . ?
C2_1 C7 H7 90.8 . . ?
C2_1 C7 C8 142.4(11) . . ?
C2_1 C7 C11 36.0(9) . . ?
C2_1 C7 C5_1 97.4(12) . . ?
C2_1 C7 C6_1 158(2) . . ?
C2_1 C7 Fe3_1 66.2(7) . . ?
C5_1 C7 Fe2 53.8(5) . . ?
C5_1 C7 H7 171.7 . . ?
C5_1 C7 Fe3_1 59.6(5) . . ?
C6_1 C7 Fe2 87.4(7) . . ?
C6_1 C7 H7 70.0 . . ?
C6_1 C7 C8 59.0(11) . . ?
C6_1 C7 C11 156.2(8) . . ?
C6_1 C7 C5_1 102.0(13) . . ?
C6_1 C7 Fe3_1 115.2(9) . . ?
Fe3_1 C7 H7 125.2 . . ?
Fe2 C8 H8 127.2 . . ?
C7 C8 Fe2 69.18(17) . . ?
C7 C8 H8 125.8 . . ?
C7 C8 C9 108.3(3) . . ?
C9 C8 Fe2 69.3(2) . . ?
C9 C8 H8 125.8 . . ?
C1_1 C8 Fe2 58.5(8) . . ?
C1_1 C8 C7 13.2(9) . . ?
C1_1 C8 H8 137.6 . . ?
C1_1 C8 C9 96.2(10) . . ?
C1_1 C8 C5_1 72.1(11) . . ?
C1_1 C8 C6_1 69.1(13) . . ?
C5_1 C8 Fe2 58.1(6) . . ?
C5_1 C8 C7 84.1(9) . . ?
C5_1 C8 H8 150.1 . . ?
C5_1 C8 C9 24.3(9) . . ?
C5_1 C8 C6_1 137.6(15) . . ?
C6_1 C8 Fe2 86.9(7) . . ?
C6_1 C8 C7 59.7(10) . . ?
C6_1 C8 H8 69.5 . . ?
C6_1 C8 C9 156.2(8) . . ?
Fe2 C9 H9 126.4 . . ?
Fe2 C9 Fe3_1 25.7(4) . . ?
C8 C9 Fe2 70.4(2) . . ?
C8 C9 H9 125.9 . . ?
C8 C9 C10 108.2(3) . . ?
C8 C9 C1_1 35.3(6) . . ?
C8 C9 C4_1 111.9(8) . . ?
C8 C9 Fe3_1 83.0(4) . . ?
C10 C9 Fe2 68.83(18) . . ?
C10 C9 H9 125.9 . . ?
C10 C9 C1_1 73.1(6) . . ?
C10 C9 C4_1 11.9(5) . . ?
C10 C9 Fe3_1 43.2(4) . . ?
C1_1 C9 Fe2 53.0(4) . . ?
C1_1 C9 H9 160.8 . . ?
C1_1 C9 Fe3_1 53.3(4) . . ?
C4_1 C9 Fe2 80.5(5) . . ?
C4_1 C9 H9 121.1 . . ?
C4_1 C9 C1_1 78.1(9) . . ?
C4_1 C9 Fe3_1 54.8(5) . . ?
C5_1 C9 Fe2 53.6(14) . . ?
C5_1 C9 C8 69(2) . . ?
C5_1 C9 H9 164.9 . . ?
C5_1 C9 C10 39(2) . . ?
C5_1 C9 C1_1 34.1(18) . . ?
C5_1 C9 C4_1 44.6(17) . . ?
C5_1 C9 Fe3_1 36.0(14) . . ?
Fe3_1 C9 H9 136.5 . . ?
Fe2 C10 H10 125.6 . . ?
C9 C10 Fe2 70.52(19) . . ?
C9 C10 H10 126.0 . . ?
C9 C10 C11 108.1(3) . . ?
C9 C10 C1_1 64.2(7) . . ?
C9 C10 C3_1 138.4(8) . . ?
C9 C10 Fe3_1 103.0(6) . . ?
C11 C10 Fe2 69.50(17) . . ?
C11 C10 H10 126.0 . . ?
C11 C10 C1_1 44.0(7) . . ?
C11 C10 C3_1 36.4(7) . . ?
C11 C10 Fe3_1 55.4(6) . . ?
C1_1 C10 Fe2 51.8(4) . . ?
C1_1 C10 H10 169.4 . . ?
C3_1 C10 Fe2 100.8(7) . . ?
C3_1 C10 H10 92.8 . . ?
C3_1 C10 C1_1 78.4(9) . . ?
C3_1 C10 Fe3_1 75.2(8) . . ?
C5_1 C10 Fe2 60.6(7) . . ?
C5_1 C10 C9 20.8(12) . . ?
C5_1 C10 H10 146.8 . . ?
C5_1 C10 C11 87.2(13) . . ?
C5_1 C10 C1_1 43.4(8) . . ?
C5_1 C10 C3_1 119.1(17) . . ?
C5_1 C10 Fe3_1 90.9(10) . . ?
Fe3_1 C10 Fe2 32.6(6) . . ?
Fe3_1 C10 H10 107.0 . . ?
Fe3_1 C10 C1_1 65.3(6) . . ?
C7 C11 Fe2 70.01(18) . . ?
C7 C11 C10 107.2(3) . . ?
C7 C11 C4_1 119.2(9) . . ?
C7 C11 C5_1 70.5(7) . . ?
C7 C11 Fe3_1 98.0(7) . . ?
C10 C11 Fe2 69.14(19) . . ?
C10 C11 C4_1 18.1(7) . . ?
C10 C11 C5_1 36.7(7) . . ?
C10 C11 Fe3_1 72.8(7) . . ?
C12 C11 Fe2 123.7(2) . . ?
C12 C11 C7 126.7(3) . . ?
C12 C11 C10 126.1(3) . . ?
C12 C11 C4_1 113.2(9) . . ?
C12 C11 C5_1 162.6(8) . . ?
C12 C11 Fe3_1 95.2(7) . . ?
C1_1 C11 Fe2 58.3(6) . . ?
C1_1 C11 C7 17.5(9) . . ?
C1_1 C11 C10 90.1(9) . . ?
C1_1 C11 C12 143.2(10) . . ?
C1_1 C11 C4_1 103.6(13) . . ?
C1_1 C11 C5_1 53.6(7) . . ?
C1_1 C11 Fe3_1 89.2(9) . . ?
C2_1 C11 Fe2 112.3(13) . . ?
C2_1 C11 C7 57.9(15) . . ?
C2_1 C11 C10 160.3(16) . . ?
C2_1 C11 C12 70.6(16) . . ?
C2_1 C11 C1_1 75.5(14) . . ?
C2_1 C11 C3_1 104.9(18) . . ?
C2_1 C11 C4_1 155.0(17) . . ?
C2_1 C11 C5_1 126.7(19) . . ?
C2_1 C11 Fe3_1 119.4(17) . . ?
C3_1 C11 Fe2 137.5(12) . . ?
C3_1 C11 C7 151.3(12) . . ?
C3_1 C11 C10 82.6(14) . . ?
C3_1 C11 C12 52.1(14) . . ?
C3_1 C11 C1_1 155.4(18) . . ?
C3_1 C11 C4_1 65.4(11) . . ?
C3_1 C11 C5_1 115.0(16) . . ?
C3_1 C11 Fe3_1 110.7(15) . . ?
C4_1 C11 Fe2 86.7(7) . . ?
C4_1 C11 C5_1 50.8(7) . . ?
C5_1 C11 Fe2 55.4(5) . . ?
Fe3_1 C11 Fe2 31.7(7) . . ?
Fe3_1 C11 C4_1 85.3(9) . . ?
Fe3_1 C11 C5_1 78.0(8) . . ?
C11 C12 Fe3_1 43.8(5) . . ?
C13 C12 C11 178.5(4) . . ?
C13 C12 C2_1 146.1(9) . . ?
C13 C12 Fe3_1 134.7(5) . . ?
C2_1 C12 C11 34.7(8) . . ?
C2_1 C12 Fe3_1 66.4(7) . . ?
C3_1 C12 C11 42.8(10) . . ?
C3_1 C12 C13 137.7(10) . . ?
C3_1 C12 C2_1 68.7(12) . . ?
C3_1 C12 Fe3_1 69.4(9) . . ?
C12 C13 C14 175.9(3) . . ?
C13 C14 Fe1 130.2(2) . . ?
C13 C14 C15 127.0(3) . . ?
C13 C14 C18 126.1(3) . . ?
C15 C14 Fe1 69.06(17) . . ?
C15 C14 C18 106.8(3) . . ?
C18 C14 Fe1 69.14(17) . . ?
Fe1 C15 H15 125.5 . . ?
C14 C15 Fe1 70.18(19) . . ?
C14 C15 H15 125.6 . . ?
C16 C15 Fe1 70.25(19) . . ?
C16 C15 C14 108.8(3) . . ?
C16 C15 H15 125.6 . . ?
Fe1 C16 H16 126.5 . . ?
C15 C16 Fe1 69.51(19) . . ?
C15 C16 H16 126.1 . . ?
C15 C16 C17 107.8(3) . . ?
C17 C16 Fe1 69.42(19) . . ?
C17 C16 H16 126.1 . . ?
Fe1 C17 H17 125.9 . . ?
C16 C17 Fe1 69.90(18) . . ?
C16 C17 H17 125.9 . . ?
C18 C17 Fe1 69.89(19) . . ?
C18 C17 C16 108.3(3) . . ?
C18 C17 H17 125.9 . . ?
Fe1 C18 H18 125.9 . . ?
C14 C18 Fe1 70.01(18) . . ?
C14 C18 H18 125.8 . . ?
C17 C18 Fe1 69.89(19) . . ?
C17 C18 C14 108.4(3) . . ?
C17 C18 H18 125.8 . . ?
Fe2 C1_1 C9 68.5(7) . . ?
Fe2 C1_1 C10 65.0(6) . . ?
Fe2 C1_1 Fe3_1 32.5(6) . . ?
C8 C1_1 Fe2 89.6(11) . . ?
C8 C1_1 C9 48.5(9) . . ?
C8 C1_1 C10 91.0(13) . . ?
C8 C1_1 C11 136.2(18) . . ?
C8 C1_1 C2_1 161.0(10) . . ?
C8 C1_1 C5_1 61.5(12) . . ?
C8 C1_1 C6_1 65.1(12) . . ?
C8 C1_1 Fe3_1 116.7(10) . . ?
C9 C1_1 C10 42.7(5) . . ?
C9 C1_1 Fe3_1 78.7(6) . . ?
C10 C1_1 Fe3_1 51.3(5) . . ?
C11 C1_1 Fe2 79.5(8) . . ?
C11 C1_1 C9 88.5(10) . . ?
C11 C1_1 C10 45.9(6) . . ?
C11 C1_1 C2_1 34.7(8) . . ?
C11 C1_1 C5_1 75.4(9) . . ?
C11 C1_1 C6_1 158.1(9) . . ?
C11 C1_1 Fe3_1 47.7(6) . . ?
C2_1 C1_1 Fe2 101.4(6) . . ?
C2_1 C1_1 C9 121.5(7) . . ?
C2_1 C1_1 C10 79.9(6) . . ?
C2_1 C1_1 C5_1 108.7 . . ?
C2_1 C1_1 Fe3_1 70.2 . . ?
C5_1 C1_1 Fe2 66.3(5) . . ?
C5_1 C1_1 C9 13.1(7) . . ?
C5_1 C1_1 C10 29.6(6) . . ?
C5_1 C1_1 Fe3_1 69.7 . . ?
C6_1 C1_1 Fe2 98.5(5) . . ?
C6_1 C1_1 C9 111.2(7) . . ?
C6_1 C1_1 C10 151.9(6) . . ?
C6_1 C1_1 C2_1 127.2 . . ?
C6_1 C1_1 C5_1 124.1 . . ?
C6_1 C1_1 Fe3_1 124.9 . . ?
Fe2 C2_1 H2_1 129.0 . . ?
C7 C2_1 Fe2 55.3(6) . . ?
C7 C2_1 C12 156.0(14) . . ?
C7 C2_1 C1_1 16.2(9) . . ?
C7 C2_1 H2_1 110.9 . . ?
C7 C2_1 C3_1 122.4(10) . . ?
C7 C2_1 Fe3_1 81.0(7) . . ?
C11 C2_1 Fe2 49.4(10) . . ?
C11 C2_1 C7 86.1(17) . . ?
C11 C2_1 C12 74.7(15) . . ?
C11 C2_1 C1_1 69.8(13) . . ?
C11 C2_1 H2_1 157.9 . . ?
C11 C2_1 C3_1 40.7(12) . . ?
C11 C2_1 Fe3_1 39.6(11) . . ?
C12 C2_1 Fe2 100.8(9) . . ?
C12 C2_1 C1_1 141.8(8) . . ?
C12 C2_1 H2_1 85.0 . . ?
C12 C2_1 C3_1 47.0(10) . . ?
C12 C2_1 Fe3_1 75.1(8) . . ?
C1_1 C2_1 Fe2 44.1(4) . . ?
C1_1 C2_1 H2_1 126.5 . . ?
C1_1 C2_1 C3_1 107.0 . . ?
C1_1 C2_1 Fe3_1 68.7 . . ?
C3_1 C2_1 Fe2 88.2(3) . . ?
C3_1 C2_1 H2_1 126.5 . . ?
C3_1 C2_1 Fe3_1 69.7 . . ?
Fe3_1 C2_1 Fe2 25.8(4) . . ?
Fe3_1 C2_1 H2_1 126.6 . . ?
C10 C3_1 H3_1 139.1 . . ?
C10 C3_1 Fe3_1 55.0(5) . . ?
C11 C3_1 C10 61.1(11) . . ?
C11 C3_1 C12 85.1(16) . . ?
C11 C3_1 C2_1 34.4(12) . . ?
C11 C3_1 H3_1 154.1 . . ?
C11 C3_1 C4_1 76.5(12) . . ?
C11 C3_1 Fe3_1 43.1(10) . . ?
C12 C3_1 C10 134.6(13) . . ?
C12 C3_1 C2_1 64.4(11) . . ?
C12 C3_1 H3_1 69.0 . . ?
C12 C3_1 C4_1 148.8(9) . . ?
C12 C3_1 Fe3_1 79.7(9) . . ?
C2_1 C3_1 C10 93.9(7) . . ?
C2_1 C3_1 H3_1 126.1 . . ?
C2_1 C3_1 Fe3_1 69.2 . . ?
C4_1 C3_1 C10 16.4(5) . . ?
C4_1 C3_1 C2_1 107.8 . . ?
C4_1 C3_1 H3_1 126.1 . . ?
C4_1 C3_1 Fe3_1 69.6 . . ?
Fe3_1 C3_1 H3_1 126.7 . . ?
Fe2 C4_1 H4_1 129.4 . . ?
C9 C4_1 Fe2 54.8(4) . . ?
C9 C4_1 H4_1 108.9 . . ?
C9 C4_1 Fe3_1 80.7(5) . . ?
C11 C4_1 Fe2 55.1(5) . . ?
C11 C4_1 C9 88.6(9) . . ?
C11 C4_1 H4_1 161.0 . . ?
C11 C4_1 Fe3_1 46.7(6) . . ?
C3_1 C4_1 Fe2 88.6(4) . . ?
C3_1 C4_1 C9 125.5(7) . . ?
C3_1 C4_1 C11 38.1(7) . . ?
C3_1 C4_1 H4_1 125.6 . . ?
C3_1 C4_1 Fe3_1 69.7 . . ?
C5_1 C4_1 Fe2 44.4(4) . . ?
C5_1 C4_1 C9 16.9(7) . . ?
C5_1 C4_1 C11 71.8(7) . . ?
C5_1 C4_1 C3_1 108.9 . . ?
C5_1 C4_1 H4_1 125.6 . . ?
C5_1 C4_1 Fe3_1 69.3 . . ?
Fe3_1 C4_1 Fe2 25.9(4) . . ?
Fe3_1 C4_1 H4_1 127.1 . . ?
Fe2 C5_1 C7 69.2(6) . . ?
Fe2 C5_1 H5_1 100.2 . . ?
Fe2 C5_1 Fe3_1 32.3(6) . . ?
C7 C5_1 H5_1 130.7 . . ?
C7 C5_1 Fe3_1 69.4(6) . . ?
C8 C5_1 Fe2 82.4(8) . . ?
C8 C5_1 C7 50.0(7) . . ?
C8 C5_1 C11 97.2(12) . . ?
C8 C5_1 C1_1 46.4(10) . . ?
C8 C5_1 C4_1 149.8(10) . . ?
C8 C5_1 H5_1 81.5 . . ?
C8 C5_1 Fe3_1 104.9(8) . . ?
C9 C5_1 Fe2 111.0(19) . . ?
C9 C5_1 C7 137(3) . . ?
C9 C5_1 C8 87(2) . . ?
C9 C5_1 C10 120(3) . . ?
C9 C5_1 C11 176(3) . . ?
C9 C5_1 C1_1 133(2) . . ?
C9 C5_1 C4_1 119(2) . . ?
C9 C5_1 H5_1 11.3 . . ?
C9 C5_1 Fe3_1 134.3(19) . . ?
C10 C5_1 Fe2 88.8(10) . . ?
C10 C5_1 C7 103.3(15) . . ?
C10 C5_1 C8 153(2) . . ?
C10 C5_1 C11 56.1(10) . . ?
C10 C5_1 C1_1 107.1(12) . . ?
C10 C5_1 C4_1 13.9(9) . . ?
C10 C5_1 H5_1 125.0 . . ?
C10 C5_1 Fe3_1 58.8(9) . . ?
C11 C5_1 Fe2 71.2(7) . . ?
C11 C5_1 C7 47.2(6) . . ?
C11 C5_1 H5_1 171.4 . . ?
C11 C5_1 Fe3_1 46.1(5) . . ?
C1_1 C5_1 Fe2 65.7(5) . . ?
C1_1 C5_1 C7 5.5(6) . . ?
C1_1 C5_1 C11 51.1(7) . . ?
C1_1 C5_1 H5_1 126.2 . . ?
C1_1 C5_1 Fe3_1 69.0 . . ?
C4_1 C5_1 Fe2 101.7(5) . . ?
C4_1 C5_1 C7 103.0(7) . . ?
C4_1 C5_1 C11 57.4(6) . . ?
C4_1 C5_1 C1_1 107.7 . . ?
C4_1 C5_1 H5_1 126.2 . . ?
C4_1 C5_1 Fe3_1 70.5 . . ?
Fe3_1 C5_1 H5_1 125.9 . . ?
C7 C6_1 Fe2 57.6(6) . . ?
C7 C6_1 C1_1 17.6(9) . . ?
C8 C6_1 Fe2 58.3(6) . . ?
C8 C6_1 C7 61.3(9) . . ?
C8 C6_1 C1_1 45.8(9) . . ?
C1_1 C6_1 Fe2 45.9(4) . . ?
C7_1 C6_1 Fe2 132.6(4) . . ?
C7_1 C6_1 C7 166.3(8) . . ?
C7_1 C6_1 C8 130.3(9) . . ?
C7_1 C6_1 C1_1 175.9 . . ?
C6_1 C7_1 C8_1 175.0 . . ?
C7_1 C8_1 C9_1 125.0 . . ?
C7_1 C8_1 C12_1 126.9 . . ?
C7_1 C8_1 Fe1_1 130.4 . . ?
C9_1 C8_1 Fe1_1 69.2 . . ?
C12_1 C8_1 C9_1 107.9 . . ?
C12_1 C8_1 Fe1_1 69.5 . . ?
C8_1 C9_1 H9_1 125.8 . . ?
C8_1 C9_1 Fe1_1 69.9 . . ?
C10_1 C9_1 C8_1 108.4 . . ?
C10_1 C9_1 H9_1 125.8 . . ?
C10_1 C9_1 Fe1_1 69.6 . . ?
Fe1_1 C9_1 H9_1 125.8 . . ?
C9_1 C10_1 H10_1 126.0 . . ?
C9_1 C10_1 C11_1 108.0 . . ?
C9_1 C10_1 Fe1_1 69.9 . . ?
C11_1 C10_1 H10_1 126.0 . . ?
C11_1 C10_1 Fe1_1 69.8 . . ?
Fe1_1 C10_1 H10_1 126.0 . . ?
C10_1 C11_1 H11_1 125.9 . . ?
C10_1 C11_1 C12_1 108.2 . . ?
C10_1 C11_1 Fe1_1 69.3 . . ?
C12_1 C11_1 H11_1 125.9 . . ?
C12_1 C11_1 Fe1_1 69.6 . . ?
Fe1_1 C11_1 H11_1 125.9 . . ?
C8_1 C12_1 C11_1 107.5 . . ?
C8_1 C12_1 H12_1 126.3 . . ?
C8_1 C12_1 Fe1_1 69.7 . . ?
C11_1 C12_1 H12_1 126.3 . . ?
C11_1 C12_1 Fe1_1 69.4 . . ?
Fe1_1 C12_1 H12_1 126.3 . . ?
C14_1 C13_1 Fe1_1 68.8 . . ?
C17_1 C13_1 C14_1 107.1 . . ?
C17_1 C13_1 Fe1_1 69.0 . . ?
C18_1 C13_1 C14_1 125.3 . . ?
C18_1 C13_1 C17_1 127.6 . . ?
C18_1 C13_1 Fe1_1 128.2 . . ?
C13_1 C14_1 H14_1 125.8 . . ?
C13_1 C14_1 Fe1_1 70.0 . . ?
C15_1 C14_1 C13_1 108.4 . . ?
C15_1 C14_1 H14_1 125.8 . . ?
C15_1 C14_1 Fe1_1 69.6 . . ?
Fe1_1 C14_1 H14_1 126.2 . . ?
C14_1 C15_1 H15_1 125.8 . . ?
C14_1 C15_1 C16_1 108.3 . . ?
C14_1 C15_1 Fe1_1 69.9 . . ?
C16_1 C15_1 H15_1 125.8 . . ?
C16_1 C15_1 Fe1_1 69.5 . . ?
Fe1_1 C15_1 H15_1 126.4 . . ?
C15_1 C16_1 H16_1 126.0 . . ?
C15_1 C16_1 Fe1_1 69.4 . . ?
C17_1 C16_1 C15_1 107.9 . . ?
C17_1 C16_1 H16_1 126.0 . . ?
C17_1 C16_1 Fe1_1 69.7 . . ?
Fe1_1 C16_1 H16_1 126.4 . . ?
C13_1 C17_1 H17_1 125.8 . . ?
C13_1 C17_1 Fe1_1 70.1 . . ?
C16_1 C17_1 C13_1 108.3 . . ?
C16_1 C17_1 H17_1 125.8 . . ?
C16_1 C17_1 Fe1_1 69.5 . . ?
Fe1_1 C17_1 H17_1 126.2 . . ?
C19_1 C18_1 C13_1 177.4 . . ?
C18_1 C19_1 C20_1 178.3 . . ?
C19_1 C20_1 C21_1 127.6 . . ?
C19_1 C20_1 C24_1 125.2 . . ?
C19_1 C20_1 Fe2_1 124.7 . . ?
C21_1 C20_1 C24_1 107.2 . . ?
C21_1 C20_1 Fe2_1 69.8 . . ?
C24_1 C20_1 Fe2_1 69.2 . . ?
C20_1 C21_1 H21_1 125.6 . . ?
C20_1 C21_1 C22_1 108.8 . . ?
C20_1 C21_1 Fe2_1 69.3 . . ?
C22_1 C21_1 H21_1 125.6 . . ?
C22_1 C21_1 Fe2_1 70.7 . . ?
Fe2_1 C21_1 H21_1 125.9 . . ?
C21_1 C22_1 H22_1 126.3 . . ?
C21_1 C22_1 C23_1 107.4 . . ?
C21_1 C22_1 Fe2_1 68.7 . . ?
C23_1 C22_1 H22_1 126.3 . . ?
C23_1 C22_1 Fe2_1 68.9 . . ?
Fe2_1 C22_1 H22_1 127.7 . . ?
C22_1 C23_1 H23_1 125.9 . . ?
C22_1 C23_1 Fe2_1 70.5 . . ?
C24_1 C23_1 C22_1 108.1 . . ?
C24_1 C23_1 H23_1 125.9 . . ?
C24_1 C23_1 Fe2_1 69.0 . . ?
Fe2_1 C23_1 H23_1 126.2 . . ?
C20_1 C24_1 H24_1 125.8 . . ?
C20_1 C24_1 Fe2_1 69.7 . . ?
C23_1 C24_1 C20_1 108.4 . . ?
C23_1 C24_1 H24_1 125.8 . . ?
C23_1 C24_1 Fe2_1 70.2 . . ?
Fe2_1 C24_1 H24_1 125.9 . . ?
C26_1 C25_1 C29_1 108.6 . . ?
C26_1 C25_1 Fe2_1 70.0 . . ?
C29_1 C25_1 Fe2_1 69.9 . . ?
C30_1 C25_1 C26_1 126.1 . . ?
C30_1 C25_1 C29_1 125.3 . . ?
C30_1 C25_1 Fe2_1 124.9 . . ?
C25_1 C26_1 H26_1 126.3 . . ?
C25_1 C26_1 C27_1 107.4 . . ?
C25_1 C26_1 Fe2_1 68.6 . . ?
C27_1 C26_1 H26_1 126.3 . . ?
C27_1 C26_1 Fe2_1 69.5 . . ?
Fe2_1 C26_1 H26_1 127.1 . . ?
C26_1 C27_1 H27_1 126.0 . . ?
C26_1 C27_1 Fe2_1 69.2 . . ?
C28_1 C27_1 C26_1 108.0 . . ?
C28_1 C27_1 H27_1 126.0 . . ?
C28_1 C27_1 Fe2_1 69.3 . . ?
Fe2_1 C27_1 H27_1 127.1 . . ?
C27_1 C28_1 H28_1 125.8 . . ?
C27_1 C28_1 Fe2_1 69.6 . . ?
C29_1 C28_1 C27_1 108.4 . . ?
C29_1 C28_1 H28_1 125.8 . . ?
C29_1 C28_1 Fe2_1 69.4 . . ?
Fe2_1 C28_1 H28_1 126.8 . . ?
C25_1 C29_1 H29_1 126.2 . . ?
C25_1 C29_1 Fe2_1 68.6 . . ?
C28_1 C29_1 C25_1 107.6 . . ?
C28_1 C29_1 H29_1 126.2 . . ?
C28_1 C29_1 Fe2_1 69.6 . . ?
Fe2_1 C29_1 H29_1 127.1 . . ?
C25_1 C30_1 C6 173.4(5) . . ?
C31_1 C30_1 C6 7.4(6) . . ?
C31_1 C30_1 C25_1 178.43(7) . . ?
C5 C31_1 Fe2 61.0(7) . . ?
C5 C31_1 C32_1 67.5(9) . . ?
C6 C31_1 Fe2 56.9(11) . . ?
C6 C31_1 C5 86.3(18) . . ?
C6 C31_1 C30_1 160.7(15) . . ?
C6 C31_1 C32_1 19.1(15) . . ?
C30_1 C31_1 Fe2 134.1(4) . . ?
C30_1 C31_1 C5 112.8(9) . . ?
C30_1 C31_1 C32_1 179.43(12) . . ?
C32_1 C31_1 Fe2 45.5(4) . . ?
Fe2 C32_1 C4 71.3(6) . . ?
Fe2 C32_1 Fe3_1 32.6(6) . . ?
C2 C32_1 Fe2 102.2(14) . . ?
C2 C32_1 C3 65.4(13) . . ?
C2 C32_1 C4 113.9(18) . . ?
C2 C32_1 C5 161(2) . . ?
C2 C32_1 C31_1 145.0(14) . . ?
C2 C32_1 C33_1 21.7(15) . . ?
C2 C32_1 C36_1 87.8(15) . . ?
C2 C32_1 Fe3_1 69.7(11) . . ?
C3 C32_1 Fe2 77.5(8) . . ?
C3 C32_1 C4 48.7(6) . . ?
C3 C32_1 Fe3_1 62.7(6) . . ?
C4 C32_1 Fe3_1 83.9(6) . . ?
C5 C32_1 Fe2 80.1(8) . . ?
C5 C32_1 C3 97.2(11) . . ?
C5 C32_1 C4 48.6(6) . . ?
C5 C32_1 Fe3_1 110.3(6) . . ?
C6 C32_1 Fe2 106.2(15) . . ?
C6 C32_1 C2 127(2) . . ?
C6 C32_1 C3 165(2) . . ?
C6 C32_1 C4 117.7(18) . . ?
C6 C32_1 C5 69.3(14) . . ?
C6 C32_1 C31_1 18.5(15) . . ?
C6 C32_1 C33_1 108.3(15) . . ?
C6 C32_1 C36_1 144.0(15) . . ?
C6 C32_1 Fe3_1 127.8(14) . . ?
C31_1 C32_1 Fe2 97.5(6) . . ?
C31_1 C32_1 C3 148.1(7) . . ?
C31_1 C32_1 C4 99.7(7) . . ?
C31_1 C32_1 C5 51.1(8) . . ?
C31_1 C32_1 C33_1 126.4 . . ?
C31_1 C32_1 C36_1 126.1 . . ?
C31_1 C32_1 Fe3_1 126.0 . . ?
C33_1 C32_1 Fe2 99.7(5) . . ?
C33_1 C32_1 C3 85.3(7) . . ?
C33_1 C32_1 C4 133.9(7) . . ?
C33_1 C32_1 C5 177.3(8) . . ?
C33_1 C32_1 Fe3_1 70.0 . . ?
C36_1 C32_1 Fe2 71.4(5) . . ?
C36_1 C32_1 C3 22.3(8) . . ?
C36_1 C32_1 C4 26.4(7) . . ?
C36_1 C32_1 C5 75.0(8) . . ?
C36_1 C32_1 C33_1 107.5 . . ?
C36_1 C32_1 Fe3_1 69.5 . . ?
Fe2 C33_1 H33_1 126.0 . . ?
C1 C33_1 Fe2 148.2(19) . . ?
C1 C33_1 C3 124(2) . . ?
C1 C33_1 C6 155(2) . . ?
C1 C33_1 C32_1 164.4(18) . . ?
C1 C33_1 H33_1 59.2 . . ?
C1 C33_1 C34_1 69(2) . . ?
C1 C33_1 Fe3_1 121.6(16) . . ?
C2 C33_1 Fe2 52.5(11) . . ?
C2 C33_1 C1 143(3) . . ?
C2 C33_1 C3 28.1(13) . . ?
C2 C33_1 C6 46.4(14) . . ?
C2 C33_1 C32_1 24.7(17) . . ?
C2 C33_1 H33_1 147.2 . . ?
C2 C33_1 C34_1 85.1(17) . . ?
C2 C33_1 Fe3_1 68.6(12) . . ?
C3 C33_1 Fe2 53.9(4) . . ?
C3 C33_1 H33_1 175.2 . . ?
C3 C33_1 Fe3_1 55.8(5) . . ?
C6 C33_1 Fe2 55.8(5) . . ?
C6 C33_1 C3 73.0(7) . . ?
C6 C33_1 H33_1 102.9 . . ?
C6 C33_1 Fe3_1 82.8(5) . . ?
C32_1 C33_1 Fe2 44.0(4) . . ?
C32_1 C33_1 C3 49.8(6) . . ?
C32_1 C33_1 C6 23.4(6) . . ?
C32_1 C33_1 H33_1 126.2 . . ?
C32_1 C33_1 Fe3_1 68.6 . . ?
C34_1 C33_1 Fe2 91.4(4) . . ?
C34_1 C33_1 C3 57.9(6) . . ?
C34_1 C33_1 C6 130.9(6) . . ?
C34_1 C33_1 C32_1 107.5 . . ?
C34_1 C33_1 H33_1 126.2 . . ?
C34_1 C33_1 Fe3_1 69.9 . . ?
Fe3_1 C33_1 Fe2 27.1(4) . . ?
Fe3_1 C33_1 H33_1 126.9 . . ?
C1 C34_1 C2 58.4(9) . . ?
C1 C34_1 C3 108.7(13) . . ?
C1 C34_1 C33_1 32.0(8) . . ?
C1 C34_1 H34_1 95.1 . . ?
C1 C34_1 C35_1 137.9(9) . . ?
C1 C34_1 Fe3_1 93.8(8) . . ?
C2 C34_1 C3 50.6(6) . . ?
C2 C34_1 H34_1 153.5 . . ?
C2 C34_1 Fe3_1 62.0(5) . . ?
C3 C34_1 H34_1 155.5 . . ?
C3 C34_1 Fe3_1 59.5(5) . . ?
C33_1 C34_1 C2 28.1(8) . . ?
C33_1 C34_1 C3 78.5(7) . . ?
C33_1 C34_1 H34_1 126.0 . . ?
C33_1 C34_1 Fe3_1 69.3 . . ?
C35_1 C34_1 C2 80.2(7) . . ?
C35_1 C34_1 C3 29.5(7) . . ?
C35_1 C34_1 C33_1 108.0 . . ?
C35_1 C34_1 H34_1 126.0 . . ?
C35_1 C34_1 Fe3_1 70.3 . . ?
Fe3_1 C34_1 H34_1 126.0 . . ?
C2 C35_1 H35_1 174.7 . . ?
C2 C35_1 Fe3_1 56.9(5) . . ?
C3 C35_1 C2 43.8(12) . . ?
C3 C35_1 C34_1 96.6(14) . . ?
C3 C35_1 H35_1 137.4 . . ?
C3 C35_1 C36_1 13.0(14) . . ?
C3 C35_1 Fe3_1 67.2(10) . . ?
C34_1 C35_1 C2 52.7(6) . . ?
C34_1 C35_1 H35_1 125.7 . . ?
C34_1 C35_1 Fe3_1 69.2 . . ?
C36_1 C35_1 C2 56.1(6) . . ?
C36_1 C35_1 C34_1 108.6 . . ?
C36_1 C35_1 H35_1 125.7 . . ?
C36_1 C35_1 Fe3_1 68.6 . . ?
Fe3_1 C35_1 H35_1 128.1 . . ?
Fe2 C36_1 H36_1 102.7 . . ?
Fe2 C36_1 Fe3_1 32.3(5) . . ?
C2 C36_1 Fe2 71.6(6) . . ?
C2 C36_1 C5 84.4(9) . . ?
C2 C36_1 H36_1 155.8 . . ?
C2 C36_1 Fe3_1 61.6(6) . . ?
C3 C36_1 Fe2 101.0(16) . . ?
C3 C36_1 C2 59.7(17) . . ?
C3 C36_1 C4 164(3) . . ?
C3 C36_1 C5 144(3) . . ?
C3 C36_1 C32_1 90(2) . . ?
C3 C36_1 C35_1 19(2) . . ?
C3 C36_1 H36_1 143.3 . . ?
C3 C36_1 Fe3_1 69.6(15) . . ?
C4 C36_1 Fe2 92.7(12) . . ?
C4 C36_1 C2 134.1(19) . . ?
C4 C36_1 C5 49.9(11) . . ?
C4 C36_1 C32_1 104.0(14) . . ?
C4 C36_1 C35_1 147.6(14) . . ?
C4 C36_1 H36_1 21.8 . . ?
C4 C36_1 Fe3_1 122.5(11) . . ?
C5 C36_1 Fe2 69.1(6) . . ?
C5 C36_1 H36_1 71.7 . . ?
C5 C36_1 Fe3_1 99.0(5) . . ?
C32_1 C36_1 Fe2 60.7(5) . . ?
C32_1 C36_1 C2 30.6(8) . . ?
C32_1 C36_1 C5 54.1(6) . . ?
C32_1 C36_1 H36_1 125.8 . . ?
C32_1 C36_1 Fe3_1 69.1 . . ?
C35_1 C36_1 Fe2 103.4(5) . . ?
C35_1 C36_1 C2 78.1(8) . . ?
C35_1 C36_1 C5 162.5(6) . . ?
C35_1 C36_1 C32_1 108.4 . . ?
C35_1 C36_1 H36_1 125.8 . . ?
C35_1 C36_1 Fe3_1 71.3 . . ?
Fe3_1 C36_1 H36_1 125.4 . . ?
C9_1 Fe1_1 C8_1 40.9 . . ?
C9_1 Fe1_1 C11_1 68.4 . . ?
C9_1 Fe1_1 C12_1 68.8 . . ?
C9_1 Fe1_1 C13_1 108.3 . . ?
C10_1 Fe1_1 C8_1 68.7 . . ?
C10_1 Fe1_1 C9_1 40.5 . . ?
C10_1 Fe1_1 C11_1 40.9 . . ?
C10_1 Fe1_1 C12_1 69.0 . . ?
C10_1 Fe1_1 C13_1 119.9 . . ?
C11_1 Fe1_1 C8_1 68.5 . . ?
C11_1 Fe1_1 C12_1 40.9 . . ?
C11_1 Fe1_1 C13_1 154.3 . . ?
C12_1 Fe1_1 C8_1 40.8 . . ?
C12_1 Fe1_1 C13_1 163.8 . . ?
C13_1 Fe1_1 C8_1 126.7 . . ?
C14_1 Fe1_1 C8_1 107.8 . . ?
C14_1 Fe1_1 C9_1 120.6 . . ?
C14_1 Fe1_1 C10_1 155.1 . . ?
C14_1 Fe1_1 C11_1 162.8 . . ?
C14_1 Fe1_1 C12_1 125.4 . . ?
C14_1 Fe1_1 C13_1 41.2 . . ?
C15_1 Fe1_1 C8_1 119.4 . . ?
C15_1 Fe1_1 C9_1 154.7 . . ?
C15_1 Fe1_1 C10_1 163.1 . . ?
C15_1 Fe1_1 C11_1 125.3 . . ?
C15_1 Fe1_1 C12_1 106.6 . . ?
C15_1 Fe1_1 C13_1 68.9 . . ?
C15_1 Fe1_1 C14_1 40.5 . . ?
C15_1 Fe1_1 C16_1 41.1 . . ?
C15_1 Fe1_1 C17_1 68.9 . . ?
C16_1 Fe1_1 C8_1 153.8 . . ?
C16_1 Fe1_1 C9_1 163.4 . . ?
C16_1 Fe1_1 C10_1 125.5 . . ?
C16_1 Fe1_1 C11_1 106.6 . . ?
C16_1 Fe1_1 C12_1 118.6 . . ?
C16_1 Fe1_1 C13_1 68.9 . . ?
C16_1 Fe1_1 C14_1 68.8 . . ?
C16_1 Fe1_1 C17_1 40.9 . . ?
C17_1 Fe1_1 C8_1 164.3 . . ?
C17_1 Fe1_1 C9_1 126.4 . . ?
C17_1 Fe1_1 C10_1 107.3 . . ?
C17_1 Fe1_1 C11_1 119.2 . . ?
C17_1 Fe1_1 C12_1 153.6 . . ?
C17_1 Fe1_1 C13_1 41.0 . . ?
C17_1 Fe1_1 C14_1 69.0 . . ?
C20_1 Fe2_1 C21_1 40.9 . . ?
C20_1 Fe2_1 C22_1 68.7 . . ?
C20_1 Fe2_1 C23_1 69.0 . . ?
C20_1 Fe2_1 C27_1 166.7 . . ?
C21_1 Fe2_1 C22_1 40.6 . . ?
C21_1 Fe2_1 C23_1 68.5 . . ?
C23_1 Fe2_1 C22_1 40.6 . . ?
C24_1 Fe2_1 C20_1 41.1 . . ?
C24_1 Fe2_1 C21_1 68.7 . . ?
C24_1 Fe2_1 C22_1 68.5 . . ?
C24_1 Fe2_1 C23_1 40.8 . . ?
C24_1 Fe2_1 C26_1 116.3 . . ?
C24_1 Fe2_1 C27_1 151.5 . . ?
C24_1 Fe2_1 C28_1 165.1 . . ?
C24_1 Fe2_1 C29_1 126.1 . . ?
C25_1 Fe2_1 C20_1 116.1 . . ?
C25_1 Fe2_1 C21_1 151.3 . . ?
C25_1 Fe2_1 C22_1 165.3 . . ?
C25_1 Fe2_1 C23_1 126.2 . . ?
C25_1 Fe2_1 C24_1 105.3 . . ?
C25_1 Fe2_1 C26_1 41.4 . . ?
C25_1 Fe2_1 C27_1 69.5 . . ?
C25_1 Fe2_1 C28_1 69.4 . . ?
C25_1 Fe2_1 C29_1 41.5 . . ?
C26_1 Fe2_1 C20_1 150.3 . . ?
C26_1 Fe2_1 C21_1 166.9 . . ?
C26_1 Fe2_1 C22_1 128.1 . . ?
C26_1 Fe2_1 C23_1 106.8 . . ?
C26_1 Fe2_1 C27_1 41.3 . . ?
C26_1 Fe2_1 C28_1 69.5 . . ?
C27_1 Fe2_1 C21_1 129.1 . . ?
C27_1 Fe2_1 C22_1 109.2 . . ?
C27_1 Fe2_1 C23_1 118.6 . . ?
C28_1 Fe2_1 C20_1 127.5 . . ?
C28_1 Fe2_1 C21_1 108.9 . . ?
C28_1 Fe2_1 C22_1 119.9 . . ?
C28_1 Fe2_1 C23_1 153.3 . . ?
C28_1 Fe2_1 C27_1 41.1 . . ?
C29_1 Fe2_1 C20_1 106.2 . . ?
C29_1 Fe2_1 C21_1 118.1 . . ?
C29_1 Fe2_1 C22_1 152.8 . . ?
C29_1 Fe2_1 C23_1 164.5 . . ?
C29_1 Fe2_1 C26_1 69.8 . . ?
C29_1 Fe2_1 C27_1 69.3 . . ?
C29_1 Fe2_1 C28_1 41.0 . . ?
Fe2 Fe3_1 C2 80.4(9) . . ?
Fe2 Fe3_1 C3 80.3(8) . . ?
Fe2 Fe3_1 C10 88.2(10) . . ?
Fe2 Fe3_1 C11 102.0(11) . . ?
Fe2 Fe3_1 C1_1 60.0(7) . . ?
Fe2 Fe3_1 C2_1 99.5(8) . . ?
Fe2 Fe3_1 C5_1 60.0(7) . . ?
Fe2 Fe3_1 C32_1 56.3(7) . . ?
Fe2 Fe3_1 C33_1 94.5(8) . . ?
Fe2 Fe3_1 C34_1 124.3(7) . . ?
Fe2 Fe3_1 C36_1 63.9(7) . . ?
C2 Fe3_1 C3 43.9(4) . . ?
C2 Fe3_1 C1_1 140.3(6) . . ?
C2 Fe3_1 C2_1 165.4(6) . . ?
C2 Fe3_1 C5_1 121.7(7) . . ?
C2 Fe3_1 C32_1 24.1(6) . . ?
C2 Fe3_1 C33_1 21.0(6) . . ?
C2 Fe3_1 C34_1 46.0(6) . . ?
C2 Fe3_1 C36_1 48.8(6) . . ?
C3 Fe3_1 C1_1 119.1(6) . . ?
C3 Fe3_1 C2_1 121.5(7) . . ?
C3 Fe3_1 C5_1 140.3(6) . . ?
C3 Fe3_1 C32_1 46.4(7) . . ?
C3 Fe3_1 C33_1 61.7(7) . . ?
C3 Fe3_1 C34_1 52.4(6) . . ?
C3 Fe3_1 C36_1 16.9(6) . . ?
C10 Fe3_1 C2 122.5(10) . . ?
C10 Fe3_1 C3 163.4(11) . . ?
C10 Fe3_1 C1_1 63.4(7) . . ?
C10 Fe3_1 C2_1 72.0(7) . . ?
C10 Fe3_1 C5_1 30.4(7) . . ?
C10 Fe3_1 C32_1 117.0(7) . . ?
C10 Fe3_1 C33_1 107.8(7) . . ?
C10 Fe3_1 C34_1 129.1(7) . . ?
C10 Fe3_1 C36_1 151.0(7) . . ?
C11 Fe3_1 C2 173.3(11) . . ?
C11 Fe3_1 C3 142.4(11) . . ?
C11 Fe3_1 C10 51.8(5) . . ?
C11 Fe3_1 C1_1 43.1(8) . . ?
C11 Fe3_1 C2_1 20.9(8) . . ?
C11 Fe3_1 C5_1 55.9(8) . . ?
C11 Fe3_1 C32_1 157.8(8) . . ?
C11 Fe3_1 C33_1 152.5(7) . . ?
C11 Fe3_1 C34_1 133.0(8) . . ?
C11 Fe3_1 C36_1 137.9(8) . . ?
C1_1 Fe3_1 C2_1 41.1 . . ?
C1_1 Fe3_1 C5_1 41.3 . . ?
C1_1 Fe3_1 C33_1 152.0 . . ?
C1_1 Fe3_1 C34_1 164.3 . . ?
C1_1 Fe3_1 C36_1 104.9 . . ?
C2_1 Fe3_1 C34_1 128.1 . . ?
C5_1 Fe3_1 C2_1 69.4 . . ?
C5_1 Fe3_1 C33_1 117.8 . . ?
C5_1 Fe3_1 C34_1 154.2 . . ?
C32_1 Fe3_1 C1_1 116.1 . . ?
C32_1 Fe3_1 C2_1 151.8 . . ?
C32_1 Fe3_1 C5_1 104.2 . . ?
C32_1 Fe3_1 C33_1 41.4 . . ?
C32_1 Fe3_1 C34_1 69.1 . . ?
C32_1 Fe3_1 C36_1 41.4 . . ?
C33_1 Fe3_1 C2_1 165.9 . . ?
C33_1 Fe3_1 C34_1 40.8 . . ?
C36_1 Fe3_1 C2_1 118.0 . . ?
C36_1 Fe3_1 C5_1 123.7 . . ?
C36_1 Fe3_1 C33_1 69.3 . . ?
C36_1 Fe3_1 C34_1 68.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe1 C14 2.061(3) . ?
Fe1 C14 2.061(3) 6_766 ?
Fe1 C15 2.046(3) . ?
Fe1 C15 2.046(3) 6_766 ?
Fe1 C16 2.055(3) . ?
Fe1 C16 2.056(3) 6_766 ?
Fe1 C17 2.049(3) . ?
Fe1 C17 2.049(3) 6_766 ?
Fe1 C18 2.049(3) . ?
Fe1 C18 2.049(3) 6_766 ?
Fe2 C2 2.037(3) . ?
Fe2 C3 2.037(3) . ?
Fe2 C6 2.042(4) . ?
Fe2 C7 2.052(3) . ?
Fe2 C9 2.056(3) . ?
Fe2 C10 2.033(3) . ?
Fe2 C11 2.038(3) . ?
Fe2 C1_1 1.764(14) . ?
Fe2 C5_1 1.773(13) . ?
Fe2 C32_1 1.691(14) . ?
Fe2 C36_1 1.839(14) . ?
Fe2 Fe3_1 1.095(17) . ?
C1 C1 1.199(7) 6_766 ?
C1 C2 1.433(5) . ?
C1 C33_1 0.774(19) . ?
C1 C34_1 1.36(3) . ?
C2 C3 1.430(5) . ?
C2 C6 1.428(5) . ?
C2 C32_1 0.83(2) . ?
C2 C33_1 0.74(2) . ?
C2 C34_1 1.56(2) . ?
C2 C35_1 1.93(2) . ?
C2 C36_1 1.63(2) . ?
C2 Fe3_1 1.909(16) . ?
C3 H3 0.9500 . ?
C3 C4 1.420(5) . ?
C3 C32_1 1.56(2) . ?
C3 C33_1 2.04(2) . ?
C3 C34_1 1.76(2) . ?
C3 C35_1 0.87(2) . ?
C3 C36_1 0.59(2) . ?
C3 Fe3_1 1.912(15) . ?
C4 H4 0.9500 . ?
C4 C5 1.405(6) . ?
C4 C32_1 1.834(19) . ?
C4 C36_1 0.84(2) . ?
C5 H5 0.9500 . ?
C5 C6 1.424(6) . ?
C5 C31_1 1.26(2) . ?
C5 C32_1 1.50(2) . ?
C5 C36_1 1.79(2) . ?
C6 H6 0.9500 . ?
C6 C30_1 1.91(2) . ?
C6 C31_1 0.74(2) . ?
C6 C32_1 0.77(2) . ?
C6 C33_1 1.83(2) . ?
C7 H7 0.9500 . ?
C7 C8 1.419(5) . ?
C7 C11 1.432(5) . ?
C7 C2_1 1.22(2) . ?
C7 C5_1 1.84(2) . ?
C7 C6_1 1.40(2) . ?
C7 Fe3_1 2.219(16) . ?
C8 H8 0.9500 . ?
C8 C9 1.419(5) . ?
C8 C1_1 1.10(2) . ?
C8 C5_1 1.33(2) . ?
C8 C6_1 1.39(2) . ?
C9 H9 0.9500 . ?
C9 C10 1.421(5) . ?
C9 C1_1 1.88(2) . ?
C9 C4_1 1.77(2) . ?
C9 C5_1 0.58(2) . ?
C9 Fe3_1 2.489(17) . ?
C10 H10 0.9500 . ?
C10 C11 1.438(5) . ?
C10 C1_1 2.00(2) . ?
C10 C3_1 1.63(2) . ?
C10 C5_1 1.03(2) . ?
C10 Fe3_1 1.749(16) . ?
C11 C12 1.430(5) . ?
C11 C1_1 1.39(2) . ?
C11 C2_1 0.84(2) . ?
C11 C3_1 0.974(19) . ?
C11 C4_1 1.54(2) . ?
C11 C5_1 1.73(2) . ?
C11 Fe3_1 1.506(15) . ?
C12 C13 1.197(5) . ?
C12 C2_1 1.40(2) . ?
C12 C3_1 1.13(2) . ?
C12 Fe3_1 2.168(18) . ?
C13 C14 1.426(4) . ?
C14 C15 1.430(5) . ?
C14 C18 1.434(5) . ?
C15 H15 0.9500 . ?
C15 C16 1.411(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.426(6) . ?
C17 H17 0.9500 . ?
C17 C18 1.409(5) . ?
C18 H18 0.9500 . ?
C1_1 C2_1 1.4351 . ?
C1_1 C5_1 1.4387 . ?
C1_1 C6_1 1.4280 . ?
C1_1 Fe3_1 2.0362 . ?
C2_1 H2_1 0.9500 . ?
C2_1 C3_1 1.4440 . ?
C2_1 Fe3_1 2.0563 . ?
C3_1 H3_1 0.9500 . ?
C3_1 C4_1 1.4357 . ?
C3_1 Fe3_1 2.0629 . ?
C4_1 H4_1 0.9500 . ?
C4_1 C5_1 1.4123 . ?
C4_1 Fe3_1 2.0615 . ?
C5_1 H5_1 0.9500 . ?
C5_1 Fe3_1 2.0452 . ?
C6_1 C7_1 1.1941 . ?
C7_1 C8_1 1.4326 . ?
C8_1 C9_1 1.4387 . ?
C8_1 C12_1 1.4366 . ?
C8_1 Fe1_1 2.0633 . ?
C9_1 H9_1 1.0000 . ?
C9_1 C10_1 1.4226 . ?
C9_1 Fe1_1 2.0549 . ?
C10_1 H10_1 1.0000 . ?
C10_1 C11_1 1.4356 . ?
C10_1 Fe1_1 2.0510 . ?
C11_1 H11_1 1.0000 . ?
C11_1 C12_1 1.4392 . ?
C11_1 Fe1_1 2.0581 . ?
C12_1 H12_1 1.0000 . ?
C12_1 Fe1_1 2.0607 . ?
C13_1 C14_1 1.4461 . ?
C13_1 C17_1 1.4379 . ?
C13_1 C18_1 1.4250 . ?
C13_1 Fe1_1 2.0625 . ?
C14_1 H14_1 0.9500 . ?
C14_1 C15_1 1.4171 . ?
C14_1 Fe1_1 2.0474 . ?
C15_1 H15_1 0.9500 . ?
C15_1 C16_1 1.4343 . ?
C15_1 Fe1_1 2.0435 . ?
C16_1 H16_1 0.9500 . ?
C16_1 C17_1 1.4286 . ?
C16_1 Fe1_1 2.0446 . ?
C17_1 H17_1 0.9500 . ?
C17_1 Fe1_1 2.0474 . ?
C18_1 C19_1 1.2060 . ?
C19_1 C20_1 1.4222 . ?
C20_1 C21_1 1.4326 . ?
C20_1 C24_1 1.4368 . ?
C20_1 Fe2_1 2.0477 . ?
C21_1 H21_1 0.9500 . ?
C21_1 C22_1 1.4334 . ?
C21_1 Fe2_1 2.0539 . ?
C22_1 H22_1 0.9500 . ?
C22_1 C23_1 1.4374 . ?
C22_1 Fe2_1 2.0806 . ?
C23_1 H23_1 0.9500 . ?
C23_1 C24_1 1.4287 . ?
C23_1 Fe2_1 2.0584 . ?
C24_1 H24_1 0.9500 . ?
C24_1 Fe2_1 2.0413 . ?
C25_1 C26_1 1.4383 . ?
C25_1 C29_1 1.4429 . ?
C25_1 C30_1 1.4330 . ?
C25_1 Fe2_1 2.0273 . ?
C26_1 H26_1 0.9500 . ?
C26_1 C27_1 1.4452 . ?
C26_1 Fe2_1 2.0460 . ?
C27_1 H27_1 0.9500 . ?
C27_1 C28_1 1.4401 . ?
C27_1 Fe2_1 2.0512 . ?
C28_1 H28_1 0.9500 . ?
C28_1 C29_1 1.4318 . ?
C28_1 Fe2_1 2.0470 . ?
C29_1 H29_1 0.9500 . ?
C29_1 Fe2_1 2.0445 . ?
C30_1 C31_1 1.1953 . ?
C31_1 C32_1 1.4264 . ?
C32_1 C33_1 1.4416 . ?
C32_1 C36_1 1.4387 . ?
C32_1 Fe3_1 2.0318 . ?
C33_1 H33_1 0.9500 . ?
C33_1 C34_1 1.4340 . ?
C33_1 Fe3_1 2.0508 . ?
C34_1 H34_1 0.9500 . ?
C34_1 C35_1 1.4306 . ?
C34_1 Fe3_1 2.0583 . ?
C35_1 H35_1 0.9500 . ?
C35_1 C36_1 1.4095 . ?
C35_1 Fe3_1 2.0721 . ?
C36_1 H36_1 0.9500 . ?
C36_1 Fe3_1 2.0363 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 C14 C15 C16 59.9(2) . . . . ?
Fe1 C14 C18 C17 -59.5(2) . . . . ?
Fe1 C15 C16 C17 59.1(2) . . . . ?
Fe1 C16 C17 C18 59.6(2) . . . . ?
Fe1 C17 C18 C14 59.6(2) . . . . ?
Fe2 C2 C3 C4 60.5(2) . . . . ?
Fe2 C2 C3 C32_1 54.5(10) . . . . ?
Fe2 C2 C3 C33_1 -99(2) . . . . ?
Fe2 C2 C3 C34_1 -111.7(7) . . . . ?
Fe2 C2 C3 C35_1 -112.9(13) . . . . ?
Fe2 C2 C3 C36_1 55.7(15) . . . . ?
Fe2 C2 C3 Fe3_1 -34.4(6) . . . . ?
Fe2 C2 C6 C5 -60.1(2) . . . . ?
Fe2 C2 C6 C32_1 -48(2) . . . . ?
Fe2 C2 C6 C33_1 105.1(14) . . . . ?
Fe2 C2 C32_1 C3 -70.0(10) . . . . ?
Fe2 C2 C32_1 C4 -74.8(12) . . . . ?
Fe2 C2 C32_1 C5 -95(5) . . . . ?
Fe2 C2 C32_1 C6 121(3) . . . . ?
Fe2 C2 C32_1 C31_1 123(2) . . . . ?
Fe2 C2 C32_1 C33_1 85(3) . . . . ?
Fe2 C2 C32_1 C36_1 -70.5(8) . . . . ?
Fe2 C2 C32_1 Fe3_1 -1.6(13) . . . . ?
Fe2 C2 C33_1 C1 140(4) . . . . ?
Fe2 C2 C33_1 C3 82.0(15) . . . . ?
Fe2 C2 C33_1 C6 -75.6(8) . . . . ?
Fe2 C2 C33_1 C32_1 -60(2) . . . . ?
Fe2 C2 C33_1 C34_1 95.4(10) . . . . ?
Fe2 C2 C33_1 Fe3_1 25.2(5) . . . . ?
Fe2 C2 C34_1 C1 -123.6(5) . . . . ?
Fe2 C2 C34_1 C3 63.1(4) . . . . ?
Fe2 C2 C34_1 C33_1 -107.4(14) . . . . ?
Fe2 C2 C34_1 C35_1 63.8(5) . . . . ?
Fe2 C2 C34_1 Fe3_1 -9.0(3) . . . . ?
Fe2 C2 C36_1 C3 -115.4(17) . . . . ?
Fe2 C2 C36_1 C4 75.3(18) . . . . ?
Fe2 C2 C36_1 C5 69.8(5) . . . . ?
Fe2 C2 C36_1 C32_1 63.3(11) . . . . ?
Fe2 C2 C36_1 C35_1 -108.7(4) . . . . ?
Fe2 C2 C36_1 Fe3_1 -33.6(7) . . . . ?
Fe2 C3 C4 C5 58.9(2) . . . . ?
Fe2 C3 C4 C32_1 56.5(5) . . . . ?
Fe2 C3 C4 C36_1 30(11) . . . . ?
Fe2 C3 C32_1 C2 109.9(12) . . . . ?
Fe2 C3 C32_1 C4 -76.0(5) . . . . ?
Fe2 C3 C32_1 C5 -78.1(7) . . . . ?
Fe2 C3 C32_1 C6 -106(7) . . . . ?
Fe2 C3 C32_1 C31_1 -84.0(10) . . . . ?
Fe2 C3 C32_1 C33_1 101.0(4) . . . . ?
Fe2 C3 C32_1 C36_1 -71.4(16) . . . . ?
Fe2 C3 C32_1 Fe3_1 31.1(7) . . . . ?
Fe2 C3 C34_1 C1 -67.0(11) . . . . ?
Fe2 C3 C34_1 C2 -61.0(5) . . . . ?
Fe2 C3 C34_1 C33_1 -56.4(4) . . . . ?
Fe2 C3 C34_1 C35_1 120.3(12) . . . . ?
Fe2 C3 C34_1 Fe3_1 16.2(4) . . . . ?
Fe2 C3 C35_1 C2 -77.2(8) . . . . ?
Fe2 C3 C35_1 C34_1 -76.0(12) . . . . ?
Fe2 C3 C35_1 C36_1 81(4) . . . . ?
Fe2 C3 C35_1 Fe3_1 -11.9(7) . . . . ?
Fe2 C3 C36_1 C2 60.8(13) . . . . ?
Fe2 C3 C36_1 C4 -148(12) . . . . ?
Fe2 C3 C36_1 C5 70(2) . . . . ?
Fe2 C3 C36_1 C32_1 60.1(9) . . . . ?
Fe2 C3 C36_1 C35_1 -99(4) . . . . ?
Fe2 C3 C36_1 Fe3_1 -7.4(16) . . . . ?
Fe2 C4 C5 C6 58.6(3) . . . . ?
Fe2 C4 C5 C31_1 58.2(13) . . . . ?
Fe2 C4 C5 C32_1 55.8(6) . . . . ?
Fe2 C4 C5 C36_1 54.9(11) . . . . ?
Fe2 C4 C32_1 C2 95.5(15) . . . . ?
Fe2 C4 C32_1 C3 89.6(6) . . . . ?
Fe2 C4 C32_1 C5 -93.2(6) . . . . ?
Fe2 C4 C32_1 C6 -98.9(17) . . . . ?
Fe2 C4 C32_1 C31_1 -94.7(5) . . . . ?
Fe2 C4 C32_1 C33_1 85.4(7) . . . . ?
Fe2 C4 C32_1 C36_1 85.7(12) . . . . ?
Fe2 C4 C32_1 Fe3_1 30.9(5) . . . . ?
Fe2 C4 C36_1 C2 -66.7(15) . . . . ?
Fe2 C4 C36_1 C3 148(12) . . . . ?
Fe2 C4 C36_1 C5 -59.6(9) . . . . ?
Fe2 C4 C36_1 C32_1 -60.4(5) . . . . ?
Fe2 C4 C36_1 C35_1 121(2) . . . . ?
Fe2 C4 C36_1 Fe3_1 13.5(6) . . . . ?
Fe2 C5 C6 C2 59.5(2) . . . . ?
Fe2 C5 C6 C30_1 -122.1(8) . . . . ?
Fe2 C5 C6 C31_1 -120.3(16) . . . . ?
Fe2 C5 C6 C32_1 53.7(11) . . . . ?
Fe2 C5 C6 C33_1 52.5(8) . . . . ?
Fe2 C5 C31_1 C6 53.9(14) . . . . ?
Fe2 C5 C31_1 C30_1 -129.1(3) . . . . ?
Fe2 C5 C31_1 C32_1 50.4(3) . . . . ?
Fe2 C5 C32_1 C2 99(5) . . . . ?
Fe2 C5 C32_1 C3 75.9(7) . . . . ?
Fe2 C5 C32_1 C4 73.8(6) . . . . ?
Fe2 C5 C32_1 C6 -111.6(14) . . . . ?
Fe2 C5 C32_1 C31_1 -108.1(6) . . . . ?
Fe2 C5 C32_1 C36_1 73.3(5) . . . . ?
Fe2 C5 C32_1 Fe3_1 12.4(4) . . . . ?
Fe2 C5 C36_1 C2 -72.4(5) . . . . ?
Fe2 C5 C36_1 C3 -80(3) . . . . ?
Fe2 C5 C36_1 C4 112.8(13) . . . . ?
Fe2 C5 C36_1 C32_1 -68.2(6) . . . . ?
Fe2 C5 C36_1 C35_1 -67.4(16) . . . . ?
Fe2 C5 C36_1 Fe3_1 -12.4(3) . . . . ?
Fe2 C6 C31_1 C5 -57.5(11) . . . . ?
Fe2 C6 C31_1 C30_1 131(3) . . . . ?
Fe2 C6 C31_1 C32_1 -48(3) . . . . ?
Fe2 C6 C32_1 C2 -119(3) . . . . ?
Fe2 C6 C32_1 C3 102(7) . . . . ?
Fe2 C6 C32_1 C4 77.0(14) . . . . ?
Fe2 C6 C32_1 C5 72.5(10) . . . . ?
Fe2 C6 C32_1 C31_1 64(4) . . . . ?
Fe2 C6 C32_1 C33_1 -106.2(11) . . . . ?
Fe2 C6 C32_1 C36_1 81(2) . . . . ?
Fe2 C6 C32_1 Fe3_1 -27.7(6) . . . . ?
Fe2 C6 C33_1 C1 -166(6) . . . . ?
Fe2 C6 C33_1 C2 68.4(13) . . . . ?
Fe2 C6 C33_1 C3 57.6(3) . . . . ?
Fe2 C6 C33_1 C32_1 51.8(12) . . . . ?
Fe2 C6 C33_1 C34_1 56.6(7) . . . . ?
Fe2 C6 C33_1 Fe3_1 1.2(3) . . . . ?
Fe2 C7 C8 C9 -58.4(2) . . . . ?
Fe2 C7 C8 C1_1 -34(4) . . . . ?
Fe2 C7 C8 C5_1 -58.1(6) . . . . ?
Fe2 C7 C8 C6_1 98.9(8) . . . . ?
Fe2 C7 C11 C10 59.4(2) . . . . ?
Fe2 C7 C11 C12 -117.7(3) . . . . ?
Fe2 C7 C11 C1_1 45(2) . . . . ?
Fe2 C7 C11 C2_1 -134.8(16) . . . . ?
Fe2 C7 C11 C3_1 166(3) . . . . ?
Fe2 C7 C11 C4_1 74.1(8) . . . . ?
Fe2 C7 C11 C5_1 59.2(5) . . . . ?
Fe2 C7 C11 Fe3_1 -15.0(7) . . . . ?
Fe2 C7 C2_1 C11 41.7(14) . . . . ?
Fe2 C7 C2_1 C12 5(5) . . . . ?
Fe2 C7 C2_1 C1_1 42(3) . . . . ?
Fe2 C7 C2_1 C3_1 61.0(9) . . . . ?
Fe2 C7 C2_1 Fe3_1 2.1(4) . . . . ?
Fe2 C7 C5_1 C8 97.7(7) . . . . ?
Fe2 C7 C5_1 C9 99(3) . . . . ?
Fe2 C7 C5_1 C10 -83.5(10) . . . . ?
Fe2 C7 C5_1 C11 -83.2(5) . . . . ?
Fe2 C7 C5_1 C1_1 50(6) . . . . ?
Fe2 C7 C5_1 C4_1 -97.7(4) . . . . ?
Fe2 C7 C5_1 Fe3_1 -34.6(6) . . . . ?
Fe2 C7 C6_1 C8 -68.8(4) . . . . ?
Fe2 C7 C6_1 C1_1 -44(2) . . . . ?
Fe2 C7 C6_1 C7_1 141(3) . . . . ?
Fe2 C8 C9 C10 -58.6(2) . . . . ?
Fe2 C8 C9 C1_1 -52.9(8) . . . . ?
Fe2 C8 C9 C4_1 -70.6(6) . . . . ?
Fe2 C8 C9 C5_1 -57.4(16) . . . . ?
Fe2 C8 C9 Fe3_1 -23.1(4) . . . . ?
Fe2 C8 C1_1 C9 61.1(7) . . . . ?
Fe2 C8 C1_1 C10 64.9(6) . . . . ?
Fe2 C8 C1_1 C11 74.3(16) . . . . ?
Fe2 C8 C1_1 C2_1 126(3) . . . . ?
Fe2 C8 C1_1 C5_1 63.1(8) . . . . ?
Fe2 C8 C1_1 C6_1 -99.6(6) . . . . ?
Fe2 C8 C1_1 Fe3_1 18.6(4) . . . . ?
Fe2 C8 C5_1 C7 -69.1(6) . . . . ?
Fe2 C8 C5_1 C9 111.7(18) . . . . ?
Fe2 C8 C5_1 C10 -72(3) . . . . ?
Fe2 C8 C5_1 C11 -69.8(6) . . . . ?
Fe2 C8 C5_1 C1_1 -63.5(9) . . . . ?
Fe2 C8 C5_1 C4_1 -100.1(14) . . . . ?
Fe2 C8 C5_1 Fe3_1 -23.4(4) . . . . ?
Fe2 C8 C6_1 C7 67.6(4) . . . . ?
Fe2 C8 C6_1 C1_1 57.3(6) . . . . ?
Fe2 C8 C6_1 C7_1 -121.3(5) . . . . ?
Fe2 C9 C10 C11 -59.6(2) . . . . ?
Fe2 C9 C10 C1_1 -56.1(5) . . . . ?
Fe2 C9 C10 C3_1 -84.4(11) . . . . ?
Fe2 C9 C10 C5_1 -58(2) . . . . ?
Fe2 C9 C10 Fe3_1 -2.1(6) . . . . ?
Fe2 C9 C1_1 C8 -109.8(10) . . . . ?
Fe2 C9 C1_1 C10 75.9(5) . . . . ?
Fe2 C9 C1_1 C11 79.3(7) . . . . ?
Fe2 C9 C1_1 C2_1 90.4(5) . . . . ?
Fe2 C9 C1_1 C5_1 78(2) . . . . ?
Fe2 C9 C1_1 C6_1 -91.0(4) . . . . ?
Fe2 C9 C1_1 Fe3_1 32.2(5) . . . . ?
Fe2 C9 C4_1 C11 -46.9(6) . . . . ?
Fe2 C9 C4_1 C3_1 -57.3(7) . . . . ?
Fe2 C9 C4_1 C5_1 -46.6(18) . . . . ?
Fe2 C9 C4_1 Fe3_1 -0.6(3) . . . . ?
Fe2 C9 C5_1 C7 -81(2) . . . . ?
Fe2 C9 C5_1 C8 -80.5(15) . . . . ?
Fe2 C9 C5_1 C10 101(3) . . . . ?
Fe2 C9 C5_1 C1_1 -75.8(16) . . . . ?
Fe2 C9 C5_1 C4_1 117(2) . . . . ?
Fe2 C9 C5_1 Fe3_1 27.1(10) . . . . ?
Fe2 C10 C11 C7 -59.9(2) . . . . ?
Fe2 C10 C11 C12 117.2(3) . . . . ?
Fe2 C10 C11 C1_1 -55.8(6) . . . . ?
Fe2 C10 C11 C2_1 -98(4) . . . . ?
Fe2 C10 C11 C3_1 147.8(12) . . . . ?
Fe2 C10 C11 C4_1 166(3) . . . . ?
Fe2 C10 C11 C5_1 -59.6(8) . . . . ?
Fe2 C10 C11 Fe3_1 33.3(7) . . . . ?
Fe2 C10 C3_1 C11 -30.6(11) . . . . ?
Fe2 C10 C3_1 C12 16(2) . . . . ?
Fe2 C10 C3_1 C2_1 -41.0(5) . . . . ?
Fe2 C10 C3_1 C4_1 171(3) . . . . ?
Fe2 C10 C3_1 Fe3_1 20.2(3) . . . . ?
Fe2 C10 C5_1 C7 68.2(7) . . . . ?
Fe2 C10 C5_1 C8 70(3) . . . . ?
Fe2 C10 C5_1 C9 -114(3) . . . . ?
Fe2 C10 C5_1 C11 68.0(7) . . . . ?
Fe2 C10 C5_1 C1_1 64.1(5) . . . . ?
Fe2 C10 C5_1 C4_1 159(5) . . . . ?
Fe2 C10 C5_1 Fe3_1 12.7(12) . . . . ?
Fe2 C10 Fe3_1 C2 77.4(12) . . . . ?
Fe2 C10 Fe3_1 C3 46(3) . . . . ?
Fe2 C10 Fe3_1 C11 -106.9(10) . . . . ?
Fe2 C10 Fe3_1 C1_1 -57.0(10) . . . . ?
Fe2 C10 Fe3_1 C2_1 -100.6(8) . . . . ?
Fe2 C10 Fe3_1 C5_1 -20.9(19) . . . . ?
Fe2 C10 Fe3_1 C32_1 50.3(7) . . . . ?
Fe2 C10 Fe3_1 C33_1 94.1(9) . . . . ?
Fe2 C10 Fe3_1 C34_1 134.4(12) . . . . ?
Fe2 C10 Fe3_1 C36_1 15.0(9) . . . . ?
Fe2 C11 C12 C2_1 -104.4(14) . . . . ?
Fe2 C11 C12 C3_1 127.2(15) . . . . ?
Fe2 C11 C12 Fe3_1 15.0(6) . . . . ?
Fe2 C11 C1_1 C8 -78.2(17) . . . . ?
Fe2 C11 C1_1 C9 -68.4(6) . . . . ?
Fe2 C11 C1_1 C10 -65.2(6) . . . . ?
Fe2 C11 C1_1 C2_1 128.4(9) . . . . ?
Fe2 C11 C1_1 C5_1 -68.0(5) . . . . ?
Fe2 C11 C1_1 C6_1 86.6(16) . . . . ?
Fe2 C11 C1_1 Fe3_1 7.7(11) . . . . ?
Fe2 C11 C2_1 C7 -46.1(14) . . . . ?
Fe2 C11 C2_1 C12 119.4(6) . . . . ?
Fe2 C11 C2_1 C1_1 -46.2(6) . . . . ?
Fe2 C11 C2_1 C3_1 159(2) . . . . ?
Fe2 C11 C2_1 Fe3_1 34.5(11) . . . . ?
Fe2 C11 C3_1 C10 47.6(16) . . . . ?
Fe2 C11 C3_1 C12 -101.0(17) . . . . ?
Fe2 C11 C3_1 C2_1 -151(3) . . . . ?
Fe2 C11 C3_1 C4_1 53.6(16) . . . . ?
Fe2 C11 C3_1 Fe3_1 -20.9(7) . . . . ?
Fe2 C11 C4_1 C9 46.7(6) . . . . ?
Fe2 C11 C4_1 C3_1 -147.0(10) . . . . ?
Fe2 C11 C4_1 C5_1 46.6(3) . . . . ?
Fe2 C11 C4_1 Fe3_1 -31.7(6) . . . . ?
Fe2 C11 C5_1 C7 78.7(5) . . . . ?
Fe2 C11 C5_1 C8 79.4(7) . . . . ?
Fe2 C11 C5_1 C10 -101.7(10) . . . . ?
Fe2 C11 C5_1 C1_1 73.5(6) . . . . ?
Fe2 C11 C5_1 C4_1 -118.2(4) . . . . ?
Fe2 C11 C5_1 Fe3_1 -24.4(9) . . . . ?
Fe2 C11 Fe3_1 C3 -89.7(19) . . . . ?
Fe2 C11 Fe3_1 C10 77.9(10) . . . . ?
Fe2 C11 Fe3_1 C1_1 -12.5(17) . . . . ?
Fe2 C11 Fe3_1 C2_1 -85(2) . . . . ?
Fe2 C11 Fe3_1 C5_1 40.3(13) . . . . ?
Fe2 C11 Fe3_1 C32_1 11.6(12) . . . . ?
Fe2 C11 Fe3_1 C33_1 126(2) . . . . ?
Fe2 C11 Fe3_1 C34_1 -170.9(16) . . . . ?
Fe2 C11 Fe3_1 C36_1 -64.1(10) . . . . ?
Fe2 C1_1 C2_1 C7 -128(3) . . . . ?
Fe2 C1_1 C2_1 C11 51.8(11) . . . . ?
Fe2 C1_1 C2_1 C12 28.9(13) . . . . ?
Fe2 C1_1 C2_1 C3_1 68.8(5) . . . . ?
Fe2 C1_1 C2_1 Fe3_1 9.3(5) . . . . ?
Fe2 C1_1 C5_1 C7 -128(7) . . . . ?
Fe2 C1_1 C5_1 C8 103.2(13) . . . . ?
Fe2 C1_1 C5_1 C9 97(2) . . . . ?
Fe2 C1_1 C5_1 C10 -80.6(11) . . . . ?
Fe2 C1_1 C5_1 C11 -84.8(9) . . . . ?
Fe2 C1_1 C5_1 C4_1 -95.1(6) . . . . ?
Fe2 C1_1 C5_1 Fe3_1 -34.9(6) . . . . ?
Fe2 C1_1 C6_1 C7 126(3) . . . . ?
Fe2 C1_1 C6_1 C8 -85.5(11) . . . . ?
Fe2 C2_1 C3_1 C10 31.8(5) . . . . ?
Fe2 C2_1 C3_1 C11 15.6(17) . . . . ?
Fe2 C2_1 C3_1 C12 -106.6(11) . . . . ?
Fe2 C2_1 C3_1 C4_1 40.7(4) . . . . ?
Fe2 C2_1 C3_1 Fe3_1 -18.4(3) . . . . ?
Fe2 C4_1 C5_1 C7 71.0(7) . . . . ?
Fe2 C4_1 C5_1 C8 94.9(16) . . . . ?
Fe2 C4_1 C5_1 C9 -122(2) . . . . ?
Fe2 C4_1 C5_1 C10 -22(5) . . . . ?
Fe2 C4_1 C5_1 C11 58.4(6) . . . . ?
Fe2 C4_1 C5_1 C1_1 68.0(5) . . . . ?
Fe2 C4_1 C5_1 Fe3_1 8.7(5) . . . . ?
Fe2 C31_1 C32_1 C2 -124(2) . . . . ?
Fe2 C31_1 C32_1 C3 78.3(12) . . . . ?
Fe2 C31_1 C32_1 C4 72.2(7) . . . . ?
Fe2 C31_1 C32_1 C5 70.8(8) . . . . ?
Fe2 C31_1 C32_1 C6 -120(4) . . . . ?
Fe2 C31_1 C32_1 C33_1 -107.9(5) . . . . ?
Fe2 C31_1 C32_1 C36_1 72.4(5) . . . . ?
Fe2 C31_1 C32_1 Fe3_1 -17.2(5) . . . . ?
Fe2 C32_1 C33_1 C1 148(7) . . . . ?
Fe2 C32_1 C33_1 C2 99(3) . . . . ?
Fe2 C32_1 C33_1 C3 76.5(8) . . . . ?
Fe2 C32_1 C33_1 C6 -110.7(16) . . . . ?
Fe2 C32_1 C33_1 C34_1 73.0(6) . . . . ?
Fe2 C32_1 C33_1 Fe3_1 13.8(6) . . . . ?
Fe2 C32_1 C36_1 C2 -103.7(14) . . . . ?
Fe2 C32_1 C36_1 C3 -102.5(18) . . . . ?
Fe2 C32_1 C36_1 C4 85.2(13) . . . . ?
Fe2 C32_1 C36_1 C5 84.4(8) . . . . ?
Fe2 C32_1 C36_1 C35_1 -95.4(6) . . . . ?
Fe2 C32_1 C36_1 Fe3_1 -34.6(6) . . . . ?
Fe2 C33_1 C34_1 C1 -154(2) . . . . ?
Fe2 C33_1 C34_1 C2 52.2(11) . . . . ?
Fe2 C33_1 C34_1 C3 44.8(4) . . . . ?
Fe2 C33_1 C34_1 C35_1 43.1(3) . . . . ?
Fe2 C33_1 C34_1 Fe3_1 -16.8(3) . . . . ?
C1 C1 C33_1 Fe2 -82(7) 6_766 . . . ?
C1 C1 C33_1 C2 174.8(13) 6_766 . . . ?
C1 C1 C33_1 C3 -156(3) 6_766 . . . ?
C1 C1 C33_1 C6 77(7) 6_766 . . . ?
C1 C1 C33_1 C32_1 143(4) 6_766 . . . ?
C1 C1 C33_1 C34_1 -137(5) 6_766 . . . ?
C1 C1 C33_1 Fe3_1 -89(5) 6_766 . . . ?
C1 C1 C34_1 C2 -178.6(5) 6_766 . . . ?
C1 C1 C34_1 C3 -173.1(7) 6_766 . . . ?
C1 C1 C34_1 C33_1 167.0(18) 6_766 . . . ?
C1 C1 C34_1 C35_1 -167.7(10) 6_766 . . . ?
C1 C1 C34_1 Fe3_1 127.9(5) 6_766 . . . ?
C1 C2 C3 Fe2 118.5(3) . . . . ?
C1 C2 C3 C4 178.9(3) . . . . ?
C1 C2 C3 C32_1 173.0(11) . . . . ?
C1 C2 C3 C33_1 20(2) . . . . ?
C1 C2 C3 C34_1 6.7(8) . . . . ?
C1 C2 C3 C35_1 5.6(14) . . . . ?
C1 C2 C3 C36_1 174.2(15) . . . . ?
C1 C2 C3 Fe3_1 84.1(6) . . . . ?
C1 C2 C6 Fe2 -118.6(3) . . . . ?
C1 C2 C6 C5 -178.7(3) . . . . ?
C1 C2 C6 C32_1 -166(2) . . . . ?
C1 C2 C6 C33_1 -13.5(14) . . . . ?
C1 C2 C32_1 Fe2 -98(2) . . . . ?
C1 C2 C32_1 C3 -168.3(18) . . . . ?
C1 C2 C32_1 C4 -173.1(11) . . . . ?
C1 C2 C32_1 C5 167(3) . . . . ?
C1 C2 C32_1 C6 23(4) . . . . ?
C1 C2 C32_1 C31_1 24(3) . . . . ?
C1 C2 C32_1 C33_1 -12.9(13) . . . . ?
C1 C2 C32_1 C36_1 -168.7(19) . . . . ?
C1 C2 C32_1 Fe3_1 -100(2) . . . . ?
C1 C2 C33_1 Fe2 -140(4) . . . . ?
C1 C2 C33_1 C3 -58(5) . . . . ?
C1 C2 C33_1 C6 145(4) . . . . ?
C1 C2 C33_1 C32_1 160(2) . . . . ?
C1 C2 C33_1 C34_1 -44(5) . . . . ?
C1 C2 C33_1 Fe3_1 -115(4) . . . . ?
C1 C2 C34_1 C3 -173.3(8) . . . . ?
C1 C2 C34_1 C33_1 16.2(17) . . . . ?
C1 C2 C34_1 C35_1 -172.6(7) . . . . ?
C1 C2 C34_1 Fe3_1 114.6(6) . . . . ?
C1 C2 C36_1 Fe2 106.8(9) . . . . ?
C1 C2 C36_1 C3 -9(2) . . . . ?
C1 C2 C36_1 C4 -177.9(12) . . . . ?
C1 C2 C36_1 C5 176.6(6) . . . . ?
C1 C2 C36_1 C32_1 170.0(17) . . . . ?
C1 C2 C36_1 C35_1 -1.9(8) . . . . ?
C1 C2 C36_1 Fe3_1 73.1(9) . . . . ?
C1 C33_1 C34_1 C2 -153(3) . . . . ?
C1 C33_1 C34_1 C3 -161(2) . . . . ?
C1 C33_1 C34_1 C35_1 -162.5(18) . . . . ?
C1 C33_1 C34_1 Fe3_1 137.6(18) . . . . ?
C1 C34_1 C35_1 C2 -9.4(9) . . . . ?
C1 C34_1 C35_1 C3 -10.4(13) . . . . ?
C1 C34_1 C35_1 C36_1 -15.7(14) . . . . ?
C1 C34_1 C35_1 Fe3_1 -73.0(14) . . . . ?
C2 Fe2 C1_1 C8 155.4(8) . . . . ?
C2 Fe2 C1_1 C9 110.6(14) . . . . ?
C2 Fe2 C1_1 C10 64.0(17) . . . . ?
C2 Fe2 C1_1 C11 18(2) . . . . ?
C2 Fe2 C1_1 C2_1 -9.0(16) . . . . ?
C2 Fe2 C1_1 C5_1 96.6(16) . . . . ?
C2 Fe2 C1_1 C6_1 -139.8(15) . . . . ?
C2 Fe2 C1_1 Fe3_1 7.5(11) . . . . ?
C2 Fe2 C5_1 C7 -142.0(4) . . . . ?
C2 Fe2 C5_1 C8 168.0(4) . . . . ?
C2 Fe2 C5_1 C9 85(3) . . . . ?
C2 Fe2 C5_1 C10 -37.3(18) . . . . ?
C2 Fe2 C5_1 C11 -91.7(8) . . . . ?
C2 Fe2 C5_1 C1_1 -146.6(9) . . . . ?
C2 Fe2 C5_1 C4_1 -42.3(8) . . . . ?
C2 Fe2 C5_1 Fe3_1 -57.8(8) . . . . ?
C2 Fe2 C32_1 C3 61.1(14) . . . . ?
C2 Fe2 C32_1 C4 111.3(18) . . . . ?
C2 Fe2 C32_1 C5 161(2) . . . . ?
C2 Fe2 C32_1 C6 -134(3) . . . . ?
C2 Fe2 C32_1 C31_1 -150.9(16) . . . . ?
C2 Fe2 C32_1 C33_1 -21.9(15) . . . . ?
C2 Fe2 C32_1 C36_1 83.4(16) . . . . ?
C2 Fe2 C32_1 Fe3_1 3(2) . . . . ?
C2 Fe2 C36_1 C3 52.7(19) . . . . ?
C2 Fe2 C36_1 C4 -135.9(19) . . . . ?
C2 Fe2 C36_1 C5 -91.0(7) . . . . ?
C2 Fe2 C36_1 C32_1 -31.4(9) . . . . ?
C2 Fe2 C36_1 C35_1 72.4(6) . . . . ?
C2 Fe2 C36_1 Fe3_1 65.7(11) . . . . ?
C2 Fe2 Fe3_1 C3 -44.6(3) . . . . ?
C2 Fe2 Fe3_1 C10 123.4(8) . . . . ?
C2 Fe2 Fe3_1 C11 173.6(12) . . . . ?
C2 Fe2 Fe3_1 C1_1 -176.6(5) . . . . ?
C2 Fe2 Fe3_1 C2_1 -165.2(6) . . . . ?
C2 Fe2 Fe3_1 C5_1 135.4(6) . . . . ?
C2 Fe2 Fe3_1 C32_1 -1.2(10) . . . . ?
C2 Fe2 Fe3_1 C33_1 15.7(5) . . . . ?
C2 Fe2 Fe3_1 C34_1 -14.5(6) . . . . ?
C2 Fe2 Fe3_1 C36_1 -48.6(8) . . . . ?
C2 C1 C33_1 Fe2 103(7) . . . . ?
C2 C1 C33_1 C3 29(3) . . . . ?
C2 C1 C33_1 C6 -98(7) . . . . ?
C2 C1 C33_1 C32_1 -32(4) . . . . ?
C2 C1 C33_1 C34_1 48(5) . . . . ?
C2 C1 C33_1 Fe3_1 96(5) . . . . ?
C2 C1 C34_1 C3 5.5(6) . . . . ?
C2 C1 C34_1 C33_1 -14.4(16) . . . . ?
C2 C1 C34_1 C35_1 10.9(10) . . . . ?
C2 C1 C34_1 Fe3_1 -53.5(3) . . . . ?
C2 C3 C4 Fe2 -59.8(2) . . . . ?
C2 C3 C4 C5 -0.9(4) . . . . ?
C2 C3 C4 C32_1 -3.3(6) . . . . ?
C2 C3 C4 C36_1 -30(11) . . . . ?
C2 C3 C32_1 Fe2 -109.9(12) . . . . ?
C2 C3 C32_1 C4 174.1(10) . . . . ?
C2 C3 C32_1 C5 172.0(15) . . . . ?
C2 C3 C32_1 C6 144(7) . . . . ?
C2 C3 C32_1 C31_1 166.1(17) . . . . ?
C2 C3 C32_1 C33_1 -8.9(11) . . . . ?
C2 C3 C32_1 C36_1 178.7(12) . . . . ?
C2 C3 C32_1 Fe3_1 -78.8(10) . . . . ?
C2 C3 C34_1 C1 -6.1(7) . . . . ?
C2 C3 C34_1 C33_1 4.5(6) . . . . ?
C2 C3 C34_1 C35_1 -178.7(10) . . . . ?
C2 C3 C34_1 Fe3_1 77.2(6) . . . . ?
C2 C3 C35_1 C34_1 1.2(9) . . . . ?
C2 C3 C35_1 C36_1 159(5) . . . . ?
C2 C3 C35_1 Fe3_1 65.3(6) . . . . ?
C2 C3 C36_1 Fe2 -60.8(13) . . . . ?
C2 C3 C36_1 C4 151(11) . . . . ?
C2 C3 C36_1 C5 9(3) . . . . ?
C2 C3 C36_1 C32_1 -0.7(6) . . . . ?
C2 C3 C36_1 C35_1 -160(4) . . . . ?
C2 C3 C36_1 Fe3_1 -68.2(6) . . . . ?
C2 C6 C32_1 Fe2 119(3) . . . . ?
C2 C6 C32_1 C3 -139(8) . . . . ?
C2 C6 C32_1 C4 -164(3) . . . . ?
C2 C6 C32_1 C5 -168(2) . . . . ?
C2 C6 C32_1 C31_1 -177(2) . . . . ?
C2 C6 C32_1 C33_1 13(2) . . . . ?
C2 C6 C32_1 C36_1 -160(4) . . . . ?
C2 C6 C32_1 Fe3_1 92(3) . . . . ?
C2 C6 C33_1 Fe2 -68.4(13) . . . . ?
C2 C6 C33_1 C1 125(6) . . . . ?
C2 C6 C33_1 C3 -10.8(10) . . . . ?
C2 C6 C33_1 C32_1 -17(2) . . . . ?
C2 C6 C33_1 C34_1 -11.8(11) . . . . ?
C2 C6 C33_1 Fe3_1 -67.2(13) . . . . ?
C2 C32_1 C33_1 Fe2 -99(3) . . . . ?
C2 C32_1 C33_1 C1 49(6) . . . . ?
C2 C32_1 C33_1 C3 -22(3) . . . . ?
C2 C32_1 C33_1 C6 150(4) . . . . ?
C2 C32_1 C33_1 C34_1 -26(3) . . . . ?
C2 C32_1 C33_1 Fe3_1 -85(3) . . . . ?
C2 C32_1 C36_1 Fe2 103.7(14) . . . . ?
C2 C32_1 C36_1 C3 1.2(11) . . . . ?
C2 C32_1 C36_1 C4 -171(2) . . . . ?
C2 C32_1 C36_1 C5 -171.9(15) . . . . ?
C2 C32_1 C36_1 C35_1 8.3(11) . . . . ?
C2 C32_1 C36_1 Fe3_1 69.1(11) . . . . ?
C2 C33_1 C34_1 C1 153(3) . . . . ?
C2 C33_1 C34_1 C3 -7.4(9) . . . . ?
C2 C33_1 C34_1 C35_1 -9.1(12) . . . . ?
C2 C33_1 C34_1 Fe3_1 -69.0(12) . . . . ?
C2 C34_1 C35_1 C3 -1.0(8) . . . . ?
C2 C34_1 C35_1 C36_1 -6.3(6) . . . . ?
C2 C34_1 C35_1 Fe3_1 -63.6(6) . . . . ?
C2 C35_1 C36_1 Fe2 -67.5(6) . . . . ?
C2 C35_1 C36_1 C3 18(4) . . . . ?
C2 C35_1 C36_1 C4 175(2) . . . . ?
C2 C35_1 C36_1 C5 -5.0(14) . . . . ?
C2 C35_1 C36_1 C32_1 -4.3(6) . . . . ?
C2 C35_1 C36_1 Fe3_1 -63.7(6) . . . . ?
C3 Fe2 C1_1 C8 -152.6(7) . . . . ?
C3 Fe2 C1_1 C9 162.6(2) . . . . ?
C3 Fe2 C1_1 C10 116.0(5) . . . . ?
C3 Fe2 C1_1 C11 70.0(10) . . . . ?
C3 Fe2 C1_1 C2_1 43.0(7) . . . . ?
C3 Fe2 C1_1 C5_1 148.5(8) . . . . ?
C3 Fe2 C1_1 C6_1 -87.9(6) . . . . ?
C3 Fe2 C1_1 Fe3_1 59.5(9) . . . . ?
C3 Fe2 C5_1 C7 -84.2(17) . . . . ?
C3 Fe2 C5_1 C8 -134.2(11) . . . . ?
C3 Fe2 C5_1 C9 142.5(17) . . . . ?
C3 Fe2 C5_1 C10 21(3) . . . . ?
C3 Fe2 C5_1 C11 -34(2) . . . . ?
C3 Fe2 C5_1 C1_1 -88.8(17) . . . . ?
C3 Fe2 C5_1 C4_1 15.5(18) . . . . ?
C3 Fe2 C5_1 Fe3_1 0.0(12) . . . . ?
C3 Fe2 C32_1 C2 -61.1(14) . . . . ?
C3 Fe2 C32_1 C4 50.3(5) . . . . ?
C3 Fe2 C32_1 C5 99.7(9) . . . . ?
C3 Fe2 C32_1 C6 165(2) . . . . ?
C3 Fe2 C32_1 C31_1 148.0(7) . . . . ?
C3 Fe2 C32_1 C33_1 -83.0(7) . . . . ?
C3 Fe2 C32_1 C36_1 22.3(8) . . . . ?
C3 Fe2 C32_1 Fe3_1 -58.3(12) . . . . ?
C3 Fe2 C36_1 C2 -52.7(19) . . . . ?
C3 Fe2 C36_1 C4 171(4) . . . . ?
C3 Fe2 C36_1 C5 -144(3) . . . . ?
C3 Fe2 C36_1 C32_1 -84(2) . . . . ?
C3 Fe2 C36_1 C35_1 20(2) . . . . ?
C3 Fe2 C36_1 Fe3_1 13(3) . . . . ?
C3 Fe2 Fe3_1 C2 44.6(3) . . . . ?
C3 Fe2 Fe3_1 C10 168.0(9) . . . . ?
C3 Fe2 Fe3_1 C11 -141.8(12) . . . . ?
C3 Fe2 Fe3_1 C1_1 -132.0(6) . . . . ?
C3 Fe2 Fe3_1 C2_1 -120.6(6) . . . . ?
C3 Fe2 Fe3_1 C5_1 180.0(6) . . . . ?
C3 Fe2 Fe3_1 C32_1 43.4(9) . . . . ?
C3 Fe2 Fe3_1 C33_1 60.3(6) . . . . ?
C3 Fe2 Fe3_1 C34_1 30.1(6) . . . . ?
C3 Fe2 Fe3_1 C36_1 -4.0(9) . . . . ?
C3 C2 C6 Fe2 59.3(2) . . . . ?
C3 C2 C6 C5 -0.8(4) . . . . ?
C3 C2 C6 C32_1 12(2) . . . . ?
C3 C2 C6 C33_1 164.4(15) . . . . ?
C3 C2 C32_1 Fe2 70.0(10) . . . . ?
C3 C2 C32_1 C4 -4.8(9) . . . . ?
C3 C2 C32_1 C5 -25(5) . . . . ?
C3 C2 C32_1 C6 -169(2) . . . . ?
C3 C2 C32_1 C31_1 -167.3(16) . . . . ?
C3 C2 C32_1 C33_1 155(3) . . . . ?
C3 C2 C32_1 C36_1 -0.5(5) . . . . ?
C3 C2 C32_1 Fe3_1 68.4(5) . . . . ?
C3 C2 C33_1 Fe2 -82.0(15) . . . . ?
C3 C2 C33_1 C1 58(5) . . . . ?
C3 C2 C33_1 C6 -158(2) . . . . ?
C3 C2 C33_1 C32_1 -142(4) . . . . ?
C3 C2 C33_1 C34_1 13.4(17) . . . . ?
C3 C2 C33_1 Fe3_1 -56.8(15) . . . . ?
C3 C2 C34_1 C1 173.3(8) . . . . ?
C3 C2 C34_1 C33_1 -170.6(11) . . . . ?
C3 C2 C34_1 C35_1 0.6(5) . . . . ?
C3 C2 C34_1 Fe3_1 -72.1(5) . . . . ?
C3 C2 C36_1 Fe2 115.4(17) . . . . ?
C3 C2 C36_1 C4 -169(3) . . . . ?
C3 C2 C36_1 C5 -174.8(19) . . . . ?
C3 C2 C36_1 C32_1 178.6(13) . . . . ?
C3 C2 C36_1 C35_1 6.7(17) . . . . ?
C3 C2 C36_1 Fe3_1 81.7(16) . . . . ?
C3 C4 C5 Fe2 -58.2(2) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C3 C4 C5 C31_1 0.0(13) . . . . ?
C3 C4 C5 C32_1 -2.5(6) . . . . ?
C3 C4 C5 C36_1 -3.3(11) . . . . ?
C3 C4 C32_1 Fe2 -89.6(6) . . . . ?
C3 C4 C32_1 C2 5.8(10) . . . . ?
C3 C4 C32_1 C5 177.2(7) . . . . ?
C3 C4 C32_1 C6 171.5(18) . . . . ?
C3 C4 C32_1 C31_1 175.7(5) . . . . ?
C3 C4 C32_1 C33_1 -4.2(6) . . . . ?
C3 C4 C32_1 C36_1 -3.9(13) . . . . ?
C3 C4 C32_1 Fe3_1 -58.7(5) . . . . ?
C3 C4 C36_1 Fe2 -148(12) . . . . ?
C3 C4 C36_1 C2 145(13) . . . . ?
C3 C4 C36_1 C5 152(11) . . . . ?
C3 C4 C36_1 C32_1 151(12) . . . . ?
C3 C4 C36_1 C35_1 -28(10) . . . . ?
C3 C4 C36_1 Fe3_1 -135(12) . . . . ?
C3 C32_1 C33_1 Fe2 -76.5(8) . . . . ?
C3 C32_1 C33_1 C1 71(7) . . . . ?
C3 C32_1 C33_1 C2 22(3) . . . . ?
C3 C32_1 C33_1 C6 172.8(17) . . . . ?
C3 C32_1 C33_1 C34_1 -3.4(6) . . . . ?
C3 C32_1 C33_1 Fe3_1 -62.6(6) . . . . ?
C3 C32_1 C36_1 Fe2 102.5(18) . . . . ?
C3 C32_1 C36_1 C2 -1.2(11) . . . . ?
C3 C32_1 C36_1 C4 -172(3) . . . . ?
C3 C32_1 C36_1 C5 -173(2) . . . . ?
C3 C32_1 C36_1 C35_1 7.2(16) . . . . ?
C3 C32_1 C36_1 Fe3_1 67.9(16) . . . . ?
C3 C33_1 C34_1 C1 161(2) . . . . ?
C3 C33_1 C34_1 C2 7.4(9) . . . . ?
C3 C33_1 C34_1 C35_1 -1.7(5) . . . . ?
C3 C33_1 C34_1 Fe3_1 -61.5(5) . . . . ?
C3 C34_1 C35_1 C2 1.0(8) . . . . ?
C3 C34_1 C35_1 C36_1 -5.2(10) . . . . ?
C3 C34_1 C35_1 Fe3_1 -62.6(10) . . . . ?
C3 C35_1 C36_1 Fe2 -85(4) . . . . ?
C3 C35_1 C36_1 C2 -18(4) . . . . ?
C3 C35_1 C36_1 C4 157(6) . . . . ?
C3 C35_1 C36_1 C5 -23(4) . . . . ?
C3 C35_1 C36_1 C32_1 -22(4) . . . . ?
C3 C35_1 C36_1 Fe3_1 -81(4) . . . . ?
C4 C3 C32_1 Fe2 76.0(5) . . . . ?
C4 C3 C32_1 C2 -174.1(11) . . . . ?
C4 C3 C32_1 C5 -2.1(5) . . . . ?
C4 C3 C32_1 C6 -30(6) . . . . ?
C4 C3 C32_1 C31_1 -8.0(10) . . . . ?
C4 C3 C32_1 C33_1 177.0(4) . . . . ?
C4 C3 C32_1 C36_1 4.6(16) . . . . ?
C4 C3 C32_1 Fe3_1 107.1(4) . . . . ?
C4 C3 C34_1 C1 -33(3) . . . . ?
C4 C3 C34_1 C2 -27(3) . . . . ?
C4 C3 C34_1 C33_1 -22(3) . . . . ?
C4 C3 C34_1 C35_1 154(4) . . . . ?
C4 C3 C34_1 Fe3_1 50(3) . . . . ?
C4 C3 C35_1 C2 -170(2) . . . . ?
C4 C3 C35_1 C34_1 -168.8(14) . . . . ?
C4 C3 C35_1 C36_1 -11(3) . . . . ?
C4 C3 C35_1 Fe3_1 -104.6(17) . . . . ?
C4 C3 C36_1 Fe2 148(12) . . . . ?
C4 C3 C36_1 C2 -151(11) . . . . ?
C4 C3 C36_1 C5 -143(13) . . . . ?
C4 C3 C36_1 C32_1 -152(11) . . . . ?
C4 C3 C36_1 C35_1 49(14) . . . . ?
C4 C3 C36_1 Fe3_1 140(11) . . . . ?
C4 C5 C6 Fe2 -59.2(2) . . . . ?
C4 C5 C6 C2 0.3(4) . . . . ?
C4 C5 C6 C30_1 178.7(8) . . . . ?
C4 C5 C6 C31_1 -179.5(16) . . . . ?
C4 C5 C6 C32_1 -5.5(12) . . . . ?
C4 C5 C6 C33_1 -6.8(9) . . . . ?
C4 C5 C31_1 Fe2 -53.2(10) . . . . ?
C4 C5 C31_1 C6 1(2) . . . . ?
C4 C5 C31_1 C30_1 177.8(9) . . . . ?
C4 C5 C31_1 C32_1 -2.7(9) . . . . ?
C4 C5 C32_1 Fe2 -73.8(6) . . . . ?
C4 C5 C32_1 C2 25(5) . . . . ?
C4 C5 C32_1 C3 2.1(5) . . . . ?
C4 C5 C32_1 C6 174.6(12) . . . . ?
C4 C5 C32_1 C31_1 178.2(6) . . . . ?
C4 C5 C32_1 C36_1 -0.5(5) . . . . ?
C4 C5 C32_1 Fe3_1 -61.4(6) . . . . ?
C4 C5 C36_1 Fe2 -112.8(13) . . . . ?
C4 C5 C36_1 C2 174.8(15) . . . . ?
C4 C5 C36_1 C3 167(4) . . . . ?
C4 C5 C36_1 C32_1 178.9(10) . . . . ?
C4 C5 C36_1 C35_1 180(100) . . . . ?
C4 C5 C36_1 Fe3_1 -125.2(13) . . . . ?
C4 C32_1 C33_1 Fe2 -73.3(9) . . . . ?
C4 C32_1 C33_1 C1 74(7) . . . . ?
C4 C32_1 C33_1 C2 26(3) . . . . ?
C4 C32_1 C33_1 C3 3.2(4) . . . . ?
C4 C32_1 C33_1 C6 176.0(18) . . . . ?
C4 C32_1 C33_1 C34_1 -0.3(7) . . . . ?
C4 C32_1 C33_1 Fe3_1 -59.5(7) . . . . ?
C4 C32_1 C36_1 Fe2 -85.2(13) . . . . ?
C4 C32_1 C36_1 C2 171(2) . . . . ?
C4 C32_1 C36_1 C3 172(3) . . . . ?
C4 C32_1 C36_1 C5 -0.8(8) . . . . ?
C4 C32_1 C36_1 C35_1 179.4(12) . . . . ?
C4 C32_1 C36_1 Fe3_1 -119.8(12) . . . . ?
C5 C4 C32_1 Fe2 93.2(6) . . . . ?
C5 C4 C32_1 C2 -171.3(16) . . . . ?
C5 C4 C32_1 C3 -177.2(7) . . . . ?
C5 C4 C32_1 C6 -5.7(12) . . . . ?
C5 C4 C32_1 C31_1 -1.4(5) . . . . ?
C5 C4 C32_1 C33_1 178.6(8) . . . . ?
C5 C4 C32_1 C36_1 178.9(10) . . . . ?
C5 C4 C32_1 Fe3_1 124.1(5) . . . . ?
C5 C4 C36_1 Fe2 59.6(9) . . . . ?
C5 C4 C36_1 C2 -7(2) . . . . ?
C5 C4 C36_1 C3 -152(11) . . . . ?
C5 C4 C36_1 C32_1 -0.9(9) . . . . ?
C5 C4 C36_1 C35_1 -179.9(14) . . . . ?
C5 C4 C36_1 Fe3_1 73.0(14) . . . . ?
C5 C6 C31_1 Fe2 57.5(11) . . . . ?
C5 C6 C31_1 C30_1 -172(4) . . . . ?
C5 C6 C31_1 C32_1 10(4) . . . . ?
C5 C6 C32_1 Fe2 -72.5(10) . . . . ?
C5 C6 C32_1 C2 168(2) . . . . ?
C5 C6 C32_1 C3 29(6) . . . . ?
C5 C6 C32_1 C4 4.6(10) . . . . ?
C5 C6 C32_1 C31_1 -9(4) . . . . ?
C5 C6 C32_1 C33_1 -178.7(6) . . . . ?
C5 C6 C32_1 C36_1 8.1(19) . . . . ?
C5 C6 C32_1 Fe3_1 -100.2(13) . . . . ?
C5 C6 C33_1 Fe2 -50.2(7) . . . . ?
C5 C6 C33_1 C1 143(5) . . . . ?
C5 C6 C33_1 C2 18.2(18) . . . . ?
C5 C6 C33_1 C3 7.3(9) . . . . ?
C5 C6 C33_1 C32_1 1.6(8) . . . . ?
C5 C6 C33_1 C34_1 6.4(13) . . . . ?
C5 C6 C33_1 Fe3_1 -49.0(8) . . . . ?
C5 C31_1 C32_1 Fe2 -70.8(8) . . . . ?
C5 C31_1 C32_1 C2 165(3) . . . . ?
C5 C31_1 C32_1 C3 7.5(10) . . . . ?
C5 C31_1 C32_1 C4 1.4(5) . . . . ?
C5 C31_1 C32_1 C6 169(5) . . . . ?
C5 C31_1 C32_1 C33_1 -178.7(8) . . . . ?
C5 C31_1 C32_1 C36_1 1.6(8) . . . . ?
C5 C31_1 C32_1 Fe3_1 -88.0(8) . . . . ?
C5 C32_1 C36_1 Fe2 -84.4(8) . . . . ?
C5 C32_1 C36_1 C2 171.9(15) . . . . ?
C5 C32_1 C36_1 C3 173(2) . . . . ?
C5 C32_1 C36_1 C4 0.8(8) . . . . ?
C5 C32_1 C36_1 C35_1 -179.7(6) . . . . ?
C5 C32_1 C36_1 Fe3_1 -119.0(6) . . . . ?
C6 Fe2 C1_1 C8 3(3) . . . . ?
C6 Fe2 C1_1 C9 -42(2) . . . . ?
C6 Fe2 C1_1 C10 -88(2) . . . . ?
C6 Fe2 C1_1 C11 -134.0(17) . . . . ?
C6 Fe2 C1_1 C2_1 -161(2) . . . . ?
C6 Fe2 C1_1 C5_1 -56(2) . . . . ?
C6 Fe2 C1_1 C6_1 68(2) . . . . ?
C6 Fe2 C1_1 Fe3_1 -145(3) . . . . ?
C6 Fe2 C5_1 C7 168.2(2) . . . . ?
C6 Fe2 C5_1 C8 118.2(8) . . . . ?
C6 Fe2 C5_1 C9 35(3) . . . . ?
C6 Fe2 C5_1 C10 -87.1(14) . . . . ?
C6 Fe2 C5_1 C11 -141.5(4) . . . . ?
C6 Fe2 C5_1 C1_1 163.5(7) . . . . ?
C6 Fe2 C5_1 C4_1 -92.2(6) . . . . ?
C6 Fe2 C5_1 Fe3_1 -107.7(10) . . . . ?
C6 Fe2 C32_1 C2 134(3) . . . . ?
C6 Fe2 C32_1 C3 -165(2) . . . . ?
C6 Fe2 C32_1 C4 -114.4(19) . . . . ?
C6 Fe2 C32_1 C5 -64.9(16) . . . . ?
C6 Fe2 C32_1 C31_1 -16.6(17) . . . . ?
C6 Fe2 C32_1 C33_1 112.4(17) . . . . ?
C6 Fe2 C32_1 C36_1 -142.3(16) . . . . ?
C6 Fe2 C32_1 Fe3_1 137.0(15) . . . . ?
C6 Fe2 C36_1 C2 45.4(4) . . . . ?
C6 Fe2 C36_1 C3 98(2) . . . . ?
C6 Fe2 C36_1 C4 -90.5(15) . . . . ?
C6 Fe2 C36_1 C5 -45.6(4) . . . . ?
C6 Fe2 C36_1 C32_1 14.0(7) . . . . ?
C6 Fe2 C36_1 C35_1 117.8(5) . . . . ?
C6 Fe2 C36_1 Fe3_1 111.1(8) . . . . ?
C6 Fe2 Fe3_1 C2 -13.7(6) . . . . ?
C6 Fe2 Fe3_1 C3 -58.3(6) . . . . ?
C6 Fe2 Fe3_1 C10 109.7(5) . . . . ?
C6 Fe2 Fe3_1 C11 160.0(6) . . . . ?
C6 Fe2 Fe3_1 C1_1 169.8(9) . . . . ?
C6 Fe2 Fe3_1 C2_1 -178.9(5) . . . . ?
C6 Fe2 Fe3_1 C5_1 121.7(8) . . . . ?
C6 Fe2 Fe3_1 C32_1 -14.8(6) . . . . ?
C6 Fe2 Fe3_1 C33_1 2.0(6) . . . . ?
C6 Fe2 Fe3_1 C34_1 -28.1(9) . . . . ?
C6 Fe2 Fe3_1 C36_1 -62.2(6) . . . . ?
C6 C2 C3 Fe2 -59.5(2) . . . . ?
C6 C2 C3 C4 1.0(4) . . . . ?
C6 C2 C3 C32_1 -5.0(10) . . . . ?
C6 C2 C3 C33_1 -158(2) . . . . ?
C6 C2 C3 C34_1 -171.2(8) . . . . ?
C6 C2 C3 C35_1 -172.3(13) . . . . ?
C6 C2 C3 C36_1 -3.8(16) . . . . ?
C6 C2 C3 Fe3_1 -93.8(6) . . . . ?
C6 C2 C32_1 Fe2 -121(3) . . . . ?
C6 C2 C32_1 C3 169(2) . . . . ?
C6 C2 C32_1 C4 164(3) . . . . ?
C6 C2 C32_1 C5 144(6) . . . . ?
C6 C2 C32_1 C31_1 1.7(11) . . . . ?
C6 C2 C32_1 C33_1 -36(5) . . . . ?
C6 C2 C32_1 C36_1 168(2) . . . . ?
C6 C2 C32_1 Fe3_1 -123(2) . . . . ?
C6 C2 C33_1 Fe2 75.6(9) . . . . ?
C6 C2 C33_1 C1 -145(4) . . . . ?
C6 C2 C33_1 C3 158(2) . . . . ?
C6 C2 C33_1 C32_1 16(2) . . . . ?
C6 C2 C33_1 C34_1 171.1(8) . . . . ?
C6 C2 C33_1 Fe3_1 100.8(9) . . . . ?
C6 C2 C36_1 Fe2 -68.2(5) . . . . ?
C6 C2 C36_1 C3 176.4(15) . . . . ?
C6 C2 C36_1 C4 7.1(19) . . . . ?
C6 C2 C36_1 C5 1.6(5) . . . . ?
C6 C2 C36_1 C32_1 -5.0(10) . . . . ?
C6 C2 C36_1 C35_1 -176.9(4) . . . . ?
C6 C2 C36_1 Fe3_1 -101.8(5) . . . . ?
C6 C5 C31_1 Fe2 -53.9(14) . . . . ?
C6 C5 C31_1 C30_1 177.1(15) . . . . ?
C6 C5 C31_1 C32_1 -3.4(15) . . . . ?
C6 C5 C32_1 Fe2 111.6(14) . . . . ?
C6 C5 C32_1 C2 -150(6) . . . . ?
C6 C5 C32_1 C3 -172.5(16) . . . . ?
C6 C5 C32_1 C4 -174.6(12) . . . . ?
C6 C5 C32_1 C31_1 3.6(16) . . . . ?
C6 C5 C32_1 C36_1 -175.1(12) . . . . ?
C6 C5 C32_1 Fe3_1 124.0(14) . . . . ?
C6 C5 C36_1 Fe2 70.7(4) . . . . ?
C6 C5 C36_1 C2 -1.6(5) . . . . ?
C6 C5 C36_1 C3 -9(3) . . . . ?
C6 C5 C36_1 C4 -176.5(11) . . . . ?
C6 C5 C36_1 C32_1 2.5(6) . . . . ?
C6 C5 C36_1 C35_1 3.3(17) . . . . ?
C6 C5 C36_1 Fe3_1 58.3(5) . . . . ?
C6 C30_1 C31_1 Fe2 118(4) . . . . ?
C6 C30_1 C31_1 C5 -171(5) . . . . ?
C6 C31_1 C32_1 Fe2 120(4) . . . . ?
C6 C31_1 C32_1 C2 -4(3) . . . . ?
C6 C31_1 C32_1 C3 -162(5) . . . . ?
C6 C31_1 C32_1 C4 -168(4) . . . . ?
C6 C31_1 C32_1 C5 -169(5) . . . . ?
C6 C31_1 C32_1 C33_1 12(4) . . . . ?
C6 C31_1 C32_1 C36_1 -168(4) . . . . ?
C6 C31_1 C32_1 Fe3_1 103(4) . . . . ?
C6 C32_1 C33_1 Fe2 110.7(16) . . . . ?
C6 C32_1 C33_1 C1 -102(7) . . . . ?
C6 C32_1 C33_1 C2 -150(4) . . . . ?
C6 C32_1 C33_1 C3 -172.8(17) . . . . ?
C6 C32_1 C33_1 C34_1 -176.2(14) . . . . ?
C6 C32_1 C33_1 Fe3_1 124.6(14) . . . . ?
C6 C32_1 C36_1 Fe2 -92(2) . . . . ?
C6 C32_1 C36_1 C2 164(3) . . . . ?
C6 C32_1 C36_1 C3 165(3) . . . . ?
C6 C32_1 C36_1 C4 -7(2) . . . . ?
C6 C32_1 C36_1 C5 -7.8(18) . . . . ?
C6 C32_1 C36_1 C35_1 172(2) . . . . ?
C6 C32_1 C36_1 Fe3_1 -127(2) . . . . ?
C6 C33_1 C34_1 C1 162(2) . . . . ?
C6 C33_1 C34_1 C2 8.5(7) . . . . ?
C6 C33_1 C34_1 C3 1.1(7) . . . . ?
C6 C33_1 C34_1 C35_1 -0.6(7) . . . . ?
C6 C33_1 C34_1 Fe3_1 -60.4(7) . . . . ?
C7 Fe2 C1_1 C8 -145(5) . . . . ?
C7 Fe2 C1_1 C9 170(4) . . . . ?
C7 Fe2 C1_1 C10 124(4) . . . . ?
C7 Fe2 C1_1 C11 78(4) . . . . ?
C7 Fe2 C1_1 C2_1 51(4) . . . . ?
C7 Fe2 C1_1 C5_1 156(4) . . . . ?
C7 Fe2 C1_1 C6_1 -80(4) . . . . ?
C7 Fe2 C1_1 Fe3_1 67(4) . . . . ?
C7 Fe2 C5_1 C8 -50.0(7) . . . . ?
C7 Fe2 C5_1 C9 -133(3) . . . . ?
C7 Fe2 C5_1 C10 104.7(14) . . . . ?
C7 Fe2 C5_1 C11 50.3(5) . . . . ?
C7 Fe2 C5_1 C1_1 -4.7(7) . . . . ?
C7 Fe2 C5_1 C4_1 99.6(6) . . . . ?
C7 Fe2 C5_1 Fe3_1 84.1(10) . . . . ?
C7 Fe2 C32_1 C2 -72(3) . . . . ?
C7 Fe2 C32_1 C3 -11(3) . . . . ?
C7 Fe2 C32_1 C4 40(3) . . . . ?
C7 Fe2 C32_1 C5 89(3) . . . . ?
C7 Fe2 C32_1 C6 154.0(14) . . . . ?
C7 Fe2 C32_1 C31_1 137(2) . . . . ?
C7 Fe2 C32_1 C33_1 -94(2) . . . . ?
C7 Fe2 C32_1 C36_1 12(2) . . . . ?
C7 Fe2 C32_1 Fe3_1 -69(2) . . . . ?
C7 Fe2 C36_1 C2 -145.3(4) . . . . ?
C7 Fe2 C36_1 C3 -93(2) . . . . ?
C7 Fe2 C36_1 C4 78.8(16) . . . . ?
C7 Fe2 C36_1 C5 123.7(4) . . . . ?
C7 Fe2 C36_1 C32_1 -176.7(7) . . . . ?
C7 Fe2 C36_1 C35_1 -72.9(5) . . . . ?
C7 Fe2 C36_1 Fe3_1 -79.6(9) . . . . ?
C7 Fe2 Fe3_1 C2 167.6(5) . . . . ?
C7 Fe2 Fe3_1 C3 123.0(4) . . . . ?
C7 Fe2 Fe3_1 C10 -69.1(5) . . . . ?
C7 Fe2 Fe3_1 C11 -18.8(8) . . . . ?
C7 Fe2 Fe3_1 C1_1 -9.0(7) . . . . ?
C7 Fe2 Fe3_1 C2_1 2.3(5) . . . . ?
C7 Fe2 Fe3_1 C5_1 -57.1(7) . . . . ?
C7 Fe2 Fe3_1 C32_1 166.4(6) . . . . ?
C7 Fe2 Fe3_1 C33_1 -176.8(5) . . . . ?
C7 Fe2 Fe3_1 C34_1 153.1(8) . . . . ?
C7 Fe2 Fe3_1 C36_1 119.0(6) . . . . ?
C7 C8 C9 Fe2 58.3(2) . . . . ?
C7 C8 C9 C10 -0.3(4) . . . . ?
C7 C8 C9 C1_1 5.4(8) . . . . ?
C7 C8 C9 C4_1 -12.3(7) . . . . ?
C7 C8 C9 C5_1 0.9(16) . . . . ?
C7 C8 C9 Fe3_1 35.3(4) . . . . ?
C7 C8 C1_1 Fe2 142(4) . . . . ?
C7 C8 C1_1 C9 -157(4) . . . . ?
C7 C8 C1_1 C10 -153(4) . . . . ?
C7 C8 C1_1 C11 -144(5) . . . . ?
C7 C8 C1_1 C2_1 -92(4) . . . . ?
C7 C8 C1_1 C5_1 -155(4) . . . . ?
C7 C8 C1_1 C6_1 43(4) . . . . ?
C7 C8 C1_1 Fe3_1 161(5) . . . . ?
C7 C8 C5_1 Fe2 69.1(6) . . . . ?
C7 C8 C5_1 C9 -179.1(15) . . . . ?
C7 C8 C5_1 C10 -3(3) . . . . ?
C7 C8 C5_1 C11 -0.7(5) . . . . ?
C7 C8 C5_1 C1_1 5.6(7) . . . . ?
C7 C8 C5_1 C4_1 -31.0(11) . . . . ?
C7 C8 C5_1 Fe3_1 45.7(6) . . . . ?
C7 C8 C6_1 Fe2 -67.6(4) . . . . ?
C7 C8 C6_1 C1_1 -10.3(9) . . . . ?
C7 C8 C6_1 C7_1 171.1(9) . . . . ?
C7 C11 C12 C2_1 -15.4(14) . . . . ?
C7 C11 C12 C3_1 -143.7(15) . . . . ?
C7 C11 C12 Fe3_1 104.0(7) . . . . ?
C7 C11 C1_1 Fe2 -128(3) . . . . ?
C7 C11 C1_1 C8 154(4) . . . . ?
C7 C11 C1_1 C9 163(3) . . . . ?
C7 C11 C1_1 C10 167(2) . . . . ?
C7 C11 C1_1 C2_1 0(3) . . . . ?
C7 C11 C1_1 C5_1 164(2) . . . . ?
C7 C11 C1_1 C6_1 -42(2) . . . . ?
C7 C11 C1_1 Fe3_1 -121(2) . . . . ?
C7 C11 C2_1 Fe2 46.1(14) . . . . ?
C7 C11 C2_1 C12 165.5(13) . . . . ?
C7 C11 C2_1 C1_1 -0.1(12) . . . . ?
C7 C11 C2_1 C3_1 -154.7(12) . . . . ?
C7 C11 C2_1 Fe3_1 81(2) . . . . ?
C7 C11 C3_1 C10 -112(3) . . . . ?
C7 C11 C3_1 C12 99(3) . . . . ?
C7 C11 C3_1 C2_1 49.0(18) . . . . ?
C7 C11 C3_1 C4_1 -106(3) . . . . ?
C7 C11 C3_1 Fe3_1 179(4) . . . . ?
C7 C11 C4_1 Fe2 -64.9(5) . . . . ?
C7 C11 C4_1 C9 -18.1(10) . . . . ?
C7 C11 C4_1 C3_1 148.1(13) . . . . ?
C7 C11 C4_1 C5_1 -18.2(5) . . . . ?
C7 C11 C4_1 Fe3_1 -96.6(8) . . . . ?
C7 C11 C5_1 Fe2 -78.7(5) . . . . ?
C7 C11 C5_1 C8 0.7(5) . . . . ?
C7 C11 C5_1 C10 179.7(9) . . . . ?
C7 C11 C5_1 C1_1 -5.1(7) . . . . ?
C7 C11 C5_1 C4_1 163.2(5) . . . . ?
C7 C11 C5_1 Fe3_1 -103.1(6) . . . . ?
C7 C11 Fe3_1 Fe2 27.7(11) . . . . ?
C7 C11 Fe3_1 C3 -62.0(18) . . . . ?
C7 C11 Fe3_1 C10 105.6(3) . . . . ?
C7 C11 Fe3_1 C1_1 15.2(9) . . . . ?
C7 C11 Fe3_1 C2_1 -58(2) . . . . ?
C7 C11 Fe3_1 C5_1 68.0(6) . . . . ?
C7 C11 Fe3_1 C32_1 39(2) . . . . ?
C7 C11 Fe3_1 C33_1 153.4(15) . . . . ?
C7 C11 Fe3_1 C34_1 -143.2(8) . . . . ?
C7 C11 Fe3_1 C36_1 -36.5(11) . . . . ?
C7 C2_1 C3_1 C10 -14.2(8) . . . . ?
C7 C2_1 C3_1 C11 -30.4(15) . . . . ?
C7 C2_1 C3_1 C12 -152.6(18) . . . . ?
C7 C2_1 C3_1 C4_1 -5.3(9) . . . . ?
C7 C2_1 C3_1 Fe3_1 -64.3(9) . . . . ?
C8 C7 C11 Fe2 -59.9(2) . . . . ?
C8 C7 C11 C10 -0.5(3) . . . . ?
C8 C7 C11 C12 -177.6(3) . . . . ?
C8 C7 C11 C1_1 -14(2) . . . . ?
C8 C7 C11 C2_1 165.3(17) . . . . ?
C8 C7 C11 C3_1 106(3) . . . . ?
C8 C7 C11 C4_1 14.2(8) . . . . ?
C8 C7 C11 C5_1 -0.7(5) . . . . ?
C8 C7 C11 Fe3_1 -74.9(7) . . . . ?
C8 C7 C2_1 Fe2 -65.0(11) . . . . ?
C8 C7 C2_1 C11 -23(2) . . . . ?
C8 C7 C2_1 C12 -60(6) . . . . ?
C8 C7 C2_1 C1_1 -23.1(18) . . . . ?
C8 C7 C2_1 C3_1 -4.0(19) . . . . ?
C8 C7 C2_1 Fe3_1 -62.9(13) . . . . ?
C8 C7 C5_1 Fe2 -97.7(7) . . . . ?
C8 C7 C5_1 C9 1(2) . . . . ?
C8 C7 C5_1 C10 178.8(14) . . . . ?
C8 C7 C5_1 C11 179.1(7) . . . . ?
C8 C7 C5_1 C1_1 -47(6) . . . . ?
C8 C7 C5_1 C4_1 164.6(6) . . . . ?
C8 C7 C5_1 Fe3_1 -132.3(5) . . . . ?
C8 C7 C6_1 Fe2 68.8(4) . . . . ?
C8 C7 C6_1 C1_1 25(2) . . . . ?
C8 C7 C6_1 C7_1 -150(3) . . . . ?
C8 C9 C10 Fe2 59.6(3) . . . . ?
C8 C9 C10 C11 0.0(4) . . . . ?
C8 C9 C10 C1_1 3.5(5) . . . . ?
C8 C9 C10 C3_1 -24.8(11) . . . . ?
C8 C9 C10 C5_1 2(2) . . . . ?
C8 C9 C10 Fe3_1 57.5(7) . . . . ?
C8 C9 C1_1 Fe2 109.8(10) . . . . ?
C8 C9 C1_1 C10 -174.3(9) . . . . ?
C8 C9 C1_1 C11 -170.9(12) . . . . ?
C8 C9 C1_1 C2_1 -159.8(10) . . . . ?
C8 C9 C1_1 C5_1 -172(2) . . . . ?
C8 C9 C1_1 C6_1 18.8(8) . . . . ?
C8 C9 C1_1 Fe3_1 142.0(7) . . . . ?
C8 C9 C4_1 Fe2 64.3(4) . . . . ?
C8 C9 C4_1 C11 17.4(9) . . . . ?
C8 C9 C4_1 C3_1 7.0(10) . . . . ?
C8 C9 C4_1 C5_1 17.7(16) . . . . ?
C8 C9 C4_1 Fe3_1 63.7(5) . . . . ?
C8 C9 C5_1 Fe2 80.5(15) . . . . ?
C8 C9 C5_1 C7 -1.0(17) . . . . ?
C8 C9 C5_1 C10 -178(2) . . . . ?
C8 C9 C5_1 C1_1 4.7(13) . . . . ?
C8 C9 C5_1 C4_1 -162.4(14) . . . . ?
C8 C9 C5_1 Fe3_1 108(2) . . . . ?
C8 C1_1 C2_1 Fe2 -124(4) . . . . ?
C8 C1_1 C2_1 C7 108(4) . . . . ?
C8 C1_1 C2_1 C11 -72(4) . . . . ?
C8 C1_1 C2_1 C12 -95(4) . . . . ?
C8 C1_1 C2_1 C3_1 -55(3) . . . . ?
C8 C1_1 C2_1 Fe3_1 -115(3) . . . . ?
C8 C1_1 C5_1 Fe2 -103.2(13) . . . . ?
C8 C1_1 C5_1 C7 129(6) . . . . ?
C8 C1_1 C5_1 C9 -6.5(17) . . . . ?
C8 C1_1 C5_1 C10 176.2(17) . . . . ?
C8 C1_1 C5_1 C11 172.0(14) . . . . ?
C8 C1_1 C5_1 C4_1 161.7(10) . . . . ?
C8 C1_1 C5_1 Fe3_1 -138.2(9) . . . . ?
C8 C1_1 C6_1 Fe2 85.5(11) . . . . ?
C8 C1_1 C6_1 C7 -149(3) . . . . ?
C9 Fe2 C1_1 C8 44.8(9) . . . . ?
C9 Fe2 C1_1 C10 -46.6(4) . . . . ?
C9 Fe2 C1_1 C11 -92.5(9) . . . . ?
C9 Fe2 C1_1 C2_1 -119.6(6) . . . . ?
C9 Fe2 C1_1 C5_1 -14.1(7) . . . . ?
C9 Fe2 C1_1 C6_1 109.6(6) . . . . ?
C9 Fe2 C1_1 Fe3_1 -103.1(9) . . . . ?
C9 Fe2 C5_1 C7 133(3) . . . . ?
C9 Fe2 C5_1 C8 83(3) . . . . ?
C9 Fe2 C5_1 C10 -122(3) . . . . ?
C9 Fe2 C5_1 C11 -176(3) . . . . ?
C9 Fe2 C5_1 C1_1 129(3) . . . . ?
C9 Fe2 C5_1 C4_1 -127(3) . . . . ?
C9 Fe2 C5_1 Fe3_1 -143(2) . . . . ?
C9 Fe2 C32_1 C2 100.3(16) . . . . ?
C9 Fe2 C32_1 C3 161.4(3) . . . . ?
C9 Fe2 C32_1 C4 -148.3(3) . . . . ?
C9 Fe2 C32_1 C5 -98.9(7) . . . . ?
C9 Fe2 C32_1 C6 -34(2) . . . . ?
C9 Fe2 C32_1 C31_1 -50.6(6) . . . . ?
C9 Fe2 C32_1 C33_1 78.4(6) . . . . ?
C9 Fe2 C32_1 C36_1 -176.3(7) . . . . ?
C9 Fe2 C32_1 Fe3_1 103.1(10) . . . . ?
C9 Fe2 Fe3_1 C2 -126.0(3) . . . . ?
C9 Fe2 Fe3_1 C3 -170.6(3) . . . . ?
C9 Fe2 Fe3_1 C10 -2.6(7) . . . . ?
C9 Fe2 Fe3_1 C11 47.7(10) . . . . ?
C9 Fe2 Fe3_1 C1_1 57.5(7) . . . . ?
C9 Fe2 Fe3_1 C2_1 68.8(5) . . . . ?
C9 Fe2 Fe3_1 C5_1 9.4(6) . . . . ?
C9 Fe2 Fe3_1 C32_1 -127.1(8) . . . . ?
C9 Fe2 Fe3_1 C33_1 -110.3(5) . . . . ?
C9 Fe2 Fe3_1 C34_1 -140.4(7) . . . . ?
C9 Fe2 Fe3_1 C36_1 -174.5(7) . . . . ?
C9 C8 C1_1 Fe2 -61.1(7) . . . . ?
C9 C8 C1_1 C10 3.9(6) . . . . ?
C9 C8 C1_1 C11 13.2(17) . . . . ?
C9 C8 C1_1 C2_1 65(3) . . . . ?
C9 C8 C1_1 C5_1 2.0(5) . . . . ?
C9 C8 C1_1 C6_1 -160.7(7) . . . . ?
C9 C8 C1_1 Fe3_1 -42.5(9) . . . . ?
C9 C8 C5_1 Fe2 -111.7(18) . . . . ?
C9 C8 C5_1 C7 179.1(15) . . . . ?
C9 C8 C5_1 C10 177(4) . . . . ?
C9 C8 C5_1 C11 178(2) . . . . ?
C9 C8 C5_1 C1_1 -175.3(12) . . . . ?
C9 C8 C5_1 C4_1 148(2) . . . . ?
C9 C8 C5_1 Fe3_1 -135.1(18) . . . . ?
C9 C8 C6_1 Fe2 -3(2) . . . . ?
C9 C8 C6_1 C7 65(2) . . . . ?
C9 C8 C6_1 C1_1 55(2) . . . . ?
C9 C8 C6_1 C7_1 -124(2) . . . . ?
C9 C10 C11 Fe2 60.2(2) . . . . ?
C9 C10 C11 C7 0.3(4) . . . . ?
C9 C10 C11 C12 177.4(3) . . . . ?
C9 C10 C11 C1_1 4.5(7) . . . . ?
C9 C10 C11 C2_1 -38(4) . . . . ?
C9 C10 C11 C3_1 -152.0(12) . . . . ?
C9 C10 C11 C4_1 -134(3) . . . . ?
C9 C10 C11 C5_1 0.6(8) . . . . ?
C9 C10 C11 Fe3_1 93.6(7) . . . . ?
C9 C10 C3_1 C11 42.2(16) . . . . ?
C9 C10 C3_1 C12 89(3) . . . . ?
C9 C10 C3_1 C2_1 31.8(10) . . . . ?
C9 C10 C3_1 C4_1 -117(3) . . . . ?
C9 C10 C3_1 Fe3_1 93.0(10) . . . . ?
C9 C10 C5_1 Fe2 114(3) . . . . ?
C9 C10 C5_1 C7 -178(3) . . . . ?
C9 C10 C5_1 C8 -176(5) . . . . ?
C9 C10 C5_1 C11 -178(2) . . . . ?
C9 C10 C5_1 C1_1 178(3) . . . . ?
C9 C10 C5_1 C4_1 -87(6) . . . . ?
C9 C10 C5_1 Fe3_1 126(2) . . . . ?
C9 C10 Fe3_1 Fe2 3.8(10) . . . . ?
C9 C10 Fe3_1 C2 81.2(10) . . . . ?
C9 C10 Fe3_1 C3 50(4) . . . . ?
C9 C10 Fe3_1 C11 -103.1(5) . . . . ?
C9 C10 Fe3_1 C1_1 -53.3(5) . . . . ?
C9 C10 Fe3_1 C2_1 -96.9(5) . . . . ?
C9 C10 Fe3_1 C5_1 -17.1(11) . . . . ?
C9 C10 Fe3_1 C32_1 54.1(6) . . . . ?
C9 C10 Fe3_1 C33_1 97.9(5) . . . . ?
C9 C10 Fe3_1 C34_1 138.2(6) . . . . ?
C9 C10 Fe3_1 C36_1 18.7(15) . . . . ?
C9 C1_1 C2_1 Fe2 -71.6(8) . . . . ?
C9 C1_1 C2_1 C7 160(3) . . . . ?
C9 C1_1 C2_1 C11 -19.8(12) . . . . ?
C9 C1_1 C2_1 C12 -42.7(17) . . . . ?
C9 C1_1 C2_1 C3_1 -2.8(6) . . . . ?
C9 C1_1 C2_1 Fe3_1 -62.3(6) . . . . ?
C9 C1_1 C5_1 Fe2 -97(2) . . . . ?
C9 C1_1 C5_1 C7 135(7) . . . . ?
C9 C1_1 C5_1 C8 6.5(17) . . . . ?
C9 C1_1 C5_1 C10 -177(3) . . . . ?
C9 C1_1 C5_1 C11 178(3) . . . . ?
C9 C1_1 C5_1 C4_1 168(2) . . . . ?
C9 C1_1 C5_1 Fe3_1 -132(2) . . . . ?
C9 C1_1 C6_1 Fe2 70.1(7) . . . . ?
C9 C1_1 C6_1 C7 -164(3) . . . . ?
C9 C1_1 C6_1 C8 -15.4(6) . . . . ?
C9 C4_1 C5_1 Fe2 122(2) . . . . ?
C9 C4_1 C5_1 C7 -167(2) . . . . ?
C9 C4_1 C5_1 C8 -143(3) . . . . ?
C9 C4_1 C5_1 C10 100(6) . . . . ?
C9 C4_1 C5_1 C11 -180(2) . . . . ?
C9 C4_1 C5_1 C1_1 -170(2) . . . . ?
C9 C4_1 C5_1 Fe3_1 131(2) . . . . ?
C10 Fe2 C1_1 C8 91.4(12) . . . . ?
C10 Fe2 C1_1 C9 46.6(4) . . . . ?
C10 Fe2 C1_1 C11 -46.0(6) . . . . ?
C10 Fe2 C1_1 C2_1 -73.0(5) . . . . ?
C10 Fe2 C1_1 C5_1 32.5(7) . . . . ?
C10 Fe2 C1_1 C6_1 156.1(5) . . . . ?
C10 Fe2 C1_1 Fe3_1 -56.5(11) . . . . ?
C10 Fe2 C5_1 C7 -104.7(14) . . . . ?
C10 Fe2 C5_1 C8 -155(2) . . . . ?
C10 Fe2 C5_1 C9 122(3) . . . . ?
C10 Fe2 C5_1 C11 -54.4(10) . . . . ?
C10 Fe2 C5_1 C1_1 -109.4(12) . . . . ?
C10 Fe2 C5_1 C4_1 -5.1(11) . . . . ?
C10 Fe2 C5_1 Fe3_1 -20.6(19) . . . . ?
C10 Fe2 C32_1 C2 52.0(18) . . . . ?
C10 Fe2 C32_1 C3 113.0(6) . . . . ?
C10 Fe2 C32_1 C4 163.3(2) . . . . ?
C10 Fe2 C32_1 C5 -147.2(4) . . . . ?
C10 Fe2 C32_1 C6 -82.3(18) . . . . ?
C10 Fe2 C32_1 C31_1 -99.0(5) . . . . ?
C10 Fe2 C32_1 C33_1 30.0(6) . . . . ?
C10 Fe2 C32_1 C36_1 135.4(6) . . . . ?
C10 Fe2 C32_1 Fe3_1 54.7(8) . . . . ?
C10 Fe2 C36_1 C2 -54.3(13) . . . . ?
C10 Fe2 C36_1 C3 -2(3) . . . . ?
C10 Fe2 C36_1 C4 169.7(7) . . . . ?
C10 Fe2 C36_1 C5 -145.3(6) . . . . ?
C10 Fe2 C36_1 C32_1 -85.7(9) . . . . ?
C10 Fe2 C36_1 C35_1 18.0(10) . . . . ?
C10 Fe2 C36_1 Fe3_1 11.3(7) . . . . ?
C10 Fe2 Fe3_1 C2 -123.4(8) . . . . ?
C10 Fe2 Fe3_1 C3 -168.0(9) . . . . ?
C10 Fe2 Fe3_1 C11 50.2(6) . . . . ?
C10 Fe2 Fe3_1 C1_1 60.0(10) . . . . ?
C10 Fe2 Fe3_1 C2_1 71.4(7) . . . . ?
C10 Fe2 Fe3_1 C5_1 12.0(11) . . . . ?
C10 Fe2 Fe3_1 C32_1 -124.6(6) . . . . ?
C10 Fe2 Fe3_1 C33_1 -107.7(7) . . . . ?
C10 Fe2 Fe3_1 C34_1 -137.8(11) . . . . ?
C10 Fe2 Fe3_1 C36_1 -172.0(5) . . . . ?
C10 C9 C1_1 Fe2 -75.9(5) . . . . ?
C10 C9 C1_1 C8 174.3(9) . . . . ?
C10 C9 C1_1 C11 3.4(5) . . . . ?
C10 C9 C1_1 C2_1 14.5(5) . . . . ?
C10 C9 C1_1 C5_1 2(2) . . . . ?
C10 C9 C1_1 C6_1 -166.9(5) . . . . ?
C10 C9 C1_1 Fe3_1 -43.7(4) . . . . ?
C10 C9 C4_1 Fe2 -10(4) . . . . ?
C10 C9 C4_1 C11 -57(3) . . . . ?
C10 C9 C4_1 C3_1 -67(3) . . . . ?
C10 C9 C4_1 C5_1 -57(5) . . . . ?
C10 C9 C4_1 Fe3_1 -11(4) . . . . ?
C10 C9 C5_1 Fe2 -101(3) . . . . ?
C10 C9 C5_1 C7 177(4) . . . . ?
C10 C9 C5_1 C8 178(2) . . . . ?
C10 C9 C5_1 C1_1 -177(3) . . . . ?
C10 C9 C5_1 C4_1 15.8(11) . . . . ?
C10 C9 C5_1 Fe3_1 -74(3) . . . . ?
C10 C11 C12 C2_1 168.1(15) . . . . ?
C10 C11 C12 C3_1 39.7(15) . . . . ?
C10 C11 C12 Fe3_1 -72.5(7) . . . . ?
C10 C11 C1_1 Fe2 65.2(6) . . . . ?
C10 C11 C1_1 C8 -13.0(17) . . . . ?
C10 C11 C1_1 C9 -3.2(5) . . . . ?
C10 C11 C1_1 C2_1 -166.4(13) . . . . ?
C10 C11 C1_1 C5_1 -2.9(5) . . . . ?
C10 C11 C1_1 C6_1 151.8(17) . . . . ?
C10 C11 C1_1 Fe3_1 72.8(7) . . . . ?
C10 C11 C2_1 Fe2 90(4) . . . . ?
C10 C11 C2_1 C7 44(4) . . . . ?
C10 C11 C2_1 C12 -150(3) . . . . ?
C10 C11 C2_1 C1_1 44(3) . . . . ?
C10 C11 C2_1 C3_1 -110(4) . . . . ?
C10 C11 C2_1 Fe3_1 125(5) . . . . ?
C10 C11 C3_1 C12 -148.6(11) . . . . ?
C10 C11 C3_1 C2_1 161.4(18) . . . . ?
C10 C11 C3_1 C4_1 6.0(6) . . . . ?
C10 C11 C3_1 Fe3_1 -68.4(13) . . . . ?
C10 C11 C4_1 Fe2 -13(3) . . . . ?
C10 C11 C4_1 C9 33(2) . . . . ?
C10 C11 C4_1 C3_1 -160.5(19) . . . . ?
C10 C11 C4_1 C5_1 33(3) . . . . ?
C10 C11 C4_1 Fe3_1 -45(3) . . . . ?
C10 C11 C5_1 Fe2 101.7(10) . . . . ?
C10 C11 C5_1 C7 -179.7(9) . . . . ?
C10 C11 C5_1 C8 -179.0(14) . . . . ?
C10 C11 C5_1 C1_1 175.2(7) . . . . ?
C10 C11 C5_1 C4_1 -16.5(11) . . . . ?
C10 C11 C5_1 Fe3_1 77.3(9) . . . . ?
C10 C11 Fe3_1 Fe2 -77.9(10) . . . . ?
C10 C11 Fe3_1 C3 -167.6(19) . . . . ?
C10 C11 Fe3_1 C1_1 -90.4(9) . . . . ?
C10 C11 Fe3_1 C2_1 -163(2) . . . . ?
C10 C11 Fe3_1 C5_1 -37.6(8) . . . . ?
C10 C11 Fe3_1 C32_1 -66.4(19) . . . . ?
C10 C11 Fe3_1 C33_1 47.8(15) . . . . ?
C10 C11 Fe3_1 C34_1 111.2(9) . . . . ?
C10 C11 Fe3_1 C36_1 -142.1(11) . . . . ?
C10 C1_1 C2_1 Fe2 -61.7(6) . . . . ?
C10 C1_1 C2_1 C7 170(3) . . . . ?
C10 C1_1 C2_1 C11 -9.9(10) . . . . ?
C10 C1_1 C2_1 C12 -32.8(14) . . . . ?
C10 C1_1 C2_1 C3_1 7.2(5) . . . . ?
C10 C1_1 C2_1 Fe3_1 -52.4(5) . . . . ?
C10 C1_1 C5_1 Fe2 80.6(11) . . . . ?
C10 C1_1 C5_1 C7 -47(6) . . . . ?
C10 C1_1 C5_1 C8 -176.2(17) . . . . ?
C10 C1_1 C5_1 C9 177(3) . . . . ?
C10 C1_1 C5_1 C11 -4.2(7) . . . . ?
C10 C1_1 C5_1 C4_1 -14.5(10) . . . . ?
C10 C1_1 C5_1 Fe3_1 45.7(10) . . . . ?
C10 C1_1 C6_1 Fe2 51.1(9) . . . . ?
C10 C1_1 C6_1 C7 177(3) . . . . ?
C10 C1_1 C6_1 C8 -34.5(10) . . . . ?
C10 C3_1 C4_1 Fe2 -8(2) . . . . ?
C10 C3_1 C4_1 C9 36(2) . . . . ?
C10 C3_1 C4_1 C11 19(2) . . . . ?
C10 C3_1 C4_1 C5_1 33(3) . . . . ?
C10 C3_1 C4_1 Fe3_1 -26(3) . . . . ?
C11 Fe2 C1_1 C8 137.3(17) . . . . ?
C11 Fe2 C1_1 C9 92.5(9) . . . . ?
C11 Fe2 C1_1 C10 46.0(6) . . . . ?
C11 Fe2 C1_1 C2_1 -27.1(8) . . . . ?
C11 Fe2 C1_1 C5_1 78.5(9) . . . . ?
C11 Fe2 C1_1 C6_1 -157.9(9) . . . . ?
C11 Fe2 C1_1 Fe3_1 -10.6(15) . . . . ?
C11 Fe2 C5_1 C7 -50.3(5) . . . . ?
C11 Fe2 C5_1 C8 -100.3(11) . . . . ?
C11 Fe2 C5_1 C9 176(3) . . . . ?
C11 Fe2 C5_1 C10 54.4(10) . . . . ?
C11 Fe2 C5_1 C1_1 -55.0(7) . . . . ?
C11 Fe2 C5_1 C4_1 49.3(5) . . . . ?
C11 Fe2 C5_1 Fe3_1 33.8(12) . . . . ?
C11 Fe2 C32_1 C2 3(2) . . . . ?
C11 Fe2 C32_1 C3 63.9(11) . . . . ?
C11 Fe2 C32_1 C4 114.2(7) . . . . ?
C11 Fe2 C32_1 C5 163.6(3) . . . . ?
C11 Fe2 C32_1 C6 -131.5(14) . . . . ?
C11 Fe2 C32_1 C31_1 -148.1(7) . . . . ?
C11 Fe2 C32_1 C33_1 -19.1(8) . . . . ?
C11 Fe2 C32_1 C36_1 86.2(8) . . . . ?
C11 Fe2 C32_1 Fe3_1 5.5(6) . . . . ?
C11 Fe2 C36_1 C2 -98.8(6) . . . . ?
C11 Fe2 C36_1 C3 -46(2) . . . . ?
C11 Fe2 C36_1 C4 125.3(13) . . . . ?
C11 Fe2 C36_1 C5 170.2(2) . . . . ?
C11 Fe2 C36_1 C32_1 -130.2(6) . . . . ?
C11 Fe2 C36_1 C35_1 -26.4(5) . . . . ?
C11 Fe2 C36_1 Fe3_1 -33.1(7) . . . . ?
C11 Fe2 Fe3_1 C2 -173.6(12) . . . . ?
C11 Fe2 Fe3_1 C3 141.8(12) . . . . ?
C11 Fe2 Fe3_1 C10 -50.2(6) . . . . ?
C11 Fe2 Fe3_1 C1_1 9.8(14) . . . . ?
C11 Fe2 Fe3_1 C2_1 21.2(8) . . . . ?
C11 Fe2 Fe3_1 C5_1 -38.2(13) . . . . ?
C11 Fe2 Fe3_1 C32_1 -174.8(6) . . . . ?
C11 Fe2 Fe3_1 C33_1 -157.9(10) . . . . ?
C11 Fe2 Fe3_1 C34_1 171.9(14) . . . . ?
C11 Fe2 Fe3_1 C36_1 137.8(7) . . . . ?
C11 C7 C8 Fe2 58.9(2) . . . . ?
C11 C7 C8 C9 0.5(4) . . . . ?
C11 C7 C8 C1_1 25(4) . . . . ?
C11 C7 C8 C5_1 0.8(7) . . . . ?
C11 C7 C8 C6_1 157.8(9) . . . . ?
C11 C7 C2_1 Fe2 -41.7(14) . . . . ?
C11 C7 C2_1 C12 -37(4) . . . . ?
C11 C7 C2_1 C1_1 0(4) . . . . ?
C11 C7 C2_1 C3_1 19.3(8) . . . . ?
C11 C7 C2_1 Fe3_1 -39.6(12) . . . . ?
C11 C7 C5_1 Fe2 83.2(5) . . . . ?
C11 C7 C5_1 C8 -179.1(7) . . . . ?
C11 C7 C5_1 C9 -178(3) . . . . ?
C11 C7 C5_1 C10 -0.3(8) . . . . ?
C11 C7 C5_1 C1_1 134(6) . . . . ?
C11 C7 C5_1 C4_1 -14.5(4) . . . . ?
C11 C7 C5_1 Fe3_1 48.6(5) . . . . ?
C11 C7 C6_1 Fe2 6(2) . . . . ?
C11 C7 C6_1 C8 -63(3) . . . . ?
C11 C7 C6_1 C1_1 -37.6(16) . . . . ?
C11 C7 C6_1 C7_1 147.2(17) . . . . ?
C11 C10 C3_1 C12 46.9(18) . . . . ?
C11 C10 C3_1 C2_1 -10.4(9) . . . . ?
C11 C10 C3_1 C4_1 -159(2) . . . . ?
C11 C10 C3_1 Fe3_1 50.8(12) . . . . ?
C11 C10 C5_1 Fe2 -68.0(7) . . . . ?
C11 C10 C5_1 C7 0.3(7) . . . . ?
C11 C10 C5_1 C8 2(3) . . . . ?
C11 C10 C5_1 C9 178(2) . . . . ?
C11 C10 C5_1 C1_1 -3.9(6) . . . . ?
C11 C10 C5_1 C4_1 91(5) . . . . ?
C11 C10 C5_1 Fe3_1 -55.3(6) . . . . ?
C11 C10 Fe3_1 Fe2 106.9(10) . . . . ?
C11 C10 Fe3_1 C2 -175.7(14) . . . . ?
C11 C10 Fe3_1 C3 153(4) . . . . ?
C11 C10 Fe3_1 C1_1 49.9(7) . . . . ?
C11 C10 Fe3_1 C2_1 6.2(7) . . . . ?
C11 C10 Fe3_1 C5_1 86.0(14) . . . . ?
C11 C10 Fe3_1 C32_1 157.2(8) . . . . ?
C11 C10 Fe3_1 C33_1 -159.0(7) . . . . ?
C11 C10 Fe3_1 C34_1 -118.7(9) . . . . ?
C11 C10 Fe3_1 C36_1 121.9(15) . . . . ?
C11 C12 C2_1 Fe2 42.3(7) . . . . ?
C11 C12 C2_1 C7 38(4) . . . . ?
C11 C12 C2_1 C1_1 22.3(7) . . . . ?
C11 C12 C2_1 C3_1 -34.9(15) . . . . ?
C11 C12 C2_1 Fe3_1 41.1(11) . . . . ?
C11 C12 C3_1 C10 -39.9(14) . . . . ?
C11 C12 C3_1 C2_1 28.6(13) . . . . ?
C11 C12 C3_1 C4_1 -53.5(15) . . . . ?
C11 C12 C3_1 Fe3_1 -43.2(11) . . . . ?
C11 C1_1 C2_1 Fe2 -51.8(11) . . . . ?
C11 C1_1 C2_1 C7 -180(4) . . . . ?
C11 C1_1 C2_1 C12 -22.9(8) . . . . ?
C11 C1_1 C2_1 C3_1 17.0(12) . . . . ?
C11 C1_1 C2_1 Fe3_1 -42.5(12) . . . . ?
C11 C1_1 C5_1 Fe2 84.8(9) . . . . ?
C11 C1_1 C5_1 C7 -43(6) . . . . ?
C11 C1_1 C5_1 C8 -172.0(14) . . . . ?
C11 C1_1 C5_1 C9 -178(3) . . . . ?
C11 C1_1 C5_1 C10 4.2(7) . . . . ?
C11 C1_1 C5_1 C4_1 -10.3(7) . . . . ?
C11 C1_1 C5_1 Fe3_1 49.8(7) . . . . ?
C11 C1_1 C6_1 Fe2 -82.9(17) . . . . ?
C11 C1_1 C6_1 C7 43(2) . . . . ?
C11 C1_1 C6_1 C8 -168(2) . . . . ?
C11 C2_1 C3_1 C10 16.2(17) . . . . ?
C11 C2_1 C3_1 C12 -122(3) . . . . ?
C11 C2_1 C3_1 C4_1 25(2) . . . . ?
C11 C2_1 C3_1 Fe3_1 -34(2) . . . . ?
C11 C3_1 C4_1 Fe2 -26.5(8) . . . . ?
C11 C3_1 C4_1 C9 17.0(9) . . . . ?
C11 C3_1 C4_1 C5_1 13.7(10) . . . . ?
C11 C3_1 C4_1 Fe3_1 -44.6(10) . . . . ?
C11 C4_1 C5_1 Fe2 -58.4(6) . . . . ?
C11 C4_1 C5_1 C7 12.6(4) . . . . ?
C11 C4_1 C5_1 C8 36.5(12) . . . . ?
C11 C4_1 C5_1 C9 180(2) . . . . ?
C11 C4_1 C5_1 C10 -80(5) . . . . ?
C11 C4_1 C5_1 C1_1 9.5(6) . . . . ?
C11 C4_1 C5_1 Fe3_1 -49.7(6) . . . . ?
C12 C11 C1_1 Fe2 -105.3(9) . . . . ?
C12 C11 C1_1 C8 176.5(10) . . . . ?
C12 C11 C1_1 C9 -173.6(6) . . . . ?
C12 C11 C1_1 C10 -170.4(10) . . . . ?
C12 C11 C1_1 C2_1 23.1(10) . . . . ?
C12 C11 C1_1 C5_1 -173.3(10) . . . . ?
C12 C11 C1_1 C6_1 -19(2) . . . . ?
C12 C11 C1_1 Fe3_1 -97.6(11) . . . . ?
C12 C11 C2_1 Fe2 -119.4(6) . . . . ?
C12 C11 C2_1 C7 -165.5(13) . . . . ?
C12 C11 C2_1 C1_1 -165.5(4) . . . . ?
C12 C11 C2_1 C3_1 40(2) . . . . ?
C12 C11 C2_1 Fe3_1 -84.9(17) . . . . ?
C12 C11 C3_1 C10 148.6(11) . . . . ?
C12 C11 C3_1 C2_1 -50(2) . . . . ?
C12 C11 C3_1 C4_1 154.6(8) . . . . ?
C12 C11 C3_1 Fe3_1 80.1(17) . . . . ?
C12 C11 C4_1 Fe2 125.4(4) . . . . ?
C12 C11 C4_1 C9 172.1(4) . . . . ?
C12 C11 C4_1 C3_1 -21.6(9) . . . . ?
C12 C11 C4_1 C5_1 172.0(5) . . . . ?
C12 C11 C4_1 Fe3_1 93.7(7) . . . . ?
C12 C11 C5_1 Fe2 92.9(17) . . . . ?
C12 C11 C5_1 C7 171.6(16) . . . . ?
C12 C11 C5_1 C8 172.3(11) . . . . ?
C12 C11 C5_1 C10 -9(2) . . . . ?
C12 C11 C5_1 C1_1 166(2) . . . . ?
C12 C11 C5_1 C4_1 -25.3(15) . . . . ?
C12 C11 C5_1 Fe3_1 68.5(16) . . . . ?
C12 C11 Fe3_1 Fe2 155.9(10) . . . . ?
C12 C11 Fe3_1 C3 66.2(18) . . . . ?
C12 C11 Fe3_1 C10 -126.2(4) . . . . ?
C12 C11 Fe3_1 C1_1 143.4(10) . . . . ?
C12 C11 Fe3_1 C2_1 71(2) . . . . ?
C12 C11 Fe3_1 C5_1 -163.8(7) . . . . ?
C12 C11 Fe3_1 C32_1 167.4(19) . . . . ?
C12 C11 Fe3_1 C33_1 -78.4(16) . . . . ?
C12 C11 Fe3_1 C34_1 -15.0(9) . . . . ?
C12 C11 Fe3_1 C36_1 91.7(10) . . . . ?
C12 C2_1 C3_1 C10 138.4(15) . . . . ?
C12 C2_1 C3_1 C11 122(3) . . . . ?
C12 C2_1 C3_1 C4_1 147.3(11) . . . . ?
C12 C2_1 C3_1 Fe3_1 88.3(11) . . . . ?
C12 C3_1 C4_1 Fe2 29(2) . . . . ?
C12 C3_1 C4_1 C9 72(2) . . . . ?
C12 C3_1 C4_1 C11 55.5(18) . . . . ?
C12 C3_1 C4_1 C5_1 69(2) . . . . ?
C12 C3_1 C4_1 Fe3_1 11(2) . . . . ?
C13 C12 C2_1 Fe2 -135.4(8) . . . . ?
C13 C12 C2_1 C7 -140(4) . . . . ?
C13 C12 C2_1 C11 -177.7(6) . . . . ?
C13 C12 C2_1 C1_1 -155.4(8) . . . . ?
C13 C12 C2_1 C3_1 147.4(16) . . . . ?
C13 C12 C2_1 Fe3_1 -136.6(12) . . . . ?
C13 C12 C3_1 C10 138.0(14) . . . . ?
C13 C12 C3_1 C11 177.8(6) . . . . ?
C13 C12 C3_1 C2_1 -153.5(14) . . . . ?
C13 C12 C3_1 C4_1 124.3(15) . . . . ?
C13 C12 C3_1 Fe3_1 134.7(12) . . . . ?
C13 C14 C15 Fe1 125.2(3) . . . . ?
C13 C14 C15 C16 -174.9(3) . . . . ?
C13 C14 C18 Fe1 -125.2(3) . . . . ?
C13 C14 C18 C17 175.3(3) . . . . ?
C14 C15 C16 Fe1 -59.8(2) . . . . ?
C14 C15 C16 C17 -0.8(3) . . . . ?
C15 C14 C18 Fe1 59.1(2) . . . . ?
C15 C14 C18 C17 -0.5(4) . . . . ?
C15 C16 C17 Fe1 -59.1(2) . . . . ?
C15 C16 C17 C18 0.5(3) . . . . ?
C16 C17 C18 Fe1 -59.6(2) . . . . ?
C16 C17 C18 C14 0.0(4) . . . . ?
C18 C14 C15 Fe1 -59.1(2) . . . . ?
C18 C14 C15 C16 0.8(3) . . . . ?
C1_1 Fe2 C5_1 C7 4.7(7) . . . . ?
C1_1 Fe2 C5_1 C8 -45.4(11) . . . . ?
C1_1 Fe2 C5_1 C9 -129(3) . . . . ?
C1_1 Fe2 C5_1 C10 109.4(12) . . . . ?
C1_1 Fe2 C5_1 C11 55.0(7) . . . . ?
C1_1 Fe2 C5_1 C4_1 104.3(2) . . . . ?
C1_1 Fe2 C5_1 Fe3_1 88.8(9) . . . . ?
C1_1 Fe2 C36_1 C2 -147.8(9) . . . . ?
C1_1 Fe2 C36_1 C3 -95(2) . . . . ?
C1_1 Fe2 C36_1 C4 76(2) . . . . ?
C1_1 Fe2 C36_1 C5 121.2(11) . . . . ?
C1_1 Fe2 C36_1 C32_1 -179.2(14) . . . . ?
C1_1 Fe2 C36_1 C35_1 -75.4(11) . . . . ?
C1_1 Fe2 C36_1 Fe3_1 -82.1(13) . . . . ?
C1_1 Fe2 Fe3_1 C2 176.6(5) . . . . ?
C1_1 Fe2 Fe3_1 C3 132.0(6) . . . . ?
C1_1 Fe2 Fe3_1 C10 -60.0(10) . . . . ?
C1_1 Fe2 Fe3_1 C11 -9.8(14) . . . . ?
C1_1 Fe2 Fe3_1 C2_1 11.3(6) . . . . ?
C1_1 Fe2 Fe3_1 C5_1 -48.0(3) . . . . ?
C1_1 Fe2 Fe3_1 C32_1 175.4(10) . . . . ?
C1_1 Fe2 Fe3_1 C33_1 -167.8(4) . . . . ?
C1_1 Fe2 Fe3_1 C34_1 162.11(18) . . . . ?
C1_1 Fe2 Fe3_1 C36_1 128.0(8) . . . . ?
C1_1 C8 C9 Fe2 52.9(8) . . . . ?
C1_1 C8 C9 C10 -5.7(9) . . . . ?
C1_1 C8 C9 C4_1 -17.7(8) . . . . ?
C1_1 C8 C9 C5_1 -4.5(11) . . . . ?
C1_1 C8 C9 Fe3_1 29.8(6) . . . . ?
C1_1 C8 C5_1 Fe2 63.5(9) . . . . ?
C1_1 C8 C5_1 C7 -5.6(7) . . . . ?
C1_1 C8 C5_1 C9 175.3(12) . . . . ?
C1_1 C8 C5_1 C10 -8(3) . . . . ?
C1_1 C8 C5_1 C11 -6.3(11) . . . . ?
C1_1 C8 C5_1 C4_1 -36.6(17) . . . . ?
C1_1 C8 C5_1 Fe3_1 40.1(9) . . . . ?
C1_1 C8 C6_1 Fe2 -57.3(6) . . . . ?
C1_1 C8 C6_1 C7 10.3(9) . . . . ?
C1_1 C8 C6_1 C7_1 -178.61(9) . . . . ?
C1_1 C9 C10 Fe2 56.1(5) . . . . ?
C1_1 C9 C10 C11 -3.5(5) . . . . ?
C1_1 C9 C10 C3_1 -28.2(8) . . . . ?
C1_1 C9 C10 C5_1 -2(2) . . . . ?
C1_1 C9 C10 Fe3_1 54.0(6) . . . . ?
C1_1 C9 C4_1 Fe2 53.9(4) . . . . ?
C1_1 C9 C4_1 C11 7.0(9) . . . . ?
C1_1 C9 C4_1 C3_1 -3.4(8) . . . . ?
C1_1 C9 C4_1 C5_1 7.3(16) . . . . ?
C1_1 C9 C4_1 Fe3_1 53.3(3) . . . . ?
C1_1 C9 C5_1 Fe2 75.8(16) . . . . ?
C1_1 C9 C5_1 C7 -5.6(10) . . . . ?
C1_1 C9 C5_1 C8 -4.7(13) . . . . ?
C1_1 C9 C5_1 C10 177(3) . . . . ?
C1_1 C9 C5_1 C4_1 -167(3) . . . . ?
C1_1 C9 C5_1 Fe3_1 103(3) . . . . ?
C1_1 C10 C11 Fe2 55.8(6) . . . . ?
C1_1 C10 C11 C7 -4.2(6) . . . . ?
C1_1 C10 C11 C12 172.9(7) . . . . ?
C1_1 C10 C11 C2_1 -42(3) . . . . ?
C1_1 C10 C11 C3_1 -156.5(16) . . . . ?
C1_1 C10 C11 C4_1 -139(3) . . . . ?
C1_1 C10 C11 C5_1 -3.9(6) . . . . ?
C1_1 C10 C11 Fe3_1 89.1(9) . . . . ?
C1_1 C10 C3_1 C11 16.4(12) . . . . ?
C1_1 C10 C3_1 C12 63(2) . . . . ?
C1_1 C10 C3_1 C2_1 6.1(4) . . . . ?
C1_1 C10 C3_1 C4_1 -142(3) . . . . ?
C1_1 C10 C3_1 Fe3_1 67.3(4) . . . . ?
C1_1 C10 C5_1 Fe2 -64.1(5) . . . . ?
C1_1 C10 C5_1 C7 4.2(5) . . . . ?
C1_1 C10 C5_1 C8 6(3) . . . . ?
C1_1 C10 C5_1 C9 -178(3) . . . . ?
C1_1 C10 C5_1 C11 3.9(6) . . . . ?
C1_1 C10 C5_1 C4_1 95(5) . . . . ?
C1_1 C10 C5_1 Fe3_1 -51.4(10) . . . . ?
C1_1 C10 Fe3_1 Fe2 57.0(10) . . . . ?
C1_1 C10 Fe3_1 C2 134.5(9) . . . . ?
C1_1 C10 Fe3_1 C3 103(3) . . . . ?
C1_1 C10 Fe3_1 C11 -49.9(7) . . . . ?
C1_1 C10 Fe3_1 C2_1 -43.6(2) . . . . ?
C1_1 C10 Fe3_1 C5_1 36.2(10) . . . . ?
C1_1 C10 Fe3_1 C32_1 107.3(4) . . . . ?
C1_1 C10 Fe3_1 C33_1 151.2(2) . . . . ?
C1_1 C10 Fe3_1 C34_1 -168.5(2) . . . . ?
C1_1 C10 Fe3_1 C36_1 72.0(15) . . . . ?
C1_1 C11 C12 C2_1 -23.8(9) . . . . ?
C1_1 C11 C12 C3_1 -152(2) . . . . ?
C1_1 C11 C12 Fe3_1 95.6(12) . . . . ?
C1_1 C11 C2_1 Fe2 46.2(6) . . . . ?
C1_1 C11 C2_1 C7 0.1(12) . . . . ?
C1_1 C11 C2_1 C12 165.5(4) . . . . ?
C1_1 C11 C2_1 C3_1 -154.6(19) . . . . ?
C1_1 C11 C2_1 Fe3_1 80.6(16) . . . . ?
C1_1 C11 C3_1 C10 -74(5) . . . . ?
C1_1 C11 C3_1 C12 138(4) . . . . ?
C1_1 C11 C3_1 C2_1 88(4) . . . . ?
C1_1 C11 C3_1 C4_1 -68(4) . . . . ?
C1_1 C11 C3_1 Fe3_1 -142(6) . . . . ?
C1_1 C11 C4_1 Fe2 -56.3(7) . . . . ?
C1_1 C11 C4_1 C9 -9.6(12) . . . . ?
C1_1 C11 C4_1 C3_1 156.7(16) . . . . ?
C1_1 C11 C4_1 C5_1 -9.7(6) . . . . ?
C1_1 C11 C4_1 Fe3_1 -88.0(10) . . . . ?
C1_1 C11 C5_1 Fe2 -73.5(6) . . . . ?
C1_1 C11 C5_1 C7 5.1(7) . . . . ?
C1_1 C11 C5_1 C8 5.8(10) . . . . ?
C1_1 C11 C5_1 C10 -175.2(7) . . . . ?
C1_1 C11 C5_1 C4_1 168.3(8) . . . . ?
C1_1 C11 C5_1 Fe3_1 -98.0(8) . . . . ?
C1_1 C11 Fe3_1 Fe2 12.5(17) . . . . ?
C1_1 C11 Fe3_1 C3 -77(2) . . . . ?
C1_1 C11 Fe3_1 C10 90.4(9) . . . . ?
C1_1 C11 Fe3_1 C2_1 -72.8(19) . . . . ?
C1_1 C11 Fe3_1 C5_1 52.8(7) . . . . ?
C1_1 C11 Fe3_1 C32_1 24(3) . . . . ?
C1_1 C11 Fe3_1 C33_1 138.2(10) . . . . ?
C1_1 C11 Fe3_1 C34_1 -158.4(3) . . . . ?
C1_1 C11 Fe3_1 C36_1 -51.7(16) . . . . ?
C1_1 C2_1 C3_1 C10 -8.7(6) . . . . ?
C1_1 C2_1 C3_1 C11 -25(2) . . . . ?
C1_1 C2_1 C3_1 C12 -147.1(11) . . . . ?
C1_1 C2_1 C3_1 C4_1 0.2 . . . . ?
C1_1 C2_1 C3_1 Fe3_1 -58.9 . . . . ?
C2_1 C7 C8 Fe2 73.1(14) . . . . ?
C2_1 C7 C8 C9 14.6(15) . . . . ?
C2_1 C7 C8 C1_1 39(3) . . . . ?
C2_1 C7 C8 C5_1 15.0(13) . . . . ?
C2_1 C7 C8 C6_1 172(2) . . . . ?
C2_1 C7 C11 Fe2 134.8(16) . . . . ?
C2_1 C7 C11 C10 -165.8(17) . . . . ?
C2_1 C7 C11 C12 17.2(16) . . . . ?
C2_1 C7 C11 C1_1 -180(4) . . . . ?
C2_1 C7 C11 C3_1 -59(2) . . . . ?
C2_1 C7 C11 C4_1 -151.1(19) . . . . ?
C2_1 C7 C11 C5_1 -166.0(19) . . . . ?
C2_1 C7 C11 Fe3_1 120(2) . . . . ?
C2_1 C7 C5_1 Fe2 91.5(10) . . . . ?
C2_1 C7 C5_1 C8 -170.8(9) . . . . ?
C2_1 C7 C5_1 C9 -170(2) . . . . ?
C2_1 C7 C5_1 C10 8.0(16) . . . . ?
C2_1 C7 C5_1 C11 8.3(11) . . . . ?
C2_1 C7 C5_1 C1_1 142(7) . . . . ?
C2_1 C7 C5_1 C4_1 -6.3(10) . . . . ?
C2_1 C7 C5_1 Fe3_1 56.8(8) . . . . ?
C2_1 C7 C6_1 Fe2 -98(3) . . . . ?
C2_1 C7 C6_1 C8 -167(3) . . . . ?
C2_1 C7 C6_1 C1_1 -142(5) . . . . ?
C2_1 C7 C6_1 C7_1 43(6) . . . . ?
C2_1 C11 C12 C3_1 -128(2) . . . . ?
C2_1 C11 C12 Fe3_1 119.4(17) . . . . ?
C2_1 C11 C1_1 Fe2 -128.4(10) . . . . ?
C2_1 C11 C1_1 C8 153.4(14) . . . . ?
C2_1 C11 C1_1 C9 163.2(10) . . . . ?
C2_1 C11 C1_1 C10 166.4(13) . . . . ?
C2_1 C11 C1_1 C5_1 163.6(12) . . . . ?
C2_1 C11 C1_1 C6_1 -42(2) . . . . ?
C2_1 C11 C1_1 Fe3_1 -120.7(16) . . . . ?
C2_1 C11 C3_1 C10 -161.4(18) . . . . ?
C2_1 C11 C3_1 C12 50(2) . . . . ?
C2_1 C11 C3_1 C4_1 -155.4(19) . . . . ?
C2_1 C11 C3_1 Fe3_1 130(3) . . . . ?
C2_1 C11 C4_1 Fe2 -141(5) . . . . ?
C2_1 C11 C4_1 C9 -94(5) . . . . ?
C2_1 C11 C4_1 C3_1 72(4) . . . . ?
C2_1 C11 C4_1 C5_1 -94(5) . . . . ?
C2_1 C11 C4_1 Fe3_1 -173(6) . . . . ?
C2_1 C11 C5_1 Fe2 -93.5(18) . . . . ?
C2_1 C11 C5_1 C7 -14.8(19) . . . . ?
C2_1 C11 C5_1 C8 -14(2) . . . . ?
C2_1 C11 C5_1 C10 164.8(17) . . . . ?
C2_1 C11 C5_1 C1_1 -20.0(14) . . . . ?
C2_1 C11 C5_1 C4_1 148(2) . . . . ?
C2_1 C11 C5_1 Fe3_1 -118(2) . . . . ?
C2_1 C11 Fe3_1 Fe2 85(2) . . . . ?
C2_1 C11 Fe3_1 C3 -4(4) . . . . ?
C2_1 C11 Fe3_1 C10 163.2(19) . . . . ?
C2_1 C11 Fe3_1 C1_1 72.8(19) . . . . ?
C2_1 C11 Fe3_1 C5_1 126(2) . . . . ?
C2_1 C11 Fe3_1 C32_1 97(3) . . . . ?
C2_1 C11 Fe3_1 C33_1 -149.0(10) . . . . ?
C2_1 C11 Fe3_1 C34_1 -86(2) . . . . ?
C2_1 C11 Fe3_1 C36_1 21(3) . . . . ?
C2_1 C12 C3_1 C10 -68(2) . . . . ?
C2_1 C12 C3_1 C11 -28.6(13) . . . . ?
C2_1 C12 C3_1 C4_1 -82(2) . . . . ?
C2_1 C12 C3_1 Fe3_1 -71.8(4) . . . . ?
C2_1 C1_1 C5_1 Fe2 94.6(6) . . . . ?
C2_1 C1_1 C5_1 C7 -33(6) . . . . ?
C2_1 C1_1 C5_1 C8 -162.2(10) . . . . ?
C2_1 C1_1 C5_1 C9 -169(2) . . . . ?
C2_1 C1_1 C5_1 C10 13.9(10) . . . . ?
C2_1 C1_1 C5_1 C11 9.8(7) . . . . ?
C2_1 C1_1 C5_1 C4_1 -0.6 . . . . ?
C2_1 C1_1 C5_1 Fe3_1 59.6 . . . . ?
C2_1 C1_1 C6_1 Fe2 -111.4(5) . . . . ?
C2_1 C1_1 C6_1 C7 14(3) . . . . ?
C2_1 C1_1 C6_1 C8 163.1(9) . . . . ?
C2_1 C3_1 C4_1 Fe2 -40.8(3) . . . . ?
C2_1 C3_1 C4_1 C9 2.7(7) . . . . ?
C2_1 C3_1 C4_1 C11 -14.3(10) . . . . ?
C2_1 C3_1 C4_1 C5_1 -0.6 . . . . ?
C2_1 C3_1 C4_1 Fe3_1 -58.9 . . . . ?
C3_1 C10 C11 Fe2 -147.8(12) . . . . ?
C3_1 C10 C11 C7 152.3(13) . . . . ?
C3_1 C10 C11 C12 -30.6(12) . . . . ?
C3_1 C10 C11 C1_1 156.5(16) . . . . ?
C3_1 C10 C11 C2_1 114(4) . . . . ?
C3_1 C10 C11 C4_1 17.8(18) . . . . ?
C3_1 C10 C11 C5_1 152.6(17) . . . . ?
C3_1 C10 C11 Fe3_1 -114.4(16) . . . . ?
C3_1 C10 C5_1 Fe2 -86.2(12) . . . . ?
C3_1 C10 C5_1 C7 -17.9(16) . . . . ?
C3_1 C10 C5_1 C8 -16(4) . . . . ?
C3_1 C10 C5_1 C9 160.1(18) . . . . ?
C3_1 C10 C5_1 C11 -18.2(11) . . . . ?
C3_1 C10 C5_1 C1_1 -22.1(13) . . . . ?
C3_1 C10 C5_1 C4_1 73(5) . . . . ?
C3_1 C10 C5_1 Fe3_1 -73.5(12) . . . . ?
C3_1 C10 Fe3_1 Fe2 140.8(7) . . . . ?
C3_1 C10 Fe3_1 C2 -141.7(8) . . . . ?
C3_1 C10 Fe3_1 C3 -173(3) . . . . ?
C3_1 C10 Fe3_1 C11 34.0(10) . . . . ?
C3_1 C10 Fe3_1 C1_1 83.8(7) . . . . ?
C3_1 C10 Fe3_1 C2_1 40.2(4) . . . . ?
C3_1 C10 Fe3_1 C5_1 120.0(16) . . . . ?
C3_1 C10 Fe3_1 C32_1 -168.9(3) . . . . ?
C3_1 C10 Fe3_1 C33_1 -125.0(5) . . . . ?
C3_1 C10 Fe3_1 C34_1 -84.7(9) . . . . ?
C3_1 C10 Fe3_1 C36_1 155.8(8) . . . . ?
C3_1 C11 C12 C2_1 128(2) . . . . ?
C3_1 C11 C12 Fe3_1 -112.3(18) . . . . ?
C3_1 C11 C1_1 Fe2 137(4) . . . . ?
C3_1 C11 C1_1 C8 59(6) . . . . ?
C3_1 C11 C1_1 C9 69(5) . . . . ?
C3_1 C11 C1_1 C10 72(5) . . . . ?
C3_1 C11 C1_1 C2_1 -94(4) . . . . ?
C3_1 C11 C1_1 C5_1 69(5) . . . . ?
C3_1 C11 C1_1 C6_1 -136(4) . . . . ?
C3_1 C11 C1_1 Fe3_1 145(5) . . . . ?
C3_1 C11 C2_1 Fe2 -159(2) . . . . ?
C3_1 C11 C2_1 C7 154.7(11) . . . . ?
C3_1 C11 C2_1 C12 -40(2) . . . . ?
C3_1 C11 C2_1 C1_1 154.6(19) . . . . ?
C3_1 C11 C2_1 Fe3_1 -125(3) . . . . ?
C3_1 C11 C4_1 Fe2 147.0(10) . . . . ?
C3_1 C11 C4_1 C9 -166.3(8) . . . . ?
C3_1 C11 C4_1 C5_1 -166.4(10) . . . . ?
C3_1 C11 C4_1 Fe3_1 115.3(14) . . . . ?
C3_1 C11 C5_1 Fe2 131.9(12) . . . . ?
C3_1 C11 C5_1 C7 -149.5(14) . . . . ?
C3_1 C11 C5_1 C8 -148.8(12) . . . . ?
C3_1 C11 C5_1 C10 30(2) . . . . ?
C3_1 C11 C5_1 C1_1 -154.6(17) . . . . ?
C3_1 C11 C5_1 C4_1 13.7(10) . . . . ?
C3_1 C11 C5_1 Fe3_1 107.4(17) . . . . ?
C3_1 C11 Fe3_1 Fe2 -152.8(11) . . . . ?
C3_1 C11 Fe3_1 C3 117.5(18) . . . . ?
C3_1 C11 Fe3_1 C10 -74.9(18) . . . . ?
C3_1 C11 Fe3_1 C1_1 -165(3) . . . . ?
C3_1 C11 Fe3_1 C2_1 122(3) . . . . ?
C3_1 C11 Fe3_1 C5_1 -112.4(19) . . . . ?
C3_1 C11 Fe3_1 C32_1 -141.2(11) . . . . ?
C3_1 C11 Fe3_1 C33_1 -27(3) . . . . ?
C3_1 C11 Fe3_1 C34_1 36(2) . . . . ?
C3_1 C11 Fe3_1 C36_1 143.1(10) . . . . ?
C3_1 C12 C2_1 Fe2 77.2(9) . . . . ?
C3_1 C12 C2_1 C7 73(5) . . . . ?
C3_1 C12 C2_1 C11 34.9(15) . . . . ?
C3_1 C12 C2_1 C1_1 57.2(17) . . . . ?
C3_1 C12 C2_1 Fe3_1 76.0(7) . . . . ?
C3_1 C4_1 C5_1 Fe2 -67.3(5) . . . . ?
C3_1 C4_1 C5_1 C7 3.7(5) . . . . ?
C3_1 C4_1 C5_1 C8 27.7(14) . . . . ?
C3_1 C4_1 C5_1 C9 171(2) . . . . ?
C3_1 C4_1 C5_1 C10 -89(5) . . . . ?
C3_1 C4_1 C5_1 C11 -8.9(6) . . . . ?
C3_1 C4_1 C5_1 C1_1 0.7 . . . . ?
C3_1 C4_1 C5_1 Fe3_1 -58.5 . . . . ?
C4_1 C9 C10 Fe2 169(4) . . . . ?
C4_1 C9 C10 C11 110(4) . . . . ?
C4_1 C9 C10 C1_1 113(4) . . . . ?
C4_1 C9 C10 C3_1 85(4) . . . . ?
C4_1 C9 C10 C5_1 112(5) . . . . ?
C4_1 C9 C10 Fe3_1 167(4) . . . . ?
C4_1 C9 C1_1 Fe2 -87.0(6) . . . . ?
C4_1 C9 C1_1 C8 163.2(8) . . . . ?
C4_1 C9 C1_1 C10 -11.1(6) . . . . ?
C4_1 C9 C1_1 C11 -7.7(9) . . . . ?
C4_1 C9 C1_1 C2_1 3.4(8) . . . . ?
C4_1 C9 C1_1 C5_1 -9.2(18) . . . . ?
C4_1 C9 C1_1 C6_1 -178.0(3) . . . . ?
C4_1 C9 C1_1 Fe3_1 -54.8(4) . . . . ?
C4_1 C9 C5_1 Fe2 -117(2) . . . . ?
C4_1 C9 C5_1 C7 161(3) . . . . ?
C4_1 C9 C5_1 C8 162.4(14) . . . . ?
C4_1 C9 C5_1 C10 -15.8(11) . . . . ?
C4_1 C9 C5_1 C1_1 167(3) . . . . ?
C4_1 C9 C5_1 Fe3_1 -90(3) . . . . ?
C4_1 C11 C12 C2_1 153.4(17) . . . . ?
C4_1 C11 C12 C3_1 25.1(9) . . . . ?
C4_1 C11 C12 Fe3_1 -87.1(10) . . . . ?
C4_1 C11 C1_1 Fe2 77.4(9) . . . . ?
C4_1 C11 C1_1 C8 -1(2) . . . . ?
C4_1 C11 C1_1 C9 9.0(11) . . . . ?
C4_1 C11 C1_1 C10 12.2(8) . . . . ?
C4_1 C11 C1_1 C2_1 -154.2(17) . . . . ?
C4_1 C11 C1_1 C5_1 9.3(6) . . . . ?
C4_1 C11 C1_1 C6_1 164.0(10) . . . . ?
C4_1 C11 C1_1 Fe3_1 85.0(10) . . . . ?
C4_1 C11 C2_1 Fe2 137(5) . . . . ?
C4_1 C11 C2_1 C7 91(5) . . . . ?
C4_1 C11 C2_1 C12 -103(5) . . . . ?
C4_1 C11 C2_1 C1_1 91(5) . . . . ?
C4_1 C11 C2_1 C3_1 -63(4) . . . . ?
C4_1 C11 C2_1 Fe3_1 172(6) . . . . ?
C4_1 C11 C3_1 C10 -6.0(6) . . . . ?
C4_1 C11 C3_1 C12 -154.6(8) . . . . ?
C4_1 C11 C3_1 C2_1 155.4(19) . . . . ?
C4_1 C11 C3_1 Fe3_1 -74.4(13) . . . . ?
C4_1 C11 C5_1 Fe2 118.2(4) . . . . ?
C4_1 C11 C5_1 C7 -163.2(5) . . . . ?
C4_1 C11 C5_1 C8 -162.5(6) . . . . ?
C4_1 C11 C5_1 C10 16.5(11) . . . . ?
C4_1 C11 C5_1 C1_1 -168.3(8) . . . . ?
C4_1 C11 C5_1 Fe3_1 93.8(8) . . . . ?
C4_1 C11 Fe3_1 Fe2 -91.3(11) . . . . ?
C4_1 C11 Fe3_1 C3 179.0(12) . . . . ?
C4_1 C11 Fe3_1 C10 -13.3(10) . . . . ?
C4_1 C11 Fe3_1 C1_1 -103.7(13) . . . . ?
C4_1 C11 Fe3_1 C2_1 -177(3) . . . . ?
C4_1 C11 Fe3_1 C5_1 -50.9(6) . . . . ?
C4_1 C11 Fe3_1 C32_1 -80(2) . . . . ?
C4_1 C11 Fe3_1 C33_1 34(2) . . . . ?
C4_1 C11 Fe3_1 C34_1 97.9(10) . . . . ?
C4_1 C11 Fe3_1 C36_1 -155.4(4) . . . . ?
C5_1 Fe2 C1_1 C8 58.8(13) . . . . ?
C5_1 Fe2 C1_1 C9 14.1(7) . . . . ?
C5_1 Fe2 C1_1 C10 -32.5(7) . . . . ?
C5_1 Fe2 C1_1 C11 -78.5(9) . . . . ?
C5_1 Fe2 C1_1 C2_1 -105.6(2) . . . . ?
C5_1 Fe2 C1_1 C6_1 123.6(2) . . . . ?
C5_1 Fe2 C1_1 Fe3_1 -89.1(8) . . . . ?
C5_1 Fe2 C32_1 C2 85(2) . . . . ?
C5_1 Fe2 C32_1 C3 146.1(12) . . . . ?
C5_1 Fe2 C32_1 C4 -163.6(12) . . . . ?
C5_1 Fe2 C32_1 C5 -114.2(13) . . . . ?
C5_1 Fe2 C32_1 C6 -49(3) . . . . ?
C5_1 Fe2 C32_1 C31_1 -65.9(15) . . . . ?
C5_1 Fe2 C32_1 C33_1 63.1(15) . . . . ?
C5_1 Fe2 C32_1 C36_1 168.4(16) . . . . ?
C5_1 Fe2 C32_1 Fe3_1 87.7(15) . . . . ?
C5_1 Fe2 Fe3_1 C2 -135.4(6) . . . . ?
C5_1 Fe2 Fe3_1 C3 -180.0(6) . . . . ?
C5_1 Fe2 Fe3_1 C10 -12.0(11) . . . . ?
C5_1 Fe2 Fe3_1 C11 38.2(13) . . . . ?
C5_1 Fe2 Fe3_1 C1_1 48.0(3) . . . . ?
C5_1 Fe2 Fe3_1 C2_1 59.4(6) . . . . ?
C5_1 Fe2 Fe3_1 C32_1 -136.6(10) . . . . ?
C5_1 Fe2 Fe3_1 C33_1 -119.7(4) . . . . ?
C5_1 Fe2 Fe3_1 C34_1 -149.8(2) . . . . ?
C5_1 Fe2 Fe3_1 C36_1 176.0(9) . . . . ?
C5_1 C7 C8 Fe2 58.1(6) . . . . ?
C5_1 C7 C8 C9 -0.4(7) . . . . ?
C5_1 C7 C8 C1_1 24(4) . . . . ?
C5_1 C7 C8 C6_1 157.0(13) . . . . ?
C5_1 C7 C11 Fe2 -59.2(5) . . . . ?
C5_1 C7 C11 C10 0.2(6) . . . . ?
C5_1 C7 C11 C12 -176.9(6) . . . . ?
C5_1 C7 C11 C1_1 -14(2) . . . . ?
C5_1 C7 C11 C2_1 166.0(19) . . . . ?
C5_1 C7 C11 C3_1 107(3) . . . . ?
C5_1 C7 C11 C4_1 14.9(4) . . . . ?
C5_1 C7 C11 Fe3_1 -74.2(8) . . . . ?
C5_1 C7 C2_1 Fe2 -54.2(5) . . . . ?
C5_1 C7 C2_1 C11 -12.5(17) . . . . ?
C5_1 C7 C2_1 C12 -49(5) . . . . ?
C5_1 C7 C2_1 C1_1 -12(2) . . . . ?
C5_1 C7 C2_1 C3_1 6.8(11) . . . . ?
C5_1 C7 C2_1 Fe3_1 -52.1(5) . . . . ?
C5_1 C7 C6_1 Fe2 52.1(6) . . . . ?
C5_1 C7 C6_1 C8 -16.7(9) . . . . ?
C5_1 C7 C6_1 C1_1 8.4(17) . . . . ?
C5_1 C7 C6_1 C7_1 -167(3) . . . . ?
C5_1 C8 C9 Fe2 57.4(16) . . . . ?
C5_1 C8 C9 C10 -1.2(15) . . . . ?
C5_1 C8 C9 C1_1 4.5(11) . . . . ?
C5_1 C8 C9 C4_1 -13.2(11) . . . . ?
C5_1 C8 C9 Fe3_1 34.4(13) . . . . ?
C5_1 C8 C1_1 Fe2 -63.1(8) . . . . ?
C5_1 C8 C1_1 C9 -2.0(5) . . . . ?
C5_1 C8 C1_1 C10 1.9(8) . . . . ?
C5_1 C8 C1_1 C11 11(2) . . . . ?
C5_1 C8 C1_1 C2_1 63(3) . . . . ?
C5_1 C8 C1_1 C6_1 -162.6(8) . . . . ?
C5_1 C8 C1_1 Fe3_1 -44.4(9) . . . . ?
C5_1 C8 C6_1 Fe2 -32(2) . . . . ?
C5_1 C8 C6_1 C7 35(2) . . . . ?
C5_1 C8 C6_1 C1_1 24.9(15) . . . . ?
C5_1 C8 C6_1 C7_1 -153.7(16) . . . . ?
C5_1 C9 C10 Fe2 58(2) . . . . ?
C5_1 C9 C10 C11 -2(2) . . . . ?
C5_1 C9 C10 C1_1 2(2) . . . . ?
C5_1 C9 C10 C3_1 -27(2) . . . . ?
C5_1 C9 C10 Fe3_1 56(2) . . . . ?
C5_1 C9 C1_1 Fe2 -78(2) . . . . ?
C5_1 C9 C1_1 C8 172(2) . . . . ?
C5_1 C9 C1_1 C10 -2(2) . . . . ?
C5_1 C9 C1_1 C11 1(3) . . . . ?
C5_1 C9 C1_1 C2_1 13(3) . . . . ?
C5_1 C9 C1_1 C6_1 -169(2) . . . . ?
C5_1 C9 C1_1 Fe3_1 -46(2) . . . . ?
C5_1 C9 C4_1 Fe2 46.6(18) . . . . ?
C5_1 C9 C4_1 C11 0(2) . . . . ?
C5_1 C9 C4_1 C3_1 -11(2) . . . . ?
C5_1 C9 C4_1 Fe3_1 46.0(19) . . . . ?
C5_1 C10 C11 Fe2 59.6(8) . . . . ?
C5_1 C10 C11 C7 -0.3(9) . . . . ?
C5_1 C10 C11 C12 176.8(8) . . . . ?
C5_1 C10 C11 C1_1 3.9(6) . . . . ?
C5_1 C10 C11 C2_1 -39(4) . . . . ?
C5_1 C10 C11 C3_1 -152.6(17) . . . . ?
C5_1 C10 C11 C4_1 -135(3) . . . . ?
C5_1 C10 C11 Fe3_1 93.0(11) . . . . ?
C5_1 C10 C3_1 C11 31.7(19) . . . . ?
C5_1 C10 C3_1 C12 79(3) . . . . ?
C5_1 C10 C3_1 C2_1 21.3(13) . . . . ?
C5_1 C10 C3_1 C4_1 -127(3) . . . . ?
C5_1 C10 C3_1 Fe3_1 82.5(12) . . . . ?
C5_1 C10 Fe3_1 Fe2 20.9(19) . . . . ?
C5_1 C10 Fe3_1 C2 98.3(14) . . . . ?
C5_1 C10 Fe3_1 C3 67(4) . . . . ?
C5_1 C10 Fe3_1 C11 -86.0(14) . . . . ?
C5_1 C10 Fe3_1 C1_1 -36.2(10) . . . . ?
C5_1 C10 Fe3_1 C2_1 -79.8(12) . . . . ?
C5_1 C10 Fe3_1 C32_1 71.1(14) . . . . ?
C5_1 C10 Fe3_1 C33_1 115.0(12) . . . . ?
C5_1 C10 Fe3_1 C34_1 155.3(7) . . . . ?
C5_1 C10 Fe3_1 C36_1 36(2) . . . . ?
C5_1 C11 C12 C2_1 175(3) . . . . ?
C5_1 C11 C12 C3_1 46.2(18) . . . . ?
C5_1 C11 C12 Fe3_1 -66.1(16) . . . . ?
C5_1 C11 C1_1 Fe2 68.0(5) . . . . ?
C5_1 C11 C1_1 C8 -10.2(18) . . . . ?
C5_1 C11 C1_1 C9 -0.4(6) . . . . ?
C5_1 C11 C1_1 C10 2.9(5) . . . . ?
C5_1 C11 C1_1 C2_1 -163.6(12) . . . . ?
C5_1 C11 C1_1 C6_1 154.7(15) . . . . ?
C5_1 C11 C1_1 Fe3_1 75.7(8) . . . . ?
C5_1 C11 C2_1 Fe2 62.6(13) . . . . ?
C5_1 C11 C2_1 C7 17(2) . . . . ?
C5_1 C11 C2_1 C12 -178.0(10) . . . . ?
C5_1 C11 C2_1 C1_1 16.5(11) . . . . ?
C5_1 C11 C2_1 C3_1 -138(3) . . . . ?
C5_1 C11 C2_1 Fe3_1 97(2) . . . . ?
C5_1 C11 C3_1 C10 -17.6(12) . . . . ?
C5_1 C11 C3_1 C12 -166.2(5) . . . . ?
C5_1 C11 C3_1 C2_1 144(3) . . . . ?
C5_1 C11 C3_1 C4_1 -11.6(8) . . . . ?
C5_1 C11 C3_1 Fe3_1 -86.1(16) . . . . ?
C5_1 C11 C4_1 Fe2 -46.6(3) . . . . ?
C5_1 C11 C4_1 C9 0.1(7) . . . . ?
C5_1 C11 C4_1 C3_1 166.4(10) . . . . ?
C5_1 C11 C4_1 Fe3_1 -78.4(7) . . . . ?
C5_1 C11 Fe3_1 Fe2 -40.3(13) . . . . ?
C5_1 C11 Fe3_1 C3 -130.1(15) . . . . ?
C5_1 C11 Fe3_1 C10 37.6(7) . . . . ?
C5_1 C11 Fe3_1 C1_1 -52.8(7) . . . . ?
C5_1 C11 Fe3_1 C2_1 -126(2) . . . . ?
C5_1 C11 Fe3_1 C32_1 -29(2) . . . . ?
C5_1 C11 Fe3_1 C33_1 85.4(17) . . . . ?
C5_1 C11 Fe3_1 C34_1 148.8(4) . . . . ?
C5_1 C11 Fe3_1 C36_1 -104.5(9) . . . . ?
C5_1 C1_1 C2_1 Fe2 -68.6(5) . . . . ?
C5_1 C1_1 C2_1 C7 163(3) . . . . ?
C5_1 C1_1 C2_1 C11 -16.8(12) . . . . ?
C5_1 C1_1 C2_1 C12 -39.7(15) . . . . ?
C5_1 C1_1 C2_1 C3_1 0.2 . . . . ?
C5_1 C1_1 C2_1 Fe3_1 -59.3 . . . . ?
C5_1 C1_1 C6_1 Fe2 67.1(5) . . . . ?
C5_1 C1_1 C6_1 C7 -167(3) . . . . ?
C5_1 C1_1 C6_1 C8 -18.5(9) . . . . ?
C6_1 C7 C8 Fe2 -98.9(8) . . . . ?
C6_1 C7 C8 C9 -157.4(9) . . . . ?
C6_1 C7 C8 C1_1 -133(5) . . . . ?
C6_1 C7 C8 C5_1 -157.0(13) . . . . ?
C6_1 C7 C11 Fe2 -7(3) . . . . ?
C6_1 C7 C11 C10 53(3) . . . . ?
C6_1 C7 C11 C12 -124(3) . . . . ?
C6_1 C7 C11 C1_1 38.8(18) . . . . ?
C6_1 C7 C11 C2_1 -141(4) . . . . ?
C6_1 C7 C11 C3_1 159(5) . . . . ?
C6_1 C7 C11 C4_1 68(3) . . . . ?
C6_1 C7 C11 C5_1 53(3) . . . . ?
C6_1 C7 C11 Fe3_1 -22(2) . . . . ?
C6_1 C7 C2_1 Fe2 97(3) . . . . ?
C6_1 C7 C2_1 C11 138(3) . . . . ?
C6_1 C7 C2_1 C12 102(5) . . . . ?
C6_1 C7 C2_1 C1_1 139(6) . . . . ?
C6_1 C7 C2_1 C3_1 158(3) . . . . ?
C6_1 C7 C2_1 Fe3_1 99(3) . . . . ?
C6_1 C7 C5_1 Fe2 -77.7(10) . . . . ?
C6_1 C7 C5_1 C8 20.0(11) . . . . ?
C6_1 C7 C5_1 C9 21(3) . . . . ?
C6_1 C7 C5_1 C10 -161.2(9) . . . . ?
C6_1 C7 C5_1 C11 -160.9(8) . . . . ?
C6_1 C7 C5_1 C1_1 -27(6) . . . . ?
C6_1 C7 C5_1 C4_1 -175.4(7) . . . . ?
C6_1 C7 C5_1 Fe3_1 -112.3(9) . . . . ?
C6_1 C8 C9 Fe2 3(2) . . . . ?
C6_1 C8 C9 C10 -56(2) . . . . ?
C6_1 C8 C9 C1_1 -50(2) . . . . ?
C6_1 C8 C9 C4_1 -68(2) . . . . ?
C6_1 C8 C9 C5_1 -55(2) . . . . ?
C6_1 C8 C9 Fe3_1 -20(2) . . . . ?
C6_1 C8 C1_1 Fe2 99.6(6) . . . . ?
C6_1 C8 C1_1 C9 160.7(7) . . . . ?
C6_1 C8 C1_1 C10 164.5(3) . . . . ?
C6_1 C8 C1_1 C11 173.8(13) . . . . ?
C6_1 C8 C1_1 C2_1 -135(3) . . . . ?
C6_1 C8 C1_1 C5_1 162.6(8) . . . . ?
C6_1 C8 C1_1 Fe3_1 118.2(6) . . . . ?
C6_1 C8 C5_1 Fe2 39(2) . . . . ?
C6_1 C8 C5_1 C7 -30(2) . . . . ?
C6_1 C8 C5_1 C9 150.8(13) . . . . ?
C6_1 C8 C5_1 C10 -33(5) . . . . ?
C6_1 C8 C5_1 C11 -31(2) . . . . ?
C6_1 C8 C5_1 C1_1 -24.4(15) . . . . ?
C6_1 C8 C5_1 C4_1 -61(3) . . . . ?
C6_1 C8 C5_1 Fe3_1 16(2) . . . . ?
C6_1 C1_1 C2_1 Fe2 110.0(5) . . . . ?
C6_1 C1_1 C2_1 C7 -18(3) . . . . ?
C6_1 C1_1 C2_1 C11 161.8(12) . . . . ?
C6_1 C1_1 C2_1 C12 138.9(15) . . . . ?
C6_1 C1_1 C2_1 C3_1 178.8 . . . . ?
C6_1 C1_1 C2_1 Fe3_1 119.3 . . . . ?
C6_1 C1_1 C5_1 Fe2 -84.1(6) . . . . ?
C6_1 C1_1 C5_1 C7 148(6) . . . . ?
C6_1 C1_1 C5_1 C8 19.1(10) . . . . ?
C6_1 C1_1 C5_1 C9 13(2) . . . . ?
C6_1 C1_1 C5_1 C10 -164.7(10) . . . . ?
C6_1 C1_1 C5_1 C11 -168.9(7) . . . . ?
C6_1 C1_1 C5_1 C4_1 -179.2 . . . . ?
C6_1 C1_1 C5_1 Fe3_1 -119.1 . . . . ?
C7_1 C8_1 C9_1 C10_1 -175.3 . . . . ?
C7_1 C8_1 C9_1 Fe1_1 125.5 . . . . ?
C7_1 C8_1 C12_1 C11_1 174.8 . . . . ?
C7_1 C8_1 C12_1 Fe1_1 -125.8 . . . . ?
C8_1 C9_1 C10_1 C11_1 0.4 . . . . ?
C8_1 C9_1 C10_1 Fe1_1 -59.3 . . . . ?
C9_1 C8_1 C12_1 C11_1 -0.7 . . . . ?
C9_1 C8_1 C12_1 Fe1_1 58.8 . . . . ?
C9_1 C10_1 C11_1 C12_1 -0.8 . . . . ?
C9_1 C10_1 C11_1 Fe1_1 -59.7 . . . . ?
C10_1 C11_1 C12_1 C8_1 0.9 . . . . ?
C10_1 C11_1 C12_1 Fe1_1 -58.7 . . . . ?
C12_1 C8_1 C9_1 C10_1 0.2 . . . . ?
C12_1 C8_1 C9_1 Fe1_1 -58.9 . . . . ?
C13_1 C14_1 C15_1 C16_1 -0.4 . . . . ?
C13_1 C14_1 C15_1 Fe1_1 -59.4 . . . . ?
C14_1 C13_1 C17_1 C16_1 -0.7 . . . . ?
C14_1 C13_1 C17_1 Fe1_1 58.5 . . . . ?
C14_1 C15_1 C16_1 C17_1 0.0 . . . . ?
C14_1 C15_1 C16_1 Fe1_1 -59.3 . . . . ?
C15_1 C16_1 C17_1 C13_1 0.4 . . . . ?
C15_1 C16_1 C17_1 Fe1_1 -59.1 . . . . ?
C17_1 C13_1 C14_1 C15_1 0.6 . . . . ?
C17_1 C13_1 C14_1 Fe1_1 -58.6 . . . . ?
C18_1 C13_1 C14_1 C15_1 -178.2 . . . . ?
C18_1 C13_1 C14_1 Fe1_1 122.6 . . . . ?
C18_1 C13_1 C17_1 C16_1 178.1 . . . . ?
C18_1 C13_1 C17_1 Fe1_1 -122.7 . . . . ?
C19_1 C20_1 C21_1 C22_1 178.8 . . . . ?
C19_1 C20_1 C21_1 Fe2_1 118.8 . . . . ?
C19_1 C20_1 C24_1 C23_1 -178.3 . . . . ?
C19_1 C20_1 C24_1 Fe2_1 -118.5 . . . . ?
C20_1 C21_1 C22_1 C23_1 -0.9 . . . . ?
C20_1 C21_1 C22_1 Fe2_1 -59.1 . . . . ?
C21_1 C20_1 C24_1 C23_1 -0.1 . . . . ?
C21_1 C20_1 C24_1 Fe2_1 59.7 . . . . ?
C21_1 C22_1 C23_1 C24_1 0.8 . . . . ?
C21_1 C22_1 C23_1 Fe2_1 -58.1 . . . . ?
C22_1 C23_1 C24_1 C20_1 -0.5 . . . . ?
C22_1 C23_1 C24_1 Fe2_1 -59.9 . . . . ?
C24_1 C20_1 C21_1 C22_1 0.6 . . . . ?
C24_1 C20_1 C21_1 Fe2_1 -59.3 . . . . ?
C25_1 C26_1 C27_1 C28_1 0.2 . . . . ?
C25_1 C26_1 C27_1 Fe2_1 -58.4 . . . . ?
C26_1 C25_1 C29_1 C28_1 0.7 . . . . ?
C26_1 C25_1 C29_1 Fe2_1 59.5 . . . . ?
C26_1 C27_1 C28_1 C29_1 0.2 . . . . ?
C26_1 C27_1 C28_1 Fe2_1 -58.5 . . . . ?
C27_1 C28_1 C29_1 C25_1 -0.6 . . . . ?
C27_1 C28_1 C29_1 Fe2_1 -58.8 . . . . ?
C29_1 C25_1 C26_1 C27_1 -0.5 . . . . ?
C29_1 C25_1 C26_1 Fe2_1 -59.5 . . . . ?
C30_1 C6 C31_1 Fe2 -131(3) . . . . ?
C30_1 C6 C31_1 C5 172(4) . . . . ?
C30_1 C6 C31_1 C32_1 -178.43(13) . . . . ?
C30_1 C6 C32_1 Fe2 -63(4) . . . . ?
C30_1 C6 C32_1 C2 178(2) . . . . ?
C30_1 C6 C32_1 C3 39(9) . . . . ?
C30_1 C6 C32_1 C4 14(5) . . . . ?
C30_1 C6 C32_1 C5 10(4) . . . . ?
C30_1 C6 C32_1 C31_1 0.75(7) . . . . ?
C30_1 C6 C32_1 C33_1 -169(4) . . . . ?
C30_1 C6 C32_1 C36_1 18(6) . . . . ?
C30_1 C6 C32_1 Fe3_1 -91(4) . . . . ?
C30_1 C6 C33_1 Fe2 116(3) . . . . ?
C30_1 C6 C33_1 C1 -50(8) . . . . ?
C30_1 C6 C33_1 C2 -175(2) . . . . ?
C30_1 C6 C33_1 C3 174(2) . . . . ?
C30_1 C6 C33_1 C32_1 168(4) . . . . ?
C30_1 C6 C33_1 C34_1 173(2) . . . . ?
C30_1 C6 C33_1 Fe3_1 118(3) . . . . ?
C30_1 C25_1 C26_1 C27_1 178.2 . . . . ?
C30_1 C25_1 C26_1 Fe2_1 119.2 . . . . ?
C30_1 C25_1 C29_1 C28_1 -178.0 . . . . ?
C30_1 C25_1 C29_1 Fe2_1 -119.2 . . . . ?
C31_1 C5 C6 Fe2 120.3(16) . . . . ?
C31_1 C5 C6 C2 179.8(17) . . . . ?
C31_1 C5 C6 C30_1 -1.8(9) . . . . ?
C31_1 C5 C6 C32_1 174(3) . . . . ?
C31_1 C5 C6 C33_1 173(2) . . . . ?
C31_1 C5 C32_1 Fe2 108.1(6) . . . . ?
C31_1 C5 C32_1 C2 -153(5) . . . . ?
C31_1 C5 C32_1 C3 -176.0(5) . . . . ?
C31_1 C5 C32_1 C4 -178.2(6) . . . . ?
C31_1 C5 C32_1 C6 -3.6(16) . . . . ?
C31_1 C5 C32_1 C36_1 -178.7(6) . . . . ?
C31_1 C5 C32_1 Fe3_1 120.4(4) . . . . ?
C31_1 C5 C36_1 Fe2 69.5(11) . . . . ?
C31_1 C5 C36_1 C2 -2.9(13) . . . . ?
C31_1 C5 C36_1 C3 -10(4) . . . . ?
C31_1 C5 C36_1 C4 -177.7(10) . . . . ?
C31_1 C5 C36_1 C32_1 1.3(6) . . . . ?
C31_1 C5 C36_1 C35_1 2(3) . . . . ?
C31_1 C5 C36_1 Fe3_1 57.1(10) . . . . ?
C31_1 C6 C32_1 Fe2 -64(4) . . . . ?
C31_1 C6 C32_1 C2 177(2) . . . . ?
C31_1 C6 C32_1 C3 38(9) . . . . ?
C31_1 C6 C32_1 C4 13(5) . . . . ?
C31_1 C6 C32_1 C5 9(4) . . . . ?
C31_1 C6 C32_1 C33_1 -170(4) . . . . ?
C31_1 C6 C32_1 C36_1 17(6) . . . . ?
C31_1 C6 C32_1 Fe3_1 -91(4) . . . . ?
C31_1 C6 C33_1 Fe2 99(8) . . . . ?
C31_1 C6 C33_1 C1 -67(11) . . . . ?
C31_1 C6 C33_1 C2 168(7) . . . . ?
C31_1 C6 C33_1 C3 157(8) . . . . ?
C31_1 C6 C33_1 C32_1 151(9) . . . . ?
C31_1 C6 C33_1 C34_1 156(7) . . . . ?
C31_1 C6 C33_1 Fe3_1 101(8) . . . . ?
C31_1 C32_1 C33_1 Fe2 106.8(6) . . . . ?
C31_1 C32_1 C33_1 C1 -105(7) . . . . ?
C31_1 C32_1 C33_1 C2 -154(3) . . . . ?
C31_1 C32_1 C33_1 C3 -176.7(6) . . . . ?
C31_1 C32_1 C33_1 C6 -3.9(14) . . . . ?
C31_1 C32_1 C33_1 C34_1 179.8 . . . . ?
C31_1 C32_1 C33_1 Fe3_1 120.6 . . . . ?
C31_1 C32_1 C36_1 Fe2 -85.7(6) . . . . ?
C31_1 C32_1 C36_1 C2 170.6(11) . . . . ?
C31_1 C32_1 C36_1 C3 171.8(16) . . . . ?
C31_1 C32_1 C36_1 C4 -0.4(12) . . . . ?
C31_1 C32_1 C36_1 C5 -1.3(6) . . . . ?
C31_1 C32_1 C36_1 C35_1 179.0 . . . . ?
C31_1 C32_1 C36_1 Fe3_1 -120.3 . . . . ?
C32_1 Fe2 C5_1 C7 -173.2(11) . . . . ?
C32_1 Fe2 C5_1 C8 136.8(12) . . . . ?
C32_1 Fe2 C5_1 C9 53(4) . . . . ?
C32_1 Fe2 C5_1 C10 -69(2) . . . . ?
C32_1 Fe2 C5_1 C11 -122.9(13) . . . . ?
C32_1 Fe2 C5_1 C1_1 -177.9(17) . . . . ?
C32_1 Fe2 C5_1 C4_1 -73.6(15) . . . . ?
C32_1 Fe2 C5_1 Fe3_1 -89.1(16) . . . . ?
C32_1 Fe2 C36_1 C2 31.4(9) . . . . ?
C32_1 Fe2 C36_1 C3 84(2) . . . . ?
C32_1 Fe2 C36_1 C4 -104.5(14) . . . . ?
C32_1 Fe2 C36_1 C5 -59.6(7) . . . . ?
C32_1 Fe2 C36_1 C35_1 103.8(3) . . . . ?
C32_1 Fe2 C36_1 Fe3_1 97.1(8) . . . . ?
C32_1 Fe2 Fe3_1 C2 1.2(10) . . . . ?
C32_1 Fe2 Fe3_1 C3 -43.4(9) . . . . ?
C32_1 Fe2 Fe3_1 C10 124.6(6) . . . . ?
C32_1 Fe2 Fe3_1 C11 174.8(6) . . . . ?
C32_1 Fe2 Fe3_1 C1_1 -175.4(10) . . . . ?
C32_1 Fe2 Fe3_1 C2_1 -164.0(4) . . . . ?
C32_1 Fe2 Fe3_1 C5_1 136.6(10) . . . . ?
C32_1 Fe2 Fe3_1 C33_1 16.8(6) . . . . ?
C32_1 Fe2 Fe3_1 C34_1 -13.3(11) . . . . ?
C32_1 Fe2 Fe3_1 C36_1 -47.4(3) . . . . ?
C32_1 C2 C3 Fe2 -54.5(10) . . . . ?
C32_1 C2 C3 C4 6.0(11) . . . . ?
C32_1 C2 C3 C33_1 -153(3) . . . . ?
C32_1 C2 C3 C34_1 -166.2(16) . . . . ?
C32_1 C2 C3 C35_1 -167(2) . . . . ?
C32_1 C2 C3 C36_1 1.2(11) . . . . ?
C32_1 C2 C3 Fe3_1 -88.9(11) . . . . ?
C32_1 C2 C6 Fe2 48(2) . . . . ?
C32_1 C2 C6 C5 -12(2) . . . . ?
C32_1 C2 C6 C33_1 153(4) . . . . ?
C32_1 C2 C33_1 Fe2 60(2) . . . . ?
C32_1 C2 C33_1 C1 -160(2) . . . . ?
C32_1 C2 C33_1 C3 142(4) . . . . ?
C32_1 C2 C33_1 C6 -16(2) . . . . ?
C32_1 C2 C33_1 C34_1 155(3) . . . . ?
C32_1 C2 C33_1 Fe3_1 85(3) . . . . ?
C32_1 C2 C34_1 C1 -157(3) . . . . ?
C32_1 C2 C34_1 C3 29(4) . . . . ?
C32_1 C2 C34_1 C33_1 -141(5) . . . . ?
C32_1 C2 C34_1 C35_1 30(4) . . . . ?
C32_1 C2 C34_1 Fe3_1 -43(4) . . . . ?
C32_1 C2 C36_1 Fe2 -63.3(11) . . . . ?
C32_1 C2 C36_1 C3 -178.6(13) . . . . ?
C32_1 C2 C36_1 C4 12(3) . . . . ?
C32_1 C2 C36_1 C5 6.6(13) . . . . ?
C32_1 C2 C36_1 C35_1 -171.9(11) . . . . ?
C32_1 C2 C36_1 Fe3_1 -96.9(10) . . . . ?
C32_1 C3 C4 Fe2 -56.5(5) . . . . ?
C32_1 C3 C4 C5 2.4(6) . . . . ?
C32_1 C3 C4 C36_1 -26(11) . . . . ?
C32_1 C3 C34_1 C1 -13.3(14) . . . . ?
C32_1 C3 C34_1 C2 -7.2(8) . . . . ?
C32_1 C3 C34_1 C33_1 -2.7(5) . . . . ?
C32_1 C3 C34_1 C35_1 174.1(15) . . . . ?
C32_1 C3 C34_1 Fe3_1 69.9(5) . . . . ?
C32_1 C3 C35_1 C2 -10.8(18) . . . . ?
C32_1 C3 C35_1 C34_1 -10(3) . . . . ?
C32_1 C3 C35_1 C36_1 148(6) . . . . ?
C32_1 C3 C35_1 Fe3_1 54(2) . . . . ?
C32_1 C3 C36_1 Fe2 -60.1(9) . . . . ?
C32_1 C3 C36_1 C2 0.7(6) . . . . ?
C32_1 C3 C36_1 C4 152(11) . . . . ?
C32_1 C3 C36_1 C5 9(3) . . . . ?
C32_1 C3 C36_1 C35_1 -159(4) . . . . ?
C32_1 C3 C36_1 Fe3_1 -67.5(8) . . . . ?
C32_1 C4 C5 Fe2 -55.8(6) . . . . ?
C32_1 C4 C5 C6 2.8(6) . . . . ?
C32_1 C4 C5 C31_1 2.5(9) . . . . ?
C32_1 C4 C5 C36_1 -0.8(8) . . . . ?
C32_1 C4 C36_1 Fe2 60.4(5) . . . . ?
C32_1 C4 C36_1 C2 -6.3(13) . . . . ?
C32_1 C4 C36_1 C3 -151(12) . . . . ?
C32_1 C4 C36_1 C5 0.9(9) . . . . ?
C32_1 C4 C36_1 C35_1 -179(100) . . . . ?
C32_1 C4 C36_1 Fe3_1 73.9(8) . . . . ?
C32_1 C5 C6 Fe2 -53.7(11) . . . . ?
C32_1 C5 C6 C2 5.8(11) . . . . ?
C32_1 C5 C6 C30_1 -175.7(18) . . . . ?
C32_1 C5 C6 C31_1 -174(3) . . . . ?
C32_1 C5 C6 C33_1 -1.2(6) . . . . ?
C32_1 C5 C31_1 Fe2 -50.4(3) . . . . ?
C32_1 C5 C31_1 C6 3.4(15) . . . . ?
C32_1 C5 C31_1 C30_1 -179.5 . . . . ?
C32_1 C5 C36_1 Fe2 68.2(6) . . . . ?
C32_1 C5 C36_1 C2 -4.1(8) . . . . ?
C32_1 C5 C36_1 C3 -12(3) . . . . ?
C32_1 C5 C36_1 C4 -178.9(10) . . . . ?
C32_1 C5 C36_1 C35_1 1(2) . . . . ?
C32_1 C5 C36_1 Fe3_1 55.9(4) . . . . ?
C32_1 C6 C31_1 Fe2 48(3) . . . . ?
C32_1 C6 C31_1 C5 -10(4) . . . . ?
C32_1 C6 C31_1 C30_1 178.43(13) . . . . ?
C32_1 C6 C33_1 Fe2 -51.8(12) . . . . ?
C32_1 C6 C33_1 C1 142(5) . . . . ?
C32_1 C6 C33_1 C2 17(2) . . . . ?
C32_1 C6 C33_1 C3 5.7(14) . . . . ?
C32_1 C6 C33_1 C34_1 4.8(18) . . . . ?
C32_1 C6 C33_1 Fe3_1 -50.6(12) . . . . ?
C32_1 C33_1 C34_1 C1 163.9(18) . . . . ?
C32_1 C33_1 C34_1 C2 10.5(12) . . . . ?
C32_1 C33_1 C34_1 C3 3.1(5) . . . . ?
C32_1 C33_1 C34_1 C35_1 1.4 . . . . ?
C32_1 C33_1 C34_1 Fe3_1 -58.4 . . . . ?
C33_1 C1 C2 Fe2 -47(5) . . . . ?
C33_1 C1 C2 C3 -135(5) . . . . ?
C33_1 C1 C2 C6 42(5) . . . . ?
C33_1 C1 C2 C32_1 30(4) . . . . ?
C33_1 C1 C2 C34_1 -128(5) . . . . ?
C33_1 C1 C2 C35_1 -133(5) . . . . ?
C33_1 C1 C2 C36_1 -132(5) . . . . ?
C33_1 C1 C2 Fe3_1 -67(5) . . . . ?
C33_1 C1 C34_1 C2 14.4(16) . . . . ?
C33_1 C1 C34_1 C3 20(2) . . . . ?
C33_1 C1 C34_1 C35_1 25(3) . . . . ?
C33_1 C1 C34_1 Fe3_1 -39.2(16) . . . . ?
C33_1 C2 C3 Fe2 99(2) . . . . ?
C33_1 C2 C3 C4 159(2) . . . . ?
C33_1 C2 C3 C32_1 153(3) . . . . ?
C33_1 C2 C3 C34_1 -13.0(17) . . . . ?
C33_1 C2 C3 C35_1 -14(2) . . . . ?
C33_1 C2 C3 C36_1 154(3) . . . . ?
C33_1 C2 C3 Fe3_1 64(2) . . . . ?
C33_1 C2 C6 Fe2 -105.1(14) . . . . ?
C33_1 C2 C6 C5 -165.2(14) . . . . ?
C33_1 C2 C6 C32_1 -153(4) . . . . ?
C33_1 C2 C32_1 Fe2 -85(3) . . . . ?
C33_1 C2 C32_1 C3 -155(3) . . . . ?
C33_1 C2 C32_1 C4 -160(2) . . . . ?
C33_1 C2 C32_1 C5 180(2) . . . . ?
C33_1 C2 C32_1 C6 36(5) . . . . ?
C33_1 C2 C32_1 C31_1 37(4) . . . . ?
C33_1 C2 C32_1 C36_1 -156(3) . . . . ?
C33_1 C2 C32_1 Fe3_1 -87(3) . . . . ?
C33_1 C2 C34_1 C1 -16.2(17) . . . . ?
C33_1 C2 C34_1 C3 170.6(11) . . . . ?
C33_1 C2 C34_1 C35_1 171.2(11) . . . . ?
C33_1 C2 C34_1 Fe3_1 98.4(12) . . . . ?
C33_1 C2 C36_1 Fe2 71(5) . . . . ?
C33_1 C2 C36_1 C3 -44(5) . . . . ?
C33_1 C2 C36_1 C4 147(4) . . . . ?
C33_1 C2 C36_1 C5 141(5) . . . . ?
C33_1 C2 C36_1 C32_1 135(5) . . . . ?
C33_1 C2 C36_1 C35_1 -37(5) . . . . ?
C33_1 C2 C36_1 Fe3_1 38(4) . . . . ?
C33_1 C3 C4 Fe2 -54.1(6) . . . . ?
C33_1 C3 C4 C5 4.9(7) . . . . ?
C33_1 C3 C4 C32_1 2.5(3) . . . . ?
C33_1 C3 C4 C36_1 -24(11) . . . . ?
C33_1 C3 C32_1 Fe2 -101.0(4) . . . . ?
C33_1 C3 C32_1 C2 8.9(11) . . . . ?
C33_1 C3 C32_1 C4 -177.0(4) . . . . ?
C33_1 C3 C32_1 C5 -179.1(6) . . . . ?
C33_1 C3 C32_1 C6 153(6) . . . . ?
C33_1 C3 C32_1 C31_1 175.0(9) . . . . ?
C33_1 C3 C32_1 C36_1 -172.4(15) . . . . ?
C33_1 C3 C32_1 Fe3_1 -69.9(4) . . . . ?
C33_1 C3 C34_1 C1 -10.6(11) . . . . ?
C33_1 C3 C34_1 C2 -4.5(6) . . . . ?
C33_1 C3 C34_1 C35_1 176.8(10) . . . . ?
C33_1 C3 C34_1 Fe3_1 72.6(4) . . . . ?
C33_1 C3 C35_1 C2 -3.4(5) . . . . ?
C33_1 C3 C35_1 C34_1 -2.2(7) . . . . ?
C33_1 C3 C35_1 C36_1 155(5) . . . . ?
C33_1 C3 C35_1 Fe3_1 61.9(6) . . . . ?
C33_1 C3 C36_1 Fe2 -54.4(18) . . . . ?
C33_1 C3 C36_1 C2 6.5(8) . . . . ?
C33_1 C3 C36_1 C4 158(10) . . . . ?
C33_1 C3 C36_1 C5 15(4) . . . . ?
C33_1 C3 C36_1 C32_1 5.8(12) . . . . ?
C33_1 C3 C36_1 C35_1 -153(5) . . . . ?
C33_1 C3 C36_1 Fe3_1 -61.7(9) . . . . ?
C33_1 C6 C31_1 Fe2 -96(8) . . . . ?
C33_1 C6 C31_1 C5 -154(7) . . . . ?
C33_1 C6 C31_1 C30_1 35(11) . . . . ?
C33_1 C6 C31_1 C32_1 -144(11) . . . . ?
C33_1 C6 C32_1 Fe2 106.2(11) . . . . ?
C33_1 C6 C32_1 C2 -13(2) . . . . ?
C33_1 C6 C32_1 C3 -152(7) . . . . ?
C33_1 C6 C32_1 C4 -176.7(15) . . . . ?
C33_1 C6 C32_1 C5 178.7(6) . . . . ?
C33_1 C6 C32_1 C31_1 170(4) . . . . ?
C33_1 C6 C32_1 C36_1 -173(2) . . . . ?
C33_1 C6 C32_1 Fe3_1 78.5(12) . . . . ?
C33_1 C32_1 C36_1 Fe2 94.6(6) . . . . ?
C33_1 C32_1 C36_1 C2 -9.1(11) . . . . ?
C33_1 C32_1 C36_1 C3 -7.9(16) . . . . ?
C33_1 C32_1 C36_1 C4 179.8(12) . . . . ?
C33_1 C32_1 C36_1 C5 179.0(6) . . . . ?
C33_1 C32_1 C36_1 C35_1 -0.8 . . . . ?
C33_1 C32_1 C36_1 Fe3_1 60.0 . . . . ?
C33_1 C34_1 C35_1 C2 4.3(6) . . . . ?
C33_1 C34_1 C35_1 C3 3.3(10) . . . . ?
C33_1 C34_1 C35_1 C36_1 -1.9 . . . . ?
C33_1 C34_1 C35_1 Fe3_1 -59.2 . . . . ?
C34_1 C1 C2 Fe2 80.5(9) . . . . ?
C34_1 C1 C2 C3 -7.9(9) . . . . ?
C34_1 C1 C2 C6 169.6(9) . . . . ?
C34_1 C1 C2 C32_1 158(3) . . . . ?
C34_1 C1 C2 C33_1 128(5) . . . . ?
C34_1 C1 C2 C35_1 -5.5(5) . . . . ?
C34_1 C1 C2 C36_1 -4.1(9) . . . . ?
C34_1 C1 C2 Fe3_1 60.9(8) . . . . ?
C34_1 C1 C33_1 Fe2 55(4) . . . . ?
C34_1 C1 C33_1 C2 -48(5) . . . . ?
C34_1 C1 C33_1 C3 -20(2) . . . . ?
C34_1 C1 C33_1 C6 -146(5) . . . . ?
C34_1 C1 C33_1 C32_1 -80(7) . . . . ?
C34_1 C1 C33_1 Fe3_1 48.0(18) . . . . ?
C34_1 C2 C3 Fe2 111.7(7) . . . . ?
C34_1 C2 C3 C4 172.2(8) . . . . ?
C34_1 C2 C3 C32_1 166.2(16) . . . . ?
C34_1 C2 C3 C33_1 13.0(17) . . . . ?
C34_1 C2 C3 C35_1 -1.1(9) . . . . ?
C34_1 C2 C3 C36_1 167(2) . . . . ?
C34_1 C2 C3 Fe3_1 77.4(8) . . . . ?
C34_1 C2 C32_1 Fe2 42(4) . . . . ?
C34_1 C2 C32_1 C3 -28(4) . . . . ?
C34_1 C2 C32_1 C4 -33(4) . . . . ?
C34_1 C2 C32_1 C5 -53(7) . . . . ?
C34_1 C2 C32_1 C6 162.9(18) . . . . ?
C34_1 C2 C32_1 C31_1 165(2) . . . . ?
C34_1 C2 C32_1 C33_1 127(5) . . . . ?
C34_1 C2 C32_1 C36_1 -29(4) . . . . ?
C34_1 C2 C32_1 Fe3_1 40(3) . . . . ?
C34_1 C2 C33_1 Fe2 -95.4(10) . . . . ?
C34_1 C2 C33_1 C1 44(5) . . . . ?
C34_1 C2 C33_1 C3 -13.4(17) . . . . ?
C34_1 C2 C33_1 C6 -171.1(8) . . . . ?
C34_1 C2 C33_1 C32_1 -155(3) . . . . ?
C34_1 C2 C33_1 Fe3_1 -70.2(6) . . . . ?
C34_1 C2 C36_1 Fe2 103.4(7) . . . . ?
C34_1 C2 C36_1 C3 -12(2) . . . . ?
C34_1 C2 C36_1 C4 178.8(15) . . . . ?
C34_1 C2 C36_1 C5 173.2(5) . . . . ?
C34_1 C2 C36_1 C32_1 166.7(15) . . . . ?
C34_1 C2 C36_1 C35_1 -5.2(5) . . . . ?
C34_1 C2 C36_1 Fe3_1 69.8(6) . . . . ?
C34_1 C3 C4 Fe2 -36(3) . . . . ?
C34_1 C3 C4 C5 23(3) . . . . ?
C34_1 C3 C4 C32_1 20(2) . . . . ?
C34_1 C3 C4 C36_1 -6(9) . . . . ?
C34_1 C3 C32_1 Fe2 -98.3(6) . . . . ?
C34_1 C3 C32_1 C2 11.6(14) . . . . ?
C34_1 C3 C32_1 C4 -174.3(6) . . . . ?
C34_1 C3 C32_1 C5 -176.5(5) . . . . ?
C34_1 C3 C32_1 C6 156(6) . . . . ?
C34_1 C3 C32_1 C31_1 177.7(5) . . . . ?
C34_1 C3 C32_1 C33_1 2.7(5) . . . . ?
C34_1 C3 C32_1 C36_1 -170(2) . . . . ?
C34_1 C3 C32_1 Fe3_1 -67.3(5) . . . . ?
C34_1 C3 C35_1 C2 -1.2(9) . . . . ?
C34_1 C3 C35_1 C36_1 157(4) . . . . ?
C34_1 C3 C35_1 Fe3_1 64.2(7) . . . . ?
C34_1 C3 C36_1 Fe2 -36(6) . . . . ?
C34_1 C3 C36_1 C2 25(5) . . . . ?
C34_1 C3 C36_1 C4 176(6) . . . . ?
C34_1 C3 C36_1 C5 33(7) . . . . ?
C34_1 C3 C36_1 C32_1 24(5) . . . . ?
C34_1 C3 C36_1 C35_1 -135(8) . . . . ?
C34_1 C3 C36_1 Fe3_1 -44(5) . . . . ?
C34_1 C35_1 C36_1 Fe2 -61.5(5) . . . . ?
C34_1 C35_1 C36_1 C2 6.0(6) . . . . ?
C34_1 C35_1 C36_1 C3 24(4) . . . . ?
C34_1 C35_1 C36_1 C4 -179(2) . . . . ?
C34_1 C35_1 C36_1 C5 1.0(17) . . . . ?
C34_1 C35_1 C36_1 C32_1 1.7 . . . . ?
C34_1 C35_1 C36_1 Fe3_1 -57.7 . . . . ?
C35_1 C2 C3 Fe2 112.9(13) . . . . ?
C35_1 C2 C3 C4 173.3(14) . . . . ?
C35_1 C2 C3 C32_1 167(2) . . . . ?
C35_1 C2 C3 C33_1 14(2) . . . . ?
C35_1 C2 C3 C34_1 1.1(8) . . . . ?
C35_1 C2 C3 C36_1 169(3) . . . . ?
C35_1 C2 C3 Fe3_1 78.5(14) . . . . ?
C35_1 C2 C6 Fe2 54.9(8) . . . . ?
C35_1 C2 C6 C5 -5.2(9) . . . . ?
C35_1 C2 C6 C32_1 7(2) . . . . ?
C35_1 C2 C6 C33_1 160(2) . . . . ?
C35_1 C2 C32_1 Fe2 64.4(14) . . . . ?
C35_1 C2 C32_1 C3 -5.6(9) . . . . ?
C35_1 C2 C32_1 C4 -10.4(17) . . . . ?
C35_1 C2 C32_1 C5 -31(5) . . . . ?
C35_1 C2 C32_1 C6 -174.5(17) . . . . ?
C35_1 C2 C32_1 C31_1 -172.8(8) . . . . ?
C35_1 C2 C32_1 C33_1 150(3) . . . . ?
C35_1 C2 C32_1 C36_1 -6.1(8) . . . . ?
C35_1 C2 C32_1 Fe3_1 62.8(7) . . . . ?
C35_1 C2 C33_1 Fe2 -88.4(13) . . . . ?
C35_1 C2 C33_1 C1 51(5) . . . . ?
C35_1 C2 C33_1 C3 -6.4(10) . . . . ?
C35_1 C2 C33_1 C6 -164.1(16) . . . . ?
C35_1 C2 C33_1 C32_1 -148(4) . . . . ?
C35_1 C2 C33_1 C34_1 7.0(9) . . . . ?
C35_1 C2 C33_1 Fe3_1 -63.2(9) . . . . ?
C35_1 C2 C34_1 C1 172.6(7) . . . . ?
C35_1 C2 C34_1 C3 -0.6(5) . . . . ?
C35_1 C2 C34_1 C33_1 -171.2(11) . . . . ?
C35_1 C2 C34_1 Fe3_1 -72.8(4) . . . . ?
C35_1 C2 C36_1 Fe2 108.7(4) . . . . ?
C35_1 C2 C36_1 C3 -6.7(17) . . . . ?
C35_1 C2 C36_1 C4 -176.0(18) . . . . ?
C35_1 C2 C36_1 C5 178.5(4) . . . . ?
C35_1 C2 C36_1 C32_1 171.9(11) . . . . ?
C35_1 C2 C36_1 Fe3_1 75.0(4) . . . . ?
C35_1 C3 C4 Fe2 110.4(19) . . . . ?
C35_1 C3 C4 C5 169.3(19) . . . . ?
C35_1 C3 C4 C32_1 167(2) . . . . ?
C35_1 C3 C4 C36_1 140(13) . . . . ?
C35_1 C3 C32_1 Fe2 -91(3) . . . . ?
C35_1 C3 C32_1 C2 19(3) . . . . ?
C35_1 C3 C32_1 C4 -167(2) . . . . ?
C35_1 C3 C32_1 C5 -169(2) . . . . ?
C35_1 C3 C32_1 C6 164(5) . . . . ?
C35_1 C3 C32_1 C31_1 -174.5(16) . . . . ?
C35_1 C3 C32_1 C33_1 10(3) . . . . ?
C35_1 C3 C32_1 C36_1 -162(4) . . . . ?
C35_1 C3 C32_1 Fe3_1 -59(2) . . . . ?
C35_1 C3 C34_1 C1 172.6(10) . . . . ?
C35_1 C3 C34_1 C2 178.7(10) . . . . ?
C35_1 C3 C34_1 C33_1 -176.8(10) . . . . ?
C35_1 C3 C34_1 Fe3_1 -104.1(12) . . . . ?
C35_1 C3 C36_1 Fe2 99(4) . . . . ?
C35_1 C3 C36_1 C2 160(4) . . . . ?
C35_1 C3 C36_1 C4 -49(14) . . . . ?
C35_1 C3 C36_1 C5 168.6(19) . . . . ?
C35_1 C3 C36_1 C32_1 159(4) . . . . ?
C35_1 C3 C36_1 Fe3_1 92(4) . . . . ?
C36_1 Fe2 C1_1 C8 -131.8(11) . . . . ?
C36_1 Fe2 C1_1 C9 -176.6(8) . . . . ?
C36_1 Fe2 C1_1 C10 136.9(9) . . . . ?
C36_1 Fe2 C1_1 C11 90.9(13) . . . . ?
C36_1 Fe2 C1_1 C2_1 63.8(11) . . . . ?
C36_1 Fe2 C1_1 C5_1 169.4(13) . . . . ?
C36_1 Fe2 C1_1 C6_1 -67.0(11) . . . . ?
C36_1 Fe2 C1_1 Fe3_1 80.3(13) . . . . ?
C36_1 Fe2 C32_1 C2 -83.4(16) . . . . ?
C36_1 Fe2 C32_1 C3 -22.3(8) . . . . ?
C36_1 Fe2 C32_1 C4 27.9(7) . . . . ?
C36_1 Fe2 C32_1 C5 77.4(8) . . . . ?
C36_1 Fe2 C32_1 C6 142.3(16) . . . . ?
C36_1 Fe2 C32_1 C31_1 125.69(17) . . . . ?
C36_1 Fe2 C32_1 C33_1 -105.32(17) . . . . ?
C36_1 Fe2 C32_1 Fe3_1 -80.7(8) . . . . ?
C36_1 Fe2 Fe3_1 C2 48.6(8) . . . . ?
C36_1 Fe2 Fe3_1 C3 4.0(9) . . . . ?
C36_1 Fe2 Fe3_1 C10 172.0(5) . . . . ?
C36_1 Fe2 Fe3_1 C11 -137.8(7) . . . . ?
C36_1 Fe2 Fe3_1 C1_1 -128.0(8) . . . . ?
C36_1 Fe2 Fe3_1 C2_1 -116.6(3) . . . . ?
C36_1 Fe2 Fe3_1 C5_1 -176.0(9) . . . . ?
C36_1 Fe2 Fe3_1 C32_1 47.4(3) . . . . ?
C36_1 Fe2 Fe3_1 C33_1 64.3(4) . . . . ?
C36_1 Fe2 Fe3_1 C34_1 34.1(9) . . . . ?
C36_1 C2 C3 Fe2 -55.7(15) . . . . ?
C36_1 C2 C3 C4 4.8(15) . . . . ?
C36_1 C2 C3 C32_1 -1.2(11) . . . . ?
C36_1 C2 C3 C33_1 -154(3) . . . . ?
C36_1 C2 C3 C34_1 -167(2) . . . . ?
C36_1 C2 C3 C35_1 -169(3) . . . . ?
C36_1 C2 C3 Fe3_1 -90.1(16) . . . . ?
C36_1 C2 C6 Fe2 58.0(5) . . . . ?
C36_1 C2 C6 C5 -2.1(6) . . . . ?
C36_1 C2 C6 C32_1 10(2) . . . . ?
C36_1 C2 C6 C33_1 163.1(18) . . . . ?
C36_1 C2 C32_1 Fe2 70.5(8) . . . . ?
C36_1 C2 C32_1 C3 0.5(5) . . . . ?
C36_1 C2 C32_1 C4 -4.3(10) . . . . ?
C36_1 C2 C32_1 C5 -25(5) . . . . ?
C36_1 C2 C32_1 C6 -168(2) . . . . ?
C36_1 C2 C32_1 C31_1 -166.8(16) . . . . ?
C36_1 C2 C32_1 C33_1 156(3) . . . . ?
C36_1 C2 C32_1 Fe3_1 68.9(5) . . . . ?
C36_1 C2 C33_1 Fe2 -60(4) . . . . ?
C36_1 C2 C33_1 C1 80(6) . . . . ?
C36_1 C2 C33_1 C3 22(3) . . . . ?
C36_1 C2 C33_1 C6 -136(5) . . . . ?
C36_1 C2 C33_1 C32_1 -120(6) . . . . ?
C36_1 C2 C33_1 C34_1 35(5) . . . . ?
C36_1 C2 C33_1 Fe3_1 -35(4) . . . . ?
C36_1 C2 C34_1 C1 177.7(5) . . . . ?
C36_1 C2 C34_1 C3 4.5(7) . . . . ?
C36_1 C2 C34_1 C33_1 -166.1(16) . . . . ?
C36_1 C2 C34_1 C35_1 5.1(5) . . . . ?
C36_1 C2 C34_1 Fe3_1 -67.6(5) . . . . ?
C36_1 C3 C4 Fe2 -30(11) . . . . ?
C36_1 C3 C4 C5 29(11) . . . . ?
C36_1 C3 C4 C32_1 26(11) . . . . ?
C36_1 C3 C32_1 Fe2 71.4(16) . . . . ?
C36_1 C3 C32_1 C2 -178.7(12) . . . . ?
C36_1 C3 C32_1 C4 -4.6(16) . . . . ?
C36_1 C3 C32_1 C5 -6.7(19) . . . . ?
C36_1 C3 C32_1 C6 -34(7) . . . . ?
C36_1 C3 C32_1 C31_1 -13(2) . . . . ?
C36_1 C3 C32_1 C33_1 172.4(15) . . . . ?
C36_1 C3 C32_1 Fe3_1 102.5(16) . . . . ?
C36_1 C3 C34_1 C1 -35(6) . . . . ?
C36_1 C3 C34_1 C2 -29(6) . . . . ?
C36_1 C3 C34_1 C33_1 -25(5) . . . . ?
C36_1 C3 C34_1 C35_1 152(6) . . . . ?
C36_1 C3 C34_1 Fe3_1 48(5) . . . . ?
C36_1 C3 C35_1 C2 -159(5) . . . . ?
C36_1 C3 C35_1 C34_1 -157(4) . . . . ?
C36_1 C3 C35_1 Fe3_1 -93(4) . . . . ?
C36_1 C4 C5 Fe2 -54.9(11) . . . . ?
C36_1 C4 C5 C6 3.7(11) . . . . ?
C36_1 C4 C5 C31_1 3.3(14) . . . . ?
C36_1 C4 C5 C32_1 0.8(8) . . . . ?
C36_1 C4 C32_1 Fe2 -85.7(12) . . . . ?
C36_1 C4 C32_1 C2 10(2) . . . . ?
C36_1 C4 C32_1 C3 3.9(13) . . . . ?
C36_1 C4 C32_1 C5 -178.9(10) . . . . ?
C36_1 C4 C32_1 C6 175.4(14) . . . . ?
C36_1 C4 C32_1 C31_1 179.6(10) . . . . ?
C36_1 C4 C32_1 C33_1 -0.3(16) . . . . ?
C36_1 C4 C32_1 Fe3_1 -54.8(10) . . . . ?
C36_1 C5 C6 Fe2 -57.5(5) . . . . ?
C36_1 C5 C6 C2 2.0(6) . . . . ?
C36_1 C5 C6 C30_1 -179.6(10) . . . . ?
C36_1 C5 C6 C31_1 -177.8(19) . . . . ?
C36_1 C5 C6 C32_1 -3.8(9) . . . . ?
C36_1 C5 C6 C33_1 -5.1(8) . . . . ?
C36_1 C5 C31_1 Fe2 -51.5(8) . . . . ?
C36_1 C5 C31_1 C6 2(2) . . . . ?
C36_1 C5 C31_1 C30_1 179.4(5) . . . . ?
C36_1 C5 C31_1 C32_1 -1.1(5) . . . . ?
C36_1 C5 C32_1 Fe2 -73.3(5) . . . . ?
C36_1 C5 C32_1 C2 26(5) . . . . ?
C36_1 C5 C32_1 C3 2.6(8) . . . . ?
C36_1 C5 C32_1 C4 0.5(5) . . . . ?
C36_1 C5 C32_1 C6 175.1(12) . . . . ?
C36_1 C5 C32_1 C31_1 178.7(6) . . . . ?
C36_1 C5 C32_1 Fe3_1 -60.9(4) . . . . ?
C36_1 C32_1 C33_1 Fe2 -73.4(6) . . . . ?
C36_1 C32_1 C33_1 C1 74(7) . . . . ?
C36_1 C32_1 C33_1 C2 25(3) . . . . ?
C36_1 C32_1 C33_1 C3 3.0(6) . . . . ?
C36_1 C32_1 C33_1 C6 175.8(14) . . . . ?
C36_1 C32_1 C33_1 C34_1 -0.4 . . . . ?
C36_1 C32_1 C33_1 Fe3_1 -59.6 . . . . ?
Fe1_1 C8_1 C9_1 C10_1 59.1 . . . . ?
Fe1_1 C8_1 C12_1 C11_1 -59.4 . . . . ?
Fe1_1 C9_1 C10_1 C11_1 59.7 . . . . ?
Fe1_1 C10_1 C11_1 C12_1 58.9 . . . . ?
Fe1_1 C11_1 C12_1 C8_1 59.6 . . . . ?
Fe1_1 C13_1 C14_1 C15_1 59.2 . . . . ?
Fe1_1 C13_1 C17_1 C16_1 -59.1 . . . . ?
Fe1_1 C14_1 C15_1 C16_1 59.1 . . . . ?
Fe1_1 C15_1 C16_1 C17_1 59.2 . . . . ?
Fe1_1 C16_1 C17_1 C13_1 59.5 . . . . ?
Fe2_1 C20_1 C21_1 C22_1 59.9 . . . . ?
Fe2_1 C20_1 C24_1 C23_1 -59.8 . . . . ?
Fe2_1 C21_1 C22_1 C23_1 58.1 . . . . ?
Fe2_1 C22_1 C23_1 C24_1 58.9 . . . . ?
Fe2_1 C23_1 C24_1 C20_1 59.4 . . . . ?
Fe2_1 C25_1 C26_1 C27_1 58.9 . . . . ?
Fe2_1 C25_1 C29_1 C28_1 -58.9 . . . . ?
Fe2_1 C26_1 C27_1 C28_1 58.5 . . . . ?
Fe2_1 C27_1 C28_1 C29_1 58.7 . . . . ?
Fe2_1 C28_1 C29_1 C25_1 58.3 . . . . ?
Fe3_1 Fe2 C1_1 C8 147.9(9) . . . . ?
Fe3_1 Fe2 C1_1 C9 103.1(9) . . . . ?
Fe3_1 Fe2 C1_1 C10 56.5(11) . . . . ?
Fe3_1 Fe2 C1_1 C11 10.6(15) . . . . ?
Fe3_1 Fe2 C1_1 C2_1 -16.5(9) . . . . ?
Fe3_1 Fe2 C1_1 C5_1 89.1(8) . . . . ?
Fe3_1 Fe2 C1_1 C6_1 -147.3(7) . . . . ?
Fe3_1 Fe2 C5_1 C7 -84.1(10) . . . . ?
Fe3_1 Fe2 C5_1 C8 -134.2(8) . . . . ?
Fe3_1 Fe2 C5_1 C9 143(2) . . . . ?
Fe3_1 Fe2 C5_1 C10 20.6(19) . . . . ?
Fe3_1 Fe2 C5_1 C11 -33.8(12) . . . . ?
Fe3_1 Fe2 C5_1 C1_1 -88.8(9) . . . . ?
Fe3_1 Fe2 C5_1 C4_1 15.5(9) . . . . ?
Fe3_1 Fe2 C32_1 C2 -3(2) . . . . ?
Fe3_1 Fe2 C32_1 C3 58.3(12) . . . . ?
Fe3_1 Fe2 C32_1 C4 108.6(9) . . . . ?
Fe3_1 Fe2 C32_1 C5 158.1(7) . . . . ?
Fe3_1 Fe2 C32_1 C6 -137.0(15) . . . . ?
Fe3_1 Fe2 C32_1 C31_1 -153.6(8) . . . . ?
Fe3_1 Fe2 C32_1 C33_1 -24.6(9) . . . . ?
Fe3_1 Fe2 C32_1 C36_1 80.7(8) . . . . ?
Fe3_1 Fe2 C36_1 C2 -65.7(11) . . . . ?
Fe3_1 Fe2 C36_1 C3 -13(3) . . . . ?
Fe3_1 Fe2 C36_1 C4 158.4(11) . . . . ?
Fe3_1 Fe2 C36_1 C5 -156.7(7) . . . . ?
Fe3_1 Fe2 C36_1 C32_1 -97.1(8) . . . . ?
Fe3_1 Fe2 C36_1 C35_1 6.7(9) . . . . ?
Fe3_1 C2 C3 Fe2 34.4(6) . . . . ?
Fe3_1 C2 C3 C4 94.8(6) . . . . ?
Fe3_1 C2 C3 C32_1 88.9(11) . . . . ?
Fe3_1 C2 C3 C33_1 -64(2) . . . . ?
Fe3_1 C2 C3 C34_1 -77.4(8) . . . . ?
Fe3_1 C2 C3 C35_1 -78.5(14) . . . . ?
Fe3_1 C2 C3 C36_1 90.1(16) . . . . ?
Fe3_1 C2 C6 Fe2 -10.7(5) . . . . ?
Fe3_1 C2 C6 C5 -70.8(6) . . . . ?
Fe3_1 C2 C6 C32_1 -59(2) . . . . ?
Fe3_1 C2 C6 C33_1 94.4(15) . . . . ?
Fe3_1 C2 C32_1 Fe2 1.6(13) . . . . ?
Fe3_1 C2 C32_1 C3 -68.4(5) . . . . ?
Fe3_1 C2 C32_1 C4 -73.2(11) . . . . ?
Fe3_1 C2 C32_1 C5 -94(5) . . . . ?
Fe3_1 C2 C32_1 C6 123(2) . . . . ?
Fe3_1 C2 C32_1 C31_1 124.3(14) . . . . ?
Fe3_1 C2 C32_1 C33_1 87(3) . . . . ?
Fe3_1 C2 C32_1 C36_1 -68.9(5) . . . . ?
Fe3_1 C2 C33_1 Fe2 -25.2(5) . . . . ?
Fe3_1 C2 C33_1 C1 115(4) . . . . ?
Fe3_1 C2 C33_1 C3 56.8(15) . . . . ?
Fe3_1 C2 C33_1 C6 -100.8(8) . . . . ?
Fe3_1 C2 C33_1 C32_1 -85(3) . . . . ?
Fe3_1 C2 C33_1 C34_1 70.2(6) . . . . ?
Fe3_1 C2 C34_1 C1 -114.6(6) . . . . ?
Fe3_1 C2 C34_1 C3 72.1(5) . . . . ?
Fe3_1 C2 C34_1 C33_1 -98.4(12) . . . . ?
Fe3_1 C2 C34_1 C35_1 72.8(4) . . . . ?
Fe3_1 C2 C36_1 Fe2 33.6(7) . . . . ?
Fe3_1 C2 C36_1 C3 -81.7(16) . . . . ?
Fe3_1 C2 C36_1 C4 109.0(19) . . . . ?
Fe3_1 C2 C36_1 C5 103.5(5) . . . . ?
Fe3_1 C2 C36_1 C32_1 96.9(10) . . . . ?
Fe3_1 C2 C36_1 C35_1 -75.0(4) . . . . ?
Fe3_1 C3 C4 Fe2 10.3(6) . . . . ?
Fe3_1 C3 C4 C5 69.2(6) . . . . ?
Fe3_1 C3 C4 C32_1 66.8(6) . . . . ?
Fe3_1 C3 C4 C36_1 40(11) . . . . ?
Fe3_1 C3 C32_1 Fe2 -31.1(7) . . . . ?
Fe3_1 C3 C32_1 C2 78.8(10) . . . . ?
Fe3_1 C3 C32_1 C4 -107.1(4) . . . . ?
Fe3_1 C3 C32_1 C5 -109.2(6) . . . . ?
Fe3_1 C3 C32_1 C6 -137(6) . . . . ?
Fe3_1 C3 C32_1 C31_1 -115.1(9) . . . . ?
Fe3_1 C3 C32_1 C33_1 69.9(4) . . . . ?
Fe3_1 C3 C32_1 C36_1 -102.5(16) . . . . ?
Fe3_1 C3 C34_1 C1 -83.2(11) . . . . ?
Fe3_1 C3 C34_1 C2 -77.2(6) . . . . ?
Fe3_1 C3 C34_1 C33_1 -72.6(4) . . . . ?
Fe3_1 C3 C34_1 C35_1 104.1(12) . . . . ?
Fe3_1 C3 C35_1 C2 -65.3(6) . . . . ?
Fe3_1 C3 C35_1 C34_1 -64.2(7) . . . . ?
Fe3_1 C3 C35_1 C36_1 93(4) . . . . ?
Fe3_1 C3 C36_1 Fe2 7.4(16) . . . . ?
Fe3_1 C3 C36_1 C2 68.2(6) . . . . ?
Fe3_1 C3 C36_1 C4 -140(11) . . . . ?
Fe3_1 C3 C36_1 C5 77(3) . . . . ?
Fe3_1 C3 C36_1 C32_1 67.5(8) . . . . ?
Fe3_1 C3 C36_1 C35_1 -92(4) . . . . ?
Fe3_1 C7 C8 Fe2 18.3(4) . . . . ?
Fe3_1 C7 C8 C9 -40.1(5) . . . . ?
Fe3_1 C7 C8 C1_1 -16(4) . . . . ?
Fe3_1 C7 C8 C5_1 -39.7(5) . . . . ?
Fe3_1 C7 C8 C6_1 117.3(10) . . . . ?
Fe3_1 C7 C11 Fe2 15.0(7) . . . . ?
Fe3_1 C7 C11 C10 74.4(7) . . . . ?
Fe3_1 C7 C11 C12 -102.6(8) . . . . ?
Fe3_1 C7 C11 C1_1 60(2) . . . . ?
Fe3_1 C7 C11 C2_1 -120(2) . . . . ?
Fe3_1 C7 C11 C3_1 -179(4) . . . . ?
Fe3_1 C7 C11 C4_1 89.1(11) . . . . ?
Fe3_1 C7 C11 C5_1 74.2(8) . . . . ?
Fe3_1 C7 C2_1 Fe2 -2.1(4) . . . . ?
Fe3_1 C7 C2_1 C11 39.6(12) . . . . ?
Fe3_1 C7 C2_1 C12 3(5) . . . . ?
Fe3_1 C7 C2_1 C1_1 40(3) . . . . ?
Fe3_1 C7 C2_1 C3_1 58.9(6) . . . . ?
Fe3_1 C7 C5_1 Fe2 34.6(6) . . . . ?
Fe3_1 C7 C5_1 C8 132.3(5) . . . . ?
Fe3_1 C7 C5_1 C9 134(3) . . . . ?
Fe3_1 C7 C5_1 C10 -48.9(11) . . . . ?
Fe3_1 C7 C5_1 C11 -48.6(5) . . . . ?
Fe3_1 C7 C5_1 C1_1 85(6) . . . . ?
Fe3_1 C7 C5_1 C4_1 -63.1(3) . . . . ?
Fe3_1 C7 C6_1 Fe2 -9.7(9) . . . . ?
Fe3_1 C7 C6_1 C8 -78.6(10) . . . . ?
Fe3_1 C7 C6_1 C1_1 -53.4(17) . . . . ?
Fe3_1 C7 C6_1 C7_1 131(2) . . . . ?
Fe3_1 C9 C10 Fe2 2.1(6) . . . . ?
Fe3_1 C9 C10 C11 -57.5(6) . . . . ?
Fe3_1 C9 C10 C1_1 -54.0(6) . . . . ?
Fe3_1 C9 C10 C3_1 -82.2(12) . . . . ?
Fe3_1 C9 C10 C5_1 -56(2) . . . . ?
Fe3_1 C9 C1_1 Fe2 -32.2(5) . . . . ?
Fe3_1 C9 C1_1 C8 -142.0(8) . . . . ?
Fe3_1 C9 C1_1 C10 43.7(4) . . . . ?
Fe3_1 C9 C1_1 C11 47.1(7) . . . . ?
Fe3_1 C9 C1_1 C2_1 58.2(4) . . . . ?
Fe3_1 C9 C1_1 C5_1 46(2) . . . . ?
Fe3_1 C9 C1_1 C6_1 -123.2(2) . . . . ?
Fe3_1 C9 C4_1 Fe2 0.6(3) . . . . ?
Fe3_1 C9 C4_1 C11 -46.3(6) . . . . ?
Fe3_1 C9 C4_1 C3_1 -56.7(5) . . . . ?
Fe3_1 C9 C4_1 C5_1 -46.0(19) . . . . ?
Fe3_1 C9 C5_1 Fe2 -27.1(10) . . . . ?
Fe3_1 C9 C5_1 C7 -108(3) . . . . ?
Fe3_1 C9 C5_1 C8 -108(2) . . . . ?
Fe3_1 C9 C5_1 C10 74(3) . . . . ?
Fe3_1 C9 C5_1 C1_1 -103(3) . . . . ?
Fe3_1 C9 C5_1 C4_1 90(3) . . . . ?
Fe3_1 C10 C11 Fe2 -33.3(7) . . . . ?
Fe3_1 C10 C11 C7 -93.3(7) . . . . ?
Fe3_1 C10 C11 C12 83.8(7) . . . . ?
Fe3_1 C10 C11 C1_1 -89.1(9) . . . . ?
Fe3_1 C10 C11 C2_1 -132(4) . . . . ?
Fe3_1 C10 C11 C3_1 114.4(16) . . . . ?
Fe3_1 C10 C11 C4_1 132(3) . . . . ?
Fe3_1 C10 C11 C5_1 -93.0(11) . . . . ?
Fe3_1 C10 C3_1 C11 -50.8(12) . . . . ?
Fe3_1 C10 C3_1 C12 -4(3) . . . . ?
Fe3_1 C10 C3_1 C2_1 -61.2(6) . . . . ?
Fe3_1 C10 C3_1 C4_1 150(3) . . . . ?
Fe3_1 C10 C5_1 Fe2 -12.7(12) . . . . ?
Fe3_1 C10 C5_1 C7 55.5(11) . . . . ?
Fe3_1 C10 C5_1 C8 58(3) . . . . ?
Fe3_1 C10 C5_1 C9 -126(2) . . . . ?
Fe3_1 C10 C5_1 C11 55.3(6) . . . . ?
Fe3_1 C10 C5_1 C1_1 51.4(10) . . . . ?
Fe3_1 C10 C5_1 C4_1 146(6) . . . . ?
Fe3_1 C11 C12 C2_1 -119.4(17) . . . . ?
Fe3_1 C11 C12 C3_1 112.3(18) . . . . ?
Fe3_1 C11 C1_1 Fe2 -7.7(11) . . . . ?
Fe3_1 C11 C1_1 C8 -85.9(18) . . . . ?
Fe3_1 C11 C1_1 C9 -76.0(8) . . . . ?
Fe3_1 C11 C1_1 C10 -72.8(7) . . . . ?
Fe3_1 C11 C1_1 C2_1 120.7(16) . . . . ?
Fe3_1 C11 C1_1 C5_1 -75.7(8) . . . . ?
Fe3_1 C11 C1_1 C6_1 79(2) . . . . ?
Fe3_1 C11 C2_1 Fe2 -34.5(11) . . . . ?
Fe3_1 C11 C2_1 C7 -81(2) . . . . ?
Fe3_1 C11 C2_1 C12 84.9(16) . . . . ?
Fe3_1 C11 C2_1 C1_1 -80.6(16) . . . . ?
Fe3_1 C11 C2_1 C3_1 125(3) . . . . ?
Fe3_1 C11 C3_1 C10 68.4(13) . . . . ?
Fe3_1 C11 C3_1 C12 -80.1(17) . . . . ?
Fe3_1 C11 C3_1 C2_1 -130(3) . . . . ?
Fe3_1 C11 C3_1 C4_1 74.4(13) . . . . ?
Fe3_1 C11 C4_1 Fe2 31.7(6) . . . . ?
Fe3_1 C11 C4_1 C9 78.5(9) . . . . ?
Fe3_1 C11 C4_1 C3_1 -115.3(14) . . . . ?
Fe3_1 C11 C4_1 C5_1 78.4(7) . . . . ?
Fe3_1 C11 C5_1 Fe2 24.4(9) . . . . ?
Fe3_1 C11 C5_1 C7 103.1(6) . . . . ?
Fe3_1 C11 C5_1 C8 103.8(8) . . . . ?
Fe3_1 C11 C5_1 C10 -77.3(9) . . . . ?
Fe3_1 C11 C5_1 C1_1 98.0(8) . . . . ?
Fe3_1 C11 C5_1 C4_1 -93.8(8) . . . . ?
Fe3_1 C12 C2_1 Fe2 1.2(7) . . . . ?
Fe3_1 C12 C2_1 C7 -3(5) . . . . ?
Fe3_1 C12 C2_1 C11 -41.1(11) . . . . ?
Fe3_1 C12 C2_1 C1_1 -18.8(15) . . . . ?
Fe3_1 C12 C2_1 C3_1 -76.0(7) . . . . ?
Fe3_1 C12 C3_1 C10 3(2) . . . . ?
Fe3_1 C12 C3_1 C11 43.2(11) . . . . ?
Fe3_1 C12 C3_1 C2_1 71.8(4) . . . . ?
Fe3_1 C12 C3_1 C4_1 -10(2) . . . . ?
Fe3_1 C1_1 C2_1 Fe2 -9.3(5) . . . . ?
Fe3_1 C1_1 C2_1 C7 -137(3) . . . . ?
Fe3_1 C1_1 C2_1 C11 42.5(12) . . . . ?
Fe3_1 C1_1 C2_1 C12 19.6(15) . . . . ?
Fe3_1 C1_1 C2_1 C3_1 59.5 . . . . ?
Fe3_1 C1_1 C5_1 Fe2 34.9(6) . . . . ?
Fe3_1 C1_1 C5_1 C7 -93(6) . . . . ?
Fe3_1 C1_1 C5_1 C8 138.2(10) . . . . ?
Fe3_1 C1_1 C5_1 C9 132(2) . . . . ?
Fe3_1 C1_1 C5_1 C10 -45.7(10) . . . . ?
Fe3_1 C1_1 C5_1 C11 -49.8(7) . . . . ?
Fe3_1 C1_1 C5_1 C4_1 -60.2 . . . . ?
Fe3_1 C1_1 C6_1 Fe2 -20.7(5) . . . . ?
Fe3_1 C1_1 C6_1 C7 105(3) . . . . ?
Fe3_1 C1_1 C6_1 C8 -106.2(9) . . . . ?
Fe3_1 C2_1 C3_1 C10 50.2(6) . . . . ?
Fe3_1 C2_1 C3_1 C11 34(2) . . . . ?
Fe3_1 C2_1 C3_1 C12 -88.3(11) . . . . ?
Fe3_1 C2_1 C3_1 C4_1 59.1 . . . . ?
Fe3_1 C3_1 C4_1 Fe2 18.1(3) . . . . ?
Fe3_1 C3_1 C4_1 C9 61.6(7) . . . . ?
Fe3_1 C3_1 C4_1 C11 44.6(10) . . . . ?
Fe3_1 C3_1 C4_1 C5_1 58.3 . . . . ?
Fe3_1 C4_1 C5_1 Fe2 -8.7(5) . . . . ?
Fe3_1 C4_1 C5_1 C7 62.3(5) . . . . ?
Fe3_1 C4_1 C5_1 C8 86.2(14) . . . . ?
Fe3_1 C4_1 C5_1 C9 -131(2) . . . . ?
Fe3_1 C4_1 C5_1 C10 -30(5) . . . . ?
Fe3_1 C4_1 C5_1 C11 49.7(6) . . . . ?
Fe3_1 C4_1 C5_1 C1_1 59.2 . . . . ?
Fe3_1 C32_1 C33_1 Fe2 -13.8(6) . . . . ?
Fe3_1 C32_1 C33_1 C1 134(7) . . . . ?
Fe3_1 C32_1 C33_1 C2 85(3) . . . . ?
Fe3_1 C32_1 C33_1 C3 62.6(6) . . . . ?
Fe3_1 C32_1 C33_1 C6 -124.6(14) . . . . ?
Fe3_1 C32_1 C33_1 C34_1 59.2 . . . . ?
Fe3_1 C32_1 C36_1 Fe2 34.6(6) . . . . ?
Fe3_1 C32_1 C36_1 C2 -69.1(11) . . . . ?
Fe3_1 C32_1 C36_1 C3 -67.9(16) . . . . ?
Fe3_1 C32_1 C36_1 C4 119.8(12) . . . . ?
Fe3_1 C32_1 C36_1 C5 119.0(6) . . . . ?
Fe3_1 C32_1 C36_1 C35_1 -60.8 . . . . ?
Fe3_1 C33_1 C34_1 C1 -137.6(18) . . . . ?
Fe3_1 C33_1 C34_1 C2 69.0(12) . . . . ?
Fe3_1 C33_1 C34_1 C3 61.5(5) . . . . ?
Fe3_1 C33_1 C34_1 C35_1 59.9 . . . . ?
Fe3_1 C34_1 C35_1 C2 63.6(6) . . . . ?
Fe3_1 C34_1 C35_1 C3 62.6(10) . . . . ?
Fe3_1 C34_1 C35_1 C36_1 57.3 . . . . ?
Fe3_1 C35_1 C36_1 Fe2 -3.8(5) . . . . ?
Fe3_1 C35_1 C36_1 C2 63.7(6) . . . . ?
Fe3_1 C35_1 C36_1 C3 81(4) . . . . ?
Fe3_1 C35_1 C36_1 C4 -122(2) . . . . ?
Fe3_1 C35_1 C36_1 C5 58.7(17) . . . . ?
Fe3_1 C35_1 C36_1 C32_1 59.4 . . . . ?
loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
1 0.85(3)
2 0.15(3)
