#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:21:15 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179626 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/90/4509025.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509025
loop_
_publ_author_name
'Zhang, Erpeng'
'Hou, Hongwei'
'Meng, Xiangru'
'Liu, Yaru'
'Liu, Yun'
'Fan, Yaoting'
_publ_section_title
;
 Ferrocenyl Functional Coordination Polymers Based on Mono-, Bi-, and
 Heterotrinuclear Organometallic Building Blocks: Syntheses, Structures,
 and Properties
;
_journal_issue                   2
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              903
_journal_paper_doi               10.1021/cg800661g
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C33 H34 Fe2 N O4 Zn'
_chemical_formula_weight         685.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.9810(10)
_cell_angle_beta                 99.9330(10)
_cell_angle_gamma                95.4180(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4653(11)
_cell_length_b                   10.4233(13)
_cell_length_c                   17.341(2)
_cell_measurement_reflns_used    4115
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.73
_cell_measurement_theta_min      2.40
_cell_volume                     1489.1(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0327
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11402
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    1.799
_exptl_absorpt_correction_T_max  0.9060
_exptl_absorpt_correction_T_min  0.5369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             706
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.265
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.053
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     367
_refine_ls_number_reflns         5502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0449
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0253P)²+1.1245P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0729
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                4431
_reflns_number_total             5502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg800661gsup1.cif
_cod_data_source_block           complex_4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        1489.0(3)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509025
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N 0.7306(15) 0.2400(11) 0.9918(5) 0.0253(14) Uani 0.542(8) 1 d PG A 1
C29 C 0.6762(10) 0.1175(7) 0.9761(5) 0.0483(19) Uani 0.542(8) 1 d PG A 1
H29 H 0.5650 0.0952 0.9650 0.058 Uiso 0.542(8) 1 calc PR A 1
C30 C 0.7738(9) 0.0183(8) 0.9751(5) 0.051(2) Uani 0.542(8) 1 d PG A 1
H30 H 0.7275 -0.0677 0.9642 0.061 Uiso 0.542(8) 1 calc PR A 1
C31 C 0.9382(14) 0.0464(12) 0.9899(5) 0.0238(16) Uani 0.542(8) 1 d PG . 1
C32 C 0.9954(18) 0.1752(15) 1.0057(7) 0.0539(11) Uani 0.542(8) 1 d PG A 1
H32 H 1.1061 0.2005 1.0161 0.065 Uiso 0.542(8) 1 calc PR A 1
C33 C 0.8892(18) 0.2681(14) 1.0061(7) 0.0579(11) Uani 0.542(8) 1 d PG A 1
H33 H 0.9317 0.3550 1.0171 0.070 Uiso 0.542(8) 1 calc PR A 1
Fe1 Fe -0.12451(5) 0.21167(5) 1.32509(3) 0.04754(13) Uani 1 1 d . A .
N1' N 0.7457(18) 0.2503(14) 1.0139(6) 0.0253(14) Uani 0.458(8) 1 d PG A 2
C29' C 0.6954(12) 0.1289(9) 1.0158(5) 0.0483(19) Uani 0.458(8) 1 d PG A 2
H29' H 0.5869 0.1073 1.0172 0.058 Uiso 0.458(8) 1 calc PR A 2
C30' C 0.7938(12) 0.0298(9) 1.0157(6) 0.051(2) Uani 0.458(8) 1 d PG A 2
H30' H 0.7510 -0.0550 1.0178 0.061 Uiso 0.458(8) 1 calc PR A 2
C31' C 0.9540(18) 0.0566(15) 1.0124(6) 0.0238(16) Uani 0.458(8) 1 d PG . 2
C32' C 1.007(2) 0.1841(18) 1.0098(9) 0.0539(11) Uani 0.458(8) 1 d PG A 2
H32' H 1.1140 0.2084 1.0073 0.065 Uiso 0.458(8) 1 calc PR A 2
C33' C 0.900(2) 0.2771(17) 1.0107(9) 0.0579(11) Uani 0.458(8) 1 d PG A 2
H33' H 0.9394 0.3629 1.0089 0.070 Uiso 0.458(8) 1 calc PR A 2
Zn1 Zn 0.58817(4) 0.38721(3) 1.004318(19) 0.03594(10) Uani 1 1 d . . .
Fe2 Fe 0.55727(6) 0.24915(5) 0.63625(3) 0.05559(14) Uani 1 1 d . A .
O1 O 0.4622(3) 0.3416(2) 1.09010(13) 0.0586(6) Uani 1 1 d . A .
O2 O 0.3383(3) 0.5188(2) 1.08296(14) 0.0616(6) Uani 1 1 d . . .
O3 O 0.3925(3) 0.3012(2) 0.92439(14) 0.0608(6) Uani 1 1 d . A .
O4 O 0.2648(3) 0.4769(2) 0.91581(14) 0.0577(6) Uani 1 1 d . . .
C1 C 0.3676(3) 0.4171(3) 1.11154(17) 0.0418(7) Uani 1 1 d . . .
C2 C 0.2815(4) 0.3869(3) 1.17809(18) 0.0457(7) Uani 1 1 d . A .
H2A H 0.3028 0.4625 1.2176 0.055 Uiso 1 1 calc R . .
H2B H 0.1664 0.3753 1.1574 0.055 Uiso 1 1 calc R . .
C3 C 0.3225(4) 0.2704(3) 1.21895(19) 0.0513(8) Uani 1 1 d . . .
H3A H 0.4374 0.2798 1.2398 0.062 Uiso 1 1 calc R A .
H3B H 0.2970 0.1930 1.1809 0.062 Uiso 1 1 calc R . .
C4 C 0.2296(3) 0.2543(3) 1.28643(19) 0.0517(8) Uani 1 1 d . A .
H4A H 0.2710 0.1864 1.3157 0.062 Uiso 1 1 calc R . .
H4B H 0.2486 0.3344 1.3222 0.062 Uiso 1 1 calc R . .
C5 C 0.0517(3) 0.2207(3) 1.25854(18) 0.0431(7) Uani 1 1 d . . .
C6 C -0.0641(4) 0.3065(3) 1.23571(18) 0.0501(8) Uani 1 1 d . A .
H6 H -0.0417 0.4008 1.2374 0.060 Uiso 1 1 calc R . .
C7 C -0.2165(4) 0.2335(4) 1.2107(2) 0.0642(10) Uani 1 1 d . . .
H7 H -0.3183 0.2677 1.1919 0.077 Uiso 1 1 calc R A .
C8 C -0.1960(4) 0.1018(4) 1.2179(2) 0.0711(11) Uani 1 1 d . A .
H8 H -0.2814 0.0286 1.2050 0.085 Uiso 1 1 calc R . .
C9 C -0.0325(4) 0.0942(3) 1.2463(2) 0.0557(8) Uani 1 1 d . A .
H9 H 0.0155 0.0145 1.2570 0.067 Uiso 1 1 calc R . .
C10 C -0.0164(5) 0.2752(5) 1.4383(2) 0.0749(11) Uani 1 1 d . . .
H10 H 0.0972 0.3101 1.4561 0.090 Uiso 1 1 calc R A .
C11 C -0.0784(5) 0.1451(5) 1.4318(2) 0.0773(12) Uani 1 1 d . A .
H11 H -0.0167 0.0726 1.4445 0.093 Uiso 1 1 calc R . .
C12 C -0.2463(5) 0.1369(5) 1.4049(2) 0.0816(12) Uani 1 1 d . . .
H12 H -0.3219 0.0573 1.3949 0.098 Uiso 1 1 calc R A .
C13 C -0.2862(5) 0.2611(5) 1.3945(2) 0.0764(12) Uani 1 1 d . A .
H13 H -0.3948 0.2839 1.3759 0.092 Uiso 1 1 calc R . .
C14 C -0.1448(5) 0.3482(4) 1.4154(2) 0.0744(11) Uani 1 1 d . A .
H14 H -0.1367 0.4424 1.4144 0.089 Uiso 1 1 calc R . .
C15 C 0.2794(3) 0.3609(3) 0.89524(18) 0.0435(7) Uani 1 1 d . . .
C16 C 0.1537(4) 0.2873(4) 0.8300(2) 0.0590(9) Uani 1 1 d . A .
H16A H 0.0660 0.3395 0.8176 0.071 Uiso 1 1 calc R . .
H16B H 0.1102 0.2084 0.8476 0.071 Uiso 1 1 calc R . .
C17 C 0.2219(4) 0.2523(3) 0.7559(2) 0.0573(9) Uani 1 1 d . . .
H17A H 0.3104 0.2009 0.7689 0.069 Uiso 1 1 calc R A .
H17B H 0.1388 0.1988 0.7173 0.069 Uiso 1 1 calc R . .
C18 C 0.2818(4) 0.3681(3) 0.7196(2) 0.0576(9) Uani 1 1 d . A .
H18A H 0.1924 0.4184 0.7060 0.069 Uiso 1 1 calc R . .
H18B H 0.3627 0.4224 0.7589 0.069 Uiso 1 1 calc R . .
C19 C 0.3530(4) 0.3376(3) 0.64749(19) 0.0524(8) Uani 1 1 d . . .
C20 C 0.4657(4) 0.4189(4) 0.6185(2) 0.0638(9) Uani 1 1 d . A .
H20 H 0.5157 0.5046 0.6446 0.077 Uiso 1 1 calc R . .
C21 C 0.4990(6) 0.3582(5) 0.5472(2) 0.0821(13) Uani 1 1 d . . .
H21 H 0.5716 0.3943 0.5146 0.098 Uiso 1 1 calc R A .
C22 C 0.4056(6) 0.2378(5) 0.5318(2) 0.0875(14) Uani 1 1 d . A .
H22 H 0.4026 0.1733 0.4860 0.105 Uiso 1 1 calc R . .
C23 C 0.3156(5) 0.2236(4) 0.5927(2) 0.0688(10) Uani 1 1 d . A .
H23 H 0.2407 0.1478 0.5964 0.083 Uiso 1 1 calc R . .
C24 C 0.6872(6) 0.2365(5) 0.7450(3) 0.0855(14) Uani 1 1 d . . .
H24 H 0.6658 0.2761 0.7954 0.103 Uiso 1 1 calc R A .
C25 C 0.6245(6) 0.1120(5) 0.7071(3) 0.0947(15) Uani 1 1 d . A .
H25 H 0.5519 0.0489 0.7263 0.114 Uiso 1 1 calc R . .
C26 C 0.6861(7) 0.0942(5) 0.6375(3) 0.1044(18) Uani 1 1 d . . .
H26 H 0.6638 0.0160 0.5989 0.125 Uiso 1 1 calc R A .
C27 C 0.7849(6) 0.2073(6) 0.6322(3) 0.0967(15) Uani 1 1 d . A .
H27 H 0.8450 0.2221 0.5898 0.116 Uiso 1 1 calc R . .
C28 C 0.7842(5) 0.2937(5) 0.6985(3) 0.0893(14) Uani 1 1 d . A .
H28 H 0.8433 0.3810 0.7107 0.107 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
C29 N1 C33 116.3 . .
C29 N1 Zn1 124.4(7) . .
C33 N1 Zn1 119.1(6) . .
N1 C29 C30 124.0 . .
N1 C29 H29 118.0 . .
C30 C29 H29 118.0 . .
C31 C30 C29 120.1 . .
C31 C30 H30 119.9 . .
C29 C30 H30 119.9 . .
C32 C31 C30 115.9 . .
C32 C31 C31 115.4(15) . 2_757
C30 C31 C31 127.0(16) . 2_757
C31 C32 C33 120.2 . .
C31 C32 H32 119.9 . .
C33 C32 H32 119.9 . .
N1 C33 C32 123.5 . .
N1 C33 H33 118.2 . .
C32 C33 H33 118.2 . .
C10 Fe1 C11 40.10(16) . .
C10 Fe1 C6 119.94(16) . .
C11 Fe1 C6 154.13(16) . .
C10 Fe1 C12 67.49(17) . .
C11 Fe1 C12 40.52(16) . .
C6 Fe1 C12 163.55(16) . .
C10 Fe1 C5 106.89(14) . .
C11 Fe1 C5 119.27(14) . .
C6 Fe1 C5 40.86(11) . .
C12 Fe1 C5 154.82(16) . .
C10 Fe1 C13 67.60(16) . .
C11 Fe1 C13 67.73(16) . .
C6 Fe1 C13 126.48(16) . .
C12 Fe1 C13 39.87(16) . .
C5 Fe1 C13 162.92(17) . .
C10 Fe1 C8 162.88(18) . .
C11 Fe1 C8 126.62(19) . .
C6 Fe1 C8 67.92(15) . .
C12 Fe1 C8 109.44(18) . .
C5 Fe1 C8 68.28(14) . .
C13 Fe1 C8 121.69(17) . .
C10 Fe1 C9 125.81(16) . .
C11 Fe1 C9 108.23(15) . .
C6 Fe1 C9 67.87(13) . .
C12 Fe1 C9 121.36(17) . .
C5 Fe1 C9 40.59(12) . .
C13 Fe1 C9 155.66(17) . .
C8 Fe1 C9 40.07(14) . .
C10 Fe1 C14 40.48(16) . .
C11 Fe1 C14 67.83(17) . .
C6 Fe1 C14 107.88(15) . .
C12 Fe1 C14 67.37(18) . .
C5 Fe1 C14 125.31(16) . .
C13 Fe1 C14 40.14(16) . .
C8 Fe1 C14 155.60(17) . .
C9 Fe1 C14 162.77(17) . .
C10 Fe1 C7 154.79(18) . .
C11 Fe1 C7 164.02(19) . .
C6 Fe1 C7 40.40(13) . .
C12 Fe1 C7 127.10(16) . .
C5 Fe1 C7 68.54(12) . .
C13 Fe1 C7 109.10(15) . .
C8 Fe1 C7 40.49(15) . .
C9 Fe1 C7 67.78(14) . .
C14 Fe1 C7 120.62(16) . .
C29' N1' C33' 116.3 . .
C29' N1' Zn1 121.2(8) . .
C33' N1' Zn1 122.2(8) . .
N1' C29' C30' 124.0 . .
N1' C29' H29' 118.0 . .
C30' C29' H29' 118.0 . .
C31' C30' C29' 120.1 . .
C31' C30' H30' 119.9 . .
C29' C30' H30' 119.9 . .
C32' C31' C30' 115.9 . .
C32' C31' C31' 123.4(19) . 2_757
C30' C31' C31' 118.1(18) . 2_757
C31' C32' C33' 120.2 . .
C31' C32' H32' 119.9 . .
C33' C32' H32' 119.9 . .
N1' C33' C32' 123.5 . .
N1' C33' H33' 118.2 . .
C32' C33' H33' 118.2 . .
O3 Zn1 O4 160.39(8) . 2_667
O3 Zn1 O2 88.46(10) . 2_667
O4 Zn1 O2 88.26(10) 2_667 2_667
O3 Zn1 O1 87.15(10) . .
O4 Zn1 O1 89.42(10) 2_667 .
O2 Zn1 O1 160.19(8) 2_667 .
O3 Zn1 N1' 105.3(4) . .
O4 Zn1 N1' 94.3(3) 2_667 .
O2 Zn1 N1' 100.7(4) 2_667 .
O1 Zn1 N1' 99.1(4) . .
O3 Zn1 N1 96.5(3) . .
O4 Zn1 N1 103.0(3) 2_667 .
O2 Zn1 N1 94.5(3) 2_667 .
O1 Zn1 N1 105.2(3) . .
N1' Zn1 N1 10.7(4) . .
O3 Zn1 Zn1 82.82(6) . 2_667
O4 Zn1 Zn1 77.69(6) 2_667 2_667
O2 Zn1 Zn1 74.20(6) 2_667 2_667
O1 Zn1 Zn1 86.09(6) . 2_667
N1' Zn1 Zn1 170.5(4) . 2_667
N1 Zn1 Zn1 168.6(3) . 2_667
C22 Fe2 C28 148.1(2) . .
C22 Fe2 C27 116.5(2) . .
C28 Fe2 C27 40.07(18) . .
C22 Fe2 C20 67.44(18) . .
C28 Fe2 C20 107.39(19) . .
C27 Fe2 C20 127.6(2) . .
C22 Fe2 C21 40.23(18) . .
C28 Fe2 C21 114.8(2) . .
C27 Fe2 C21 105.8(2) . .
C20 Fe2 C21 40.74(15) . .
C22 Fe2 C26 109.8(2) . .
C28 Fe2 C26 67.3(2) . .
C27 Fe2 C26 40.3(2) . .
C20 Fe2 C26 166.2(2) . .
C21 Fe2 C26 128.5(2) . .
C22 Fe2 C24 171.0(2) . .
C28 Fe2 C24 39.89(18) . .
C27 Fe2 C24 67.44(19) . .
C20 Fe2 C24 117.39(18) . .
C21 Fe2 C24 148.3(2) . .
C26 Fe2 C24 67.38(19) . .
C22 Fe2 C23 40.91(17) . .
C28 Fe2 C23 168.51(19) . .
C27 Fe2 C23 151.2(2) . .
C20 Fe2 C23 67.35(16) . .
C21 Fe2 C23 68.47(18) . .
C26 Fe2 C23 120.1(2) . .
C24 Fe2 C23 132.2(2) . .
C22 Fe2 C25 132.2(2) . .
C28 Fe2 C25 67.5(2) . .
C27 Fe2 C25 67.8(2) . .
C20 Fe2 C25 151.2(2) . .
C21 Fe2 C25 167.9(2) . .
C26 Fe2 C25 40.2(2) . .
C24 Fe2 C25 40.28(19) . .
C23 Fe2 C25 111.8(2) . .
C22 Fe2 C19 68.44(15) . .
C28 Fe2 C19 129.12(17) . .
C27 Fe2 C19 166.0(2) . .
C20 Fe2 C19 40.24(13) . .
C21 Fe2 C19 68.89(15) . .
C26 Fe2 C19 152.8(2) . .
C24 Fe2 C19 109.84(16) . .
C23 Fe2 C19 40.39(13) . .
C25 Fe2 C19 119.74(18) . .
C1 O1 Zn1 119.27(19) . .
C1 O2 Zn1 135.2(2) . 2_667
C15 O3 Zn1 123.7(2) . .
C15 O4 Zn1 130.6(2) . 2_667
O2 C1 O1 125.1(3) . .
O2 C1 C2 115.7(3) . .
O1 C1 C2 119.2(3) . .
C3 C2 C1 117.8(3) . .
C3 C2 H2A 107.8 . .
C1 C2 H2A 107.8 . .
C3 C2 H2B 107.8 . .
C1 C2 H2B 107.8 . .
H2A C2 H2B 107.2 . .
C2 C3 C4 112.0(2) . .
C2 C3 H3A 109.2 . .
C4 C3 H3A 109.2 . .
C2 C3 H3B 109.2 . .
C4 C3 H3B 109.2 . .
H3A C3 H3B 107.9 . .
C5 C4 C3 113.1(3) . .
C5 C4 H4A 109.0 . .
C3 C4 H4A 109.0 . .
C5 C4 H4B 109.0 . .
C3 C4 H4B 109.0 . .
H4A C4 H4B 107.8 . .
C9 C5 C6 106.7(3) . .
C9 C5 C4 125.7(3) . .
C6 C5 C4 127.5(3) . .
C9 C5 Fe1 69.86(18) . .
C6 C5 Fe1 69.41(16) . .
C4 C5 Fe1 127.8(2) . .
C7 C6 C5 108.7(3) . .
C7 C6 Fe1 70.26(18) . .
C5 C6 Fe1 69.73(16) . .
C7 C6 H6 125.7 . .
C5 C6 H6 125.7 . .
Fe1 C6 H6 125.7 . .
C6 C7 C8 107.5(3) . .
C6 C7 Fe1 69.34(18) . .
C8 C7 Fe1 69.6(2) . .
C6 C7 H7 126.2 . .
C8 C7 H7 126.2 . .
Fe1 C7 H7 126.2 . .
C9 C8 C7 108.2(3) . .
C9 C8 Fe1 70.0(2) . .
C7 C8 Fe1 69.9(2) . .
C9 C8 H8 125.9 . .
C7 C8 H8 125.9 . .
Fe1 C8 H8 125.9 . .
C8 C9 C5 108.9(3) . .
C8 C9 Fe1 70.0(2) . .
C5 C9 Fe1 69.55(18) . .
C8 C9 H9 125.5 . .
C5 C9 H9 125.5 . .
Fe1 C9 H9 125.5 . .
C11 C10 C14 108.5(4) . .
C11 C10 Fe1 70.0(2) . .
C14 C10 Fe1 70.3(2) . .
C11 C10 H10 125.8 . .
C14 C10 H10 125.8 . .
Fe1 C10 H10 125.8 . .
C10 C11 C12 107.5(4) . .
C10 C11 Fe1 69.9(2) . .
C12 C11 Fe1 69.9(2) . .
C10 C11 H11 126.2 . .
C12 C11 H11 126.2 . .
Fe1 C11 H11 126.2 . .
C13 C12 C11 108.3(4) . .
C13 C12 Fe1 70.2(2) . .
C11 C12 Fe1 69.5(2) . .
C13 C12 H12 125.8 . .
C11 C12 H12 125.8 . .
Fe1 C12 H12 125.8 . .
C12 C13 C14 108.4(4) . .
C12 C13 Fe1 69.9(2) . .
C14 C13 Fe1 70.1(2) . .
C12 C13 H13 125.8 . .
C14 C13 H13 125.8 . .
Fe1 C13 H13 125.8 . .
C13 C14 C10 107.3(4) . .
C13 C14 Fe1 69.7(2) . .
C10 C14 Fe1 69.3(2) . .
C13 C14 H14 126.3 . .
C10 C14 H14 126.3 . .
Fe1 C14 H14 126.3 . .
O4 C15 O3 125.0(3) . .
O4 C15 C16 117.9(3) . .
O3 C15 C16 117.2(3) . .
C15 C16 C17 112.0(3) . .
C15 C16 H16A 109.2 . .
C17 C16 H16A 109.2 . .
C15 C16 H16B 109.2 . .
C17 C16 H16B 109.2 . .
H16A C16 H16B 107.9 . .
C18 C17 C16 113.9(3) . .
C18 C17 H17A 108.8 . .
C16 C17 H17A 108.8 . .
C18 C17 H17B 108.8 . .
C16 C17 H17B 108.8 . .
H17A C17 H17B 107.7 . .
C19 C18 C17 115.4(3) . .
C19 C18 H18A 108.4 . .
C17 C18 H18A 108.4 . .
C19 C18 H18B 108.4 . .
C17 C18 H18B 108.4 . .
H18A C18 H18B 107.5 . .
C20 C19 C23 106.0(3) . .
C20 C19 C18 126.9(3) . .
C23 C19 C18 127.1(3) . .
C20 C19 Fe2 68.56(19) . .
C23 C19 Fe2 68.80(19) . .
C18 C19 Fe2 129.1(2) . .
C19 C20 C21 110.3(4) . .
C19 C20 Fe2 71.20(19) . .
C21 C20 Fe2 69.7(2) . .
C19 C20 H20 124.8 . .
C21 C20 H20 124.8 . .
Fe2 C20 H20 124.8 . .
C22 C21 C20 106.4(4) . .
C22 C21 Fe2 69.3(2) . .
C20 C21 Fe2 69.6(2) . .
C22 C21 H21 126.8 . .
C20 C21 H21 126.8 . .
Fe2 C21 H21 126.8 . .
C21 C22 C23 109.1(4) . .
C21 C22 Fe2 70.4(2) . .
C23 C22 Fe2 70.3(2) . .
C21 C22 H22 125.4 . .
C23 C22 H22 125.4 . .
Fe2 C22 H22 125.4 . .
C19 C23 C22 108.2(4) . .
C19 C23 Fe2 70.82(19) . .
C22 C23 Fe2 68.8(2) . .
C19 C23 H23 125.9 . .
C22 C23 H23 125.9 . .
Fe2 C23 H23 125.9 . .
C28 C24 C25 108.0(4) . .
C28 C24 Fe2 69.5(2) . .
C25 C24 Fe2 70.0(2) . .
C28 C24 H24 126.0 . .
C25 C24 H24 126.0 . .
Fe2 C24 H24 126.0 . .
C26 C25 C24 107.3(5) . .
C26 C25 Fe2 69.7(2) . .
C24 C25 Fe2 69.8(2) . .
C26 C25 H25 126.3 . .
C24 C25 H25 126.3 . .
Fe2 C25 H25 126.3 . .
C25 C26 C27 108.3(5) . .
C25 C26 Fe2 70.1(2) . .
C27 C26 Fe2 69.6(2) . .
C25 C26 H26 125.9 . .
C27 C26 H26 125.9 . .
Fe2 C26 H26 125.9 . .
C28 C27 C26 107.4(5) . .
C28 C27 Fe2 69.7(2) . .
C26 C27 Fe2 70.0(3) . .
C28 C27 H27 126.3 . .
C26 C27 H27 126.3 . .
Fe2 C27 H27 126.3 . .
C24 C28 C27 109.0(5) . .
C24 C28 Fe2 70.7(2) . .
C27 C28 Fe2 70.2(3) . .
C24 C28 H28 125.5 . .
C27 C28 H28 125.5 . .
Fe2 C28 H28 125.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N1 C29 1.300(8) .
N1 C33 1.321(8) .
N1 Zn1 2.056(12) .
C29 C30 1.384(8) .
C29 H29 0.9300 .
C30 C31 1.369(8) .
C30 H30 0.9300 .
C31 C32 1.367(9) .
C31 C31 1.51(3) 2_757
C32 C33 1.382(8) .
C32 H32 0.9300 .
C33 H33 0.9300 .
Fe1 C10 2.031(4) .
Fe1 C11 2.032(4) .
Fe1 C6 2.034(3) .
Fe1 C12 2.037(4) .
Fe1 C5 2.038(3) .
Fe1 C13 2.040(4) .
Fe1 C8 2.042(4) .
Fe1 C9 2.042(3) .
Fe1 C14 2.045(4) .
Fe1 C7 2.046(3) .
N1' C29' 1.302(10) .
N1' C33' 1.324(10) .
N1' Zn1 2.043(15) .
C29' C30' 1.386(10) .
C29' H29' 0.9300 .
C30' C31' 1.371(10) .
C30' H30' 0.9300 .
C31' C32' 1.369(11) .
C31' C31' 1.54(4) 2_757
C32' C33' 1.384(10) .
C32' H32' 0.9300 .
C33' H33' 0.9300 .
Zn1 O3 2.034(2) .
Zn1 O4 2.034(2) 2_667
Zn1 O2 2.038(2) 2_667
Zn1 O1 2.043(2) .
Zn1 Zn1 2.9048(6) 2_667
Fe2 C22 2.017(4) .
Fe2 C28 2.020(4) .
Fe2 C27 2.027(4) .
Fe2 C20 2.029(3) .
Fe2 C21 2.031(4) .
Fe2 C26 2.033(4) .
Fe2 C24 2.036(4) .
Fe2 C23 2.037(4) .
Fe2 C25 2.039(4) .
Fe2 C19 2.064(3) .
O1 C1 1.248(3) .
O2 C1 1.245(3) .
O2 Zn1 2.038(2) 2_667
O3 C15 1.254(3) .
O4 C15 1.248(4) .
O4 Zn1 2.034(2) 2_667
C1 C2 1.511(4) .
C2 C3 1.506(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.533(4) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.496(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C9 1.415(4) .
C5 C6 1.422(4) .
C6 C7 1.409(5) .
C6 H6 0.9800 .
C7 C8 1.415(5) .
C7 H7 0.9800 .
C8 C9 1.399(5) .
C8 H8 0.9800 .
C9 H9 0.9800 .
C10 C11 1.393(6) .
C10 C14 1.410(5) .
C10 H10 0.9800 .
C11 C12 1.409(5) .
C11 H11 0.9800 .
C12 C13 1.390(6) .
C12 H12 0.9800 .
C13 C14 1.402(6) .
C13 H13 0.9800 .
C14 H14 0.9800 .
C15 C16 1.501(4) .
C16 C17 1.520(5) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.505(4) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C18 C19 1.497(5) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.408(5) .
C19 C23 1.416(5) .
C20 C21 1.414(5) .
C20 H20 0.9800 .
C21 C22 1.392(6) .
C21 H21 0.9800 .
C22 C23 1.417(6) .
C22 H22 0.9800 .
C23 H23 0.9800 .
C24 C28 1.384(6) .
C24 C25 1.403(6) .
C24 H24 0.9800 .
C25 C26 1.398(7) .
C25 H25 0.9800 .
C26 C27 1.400(7) .
C26 H26 0.9800 .
C27 C28 1.387(6) .
C27 H27 0.9800 .
C28 H28 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C33 N1 C29 C30 1.0 . .
Zn1 N1 C29 C30 -173.7(5) . .
N1 C29 C30 C31 -0.9 . .
C29 C30 C31 C32 0.3 . .
C29 C30 C31 C31 164.5(12) . 2_757
C30 C31 C32 C33 0.2 . .
C31 C31 C32 C33 -165.9(13) 2_757 .
C29 N1 C33 C32 -0.5 . .
Zn1 N1 C33 C32 174.5(5) . .
C31 C32 C33 N1 -0.1 . .
C33' N1' C29' C30' 1.0 . .
Zn1 N1' C29' C30' 174.5(6) . .
N1' C29' C30' C31' -0.9 . .
C29' C30' C31' C32' 0.3 . .
C29' C30' C31' C31' -162.0(14) . 2_757
C30' C31' C32' C33' 0.2 . .
C31' C31' C32' C33' 161.4(14) 2_757 .
C29' N1' C33' C32' -0.5 . .
Zn1 N1' C33' C32' -173.9(5) . .
C31' C32' C33' N1' -0.1 . .
C29' N1' Zn1 O3 -41.0(6) . .
C33' N1' Zn1 O3 132.1(5) . .
C29' N1' Zn1 O4 138.7(6) . 2_667
C33' N1' Zn1 O4 -48.2(5) . 2_667
C29' N1' Zn1 O2 -132.3(6) . 2_667
C33' N1' Zn1 O2 40.8(5) . 2_667
C29' N1' Zn1 O1 48.6(6) . .
C33' N1' Zn1 O1 -138.4(5) . .
C29' N1' Zn1 N1 -77(4) . .
C33' N1' Zn1 N1 96(4) . .
C29' N1' Zn1 Zn1 171.3(14) . 2_667
C33' N1' Zn1 Zn1 -15.6(19) . 2_667
C29 N1 Zn1 O3 -33.1(5) . .
C33 N1 Zn1 O3 152.3(4) . .
C29 N1 Zn1 O4 148.7(5) . 2_667
C33 N1 Zn1 O4 -25.8(4) . 2_667
C29 N1 Zn1 O2 -122.1(5) . 2_667
C33 N1 Zn1 O2 63.4(4) . 2_667
C29 N1 Zn1 O1 55.7(5) . .
C33 N1 Zn1 O1 -118.8(4) . .
C29 N1 Zn1 N1' 112(4) . .
C33 N1 Zn1 N1' -62(4) . .
C29 N1 Zn1 Zn1 -119.0(15) . 2_667
C33 N1 Zn1 Zn1 66.4(14) . 2_667
O3 Zn1 O1 C1 -85.8(2) . .
O4 Zn1 O1 C1 74.9(2) 2_667 .
O2 Zn1 O1 C1 -8.4(5) 2_667 .
N1' Zn1 O1 C1 169.2(4) . .
N1 Zn1 O1 C1 178.2(4) . .
Zn1 Zn1 O1 C1 -2.8(2) 2_667 .
O4 Zn1 O3 C15 11.0(5) 2_667 .
O2 Zn1 O3 C15 -69.4(3) 2_667 .
O1 Zn1 O3 C15 91.3(3) . .
N1' Zn1 O3 C15 -170.1(5) . .
N1 Zn1 O3 C15 -163.7(4) . .
Zn1 Zn1 O3 C15 4.8(2) 2_667 .
Zn1 O2 C1 O1 0.8(5) 2_667 .
Zn1 O2 C1 C2 179.8(2) 2_667 .
Zn1 O1 C1 O2 2.3(4) . .
Zn1 O1 C1 C2 -176.7(2) . .
O2 C1 C2 C3 -175.4(3) . .
O1 C1 C2 C3 3.7(4) . .
C1 C2 C3 C4 178.4(3) . .
C2 C3 C4 C5 66.9(4) . .
C3 C4 C5 C9 97.1(4) . .
C3 C4 C5 C6 -79.7(4) . .
C3 C4 C5 Fe1 -171.7(2) . .
C10 Fe1 C5 C9 125.8(2) . .
C11 Fe1 C5 C9 84.1(2) . .
C6 Fe1 C5 C9 -117.7(3) . .
C12 Fe1 C5 C9 53.0(4) . .
C13 Fe1 C5 C9 -165.7(5) . .
C8 Fe1 C5 C9 -36.8(2) . .
C14 Fe1 C5 C9 166.4(2) . .
C7 Fe1 C5 C9 -80.5(2) . .
C10 Fe1 C5 C6 -116.5(2) . .
C11 Fe1 C5 C6 -158.2(2) . .
C12 Fe1 C5 C6 170.6(4) . .
C13 Fe1 C5 C6 -48.1(6) . .
C8 Fe1 C5 C6 80.9(2) . .
C9 Fe1 C5 C6 117.7(3) . .
C14 Fe1 C5 C6 -75.9(2) . .
C7 Fe1 C5 C6 37.2(2) . .
C10 Fe1 C5 C4 5.7(3) . .
C11 Fe1 C5 C4 -36.1(3) . .
C6 Fe1 C5 C4 122.2(4) . .
C12 Fe1 C5 C4 -67.2(5) . .
C13 Fe1 C5 C4 74.1(6) . .
C8 Fe1 C5 C4 -156.9(3) . .
C9 Fe1 C5 C4 -120.2(3) . .
C14 Fe1 C5 C4 46.3(3) . .
C7 Fe1 C5 C4 159.4(3) . .
C9 C5 C6 C7 0.6(4) . .
C4 C5 C6 C7 177.8(3) . .
Fe1 C5 C6 C7 -59.7(2) . .
C9 C5 C6 Fe1 60.2(2) . .
C4 C5 C6 Fe1 -122.5(3) . .
C10 Fe1 C6 C7 -159.1(2) . .
C11 Fe1 C6 C7 167.5(3) . .
C12 Fe1 C6 C7 -46.1(7) . .
C5 Fe1 C6 C7 119.7(3) . .
C13 Fe1 C6 C7 -76.1(3) . .
C8 Fe1 C6 C7 37.8(2) . .
C9 Fe1 C6 C7 81.2(2) . .
C14 Fe1 C6 C7 -116.5(2) . .
C10 Fe1 C6 C5 81.2(2) . .
C11 Fe1 C6 C5 47.8(4) . .
C12 Fe1 C6 C5 -165.8(6) . .
C13 Fe1 C6 C5 164.2(2) . .
C8 Fe1 C6 C5 -81.9(2) . .
C9 Fe1 C6 C5 -38.47(19) . .
C14 Fe1 C6 C5 123.7(2) . .
C7 Fe1 C6 C5 -119.7(3) . .
C5 C6 C7 C8 0.0(4) . .
Fe1 C6 C7 C8 -59.4(2) . .
C5 C6 C7 Fe1 59.3(2) . .
C10 Fe1 C7 C6 46.5(4) . .
C11 Fe1 C7 C6 -160.0(5) . .
C12 Fe1 C7 C6 165.2(2) . .
C5 Fe1 C7 C6 -37.63(19) . .
C13 Fe1 C7 C6 124.3(2) . .
C8 Fe1 C7 C6 -118.9(3) . .
C9 Fe1 C7 C6 -81.5(2) . .
C14 Fe1 C7 C6 81.6(2) . .
C10 Fe1 C7 C8 165.4(3) . .
C11 Fe1 C7 C8 -41.1(6) . .
C6 Fe1 C7 C8 118.9(3) . .
C12 Fe1 C7 C8 -75.9(3) . .
C5 Fe1 C7 C8 81.3(2) . .
C13 Fe1 C7 C8 -116.8(2) . .
C9 Fe1 C7 C8 37.4(2) . .
C14 Fe1 C7 C8 -159.5(2) . .
C6 C7 C8 C9 -0.5(4) . .
Fe1 C7 C8 C9 -59.7(3) . .
C6 C7 C8 Fe1 59.2(2) . .
C10 Fe1 C8 C9 -39.5(6) . .
C11 Fe1 C8 C9 -73.9(3) . .
C6 Fe1 C8 C9 81.4(2) . .
C12 Fe1 C8 C9 -116.0(2) . .
C5 Fe1 C8 C9 37.22(19) . .
C13 Fe1 C8 C9 -158.3(2) . .
C14 Fe1 C8 C9 166.1(3) . .
C7 Fe1 C8 C9 119.2(3) . .
C10 Fe1 C8 C7 -158.6(5) . .
C11 Fe1 C8 C7 167.0(2) . .
C6 Fe1 C8 C7 -37.75(19) . .
C12 Fe1 C8 C7 124.9(2) . .
C5 Fe1 C8 C7 -82.0(2) . .
C13 Fe1 C8 C7 82.5(3) . .
C9 Fe1 C8 C7 -119.2(3) . .
C14 Fe1 C8 C7 47.0(5) . .
C7 C8 C9 C5 0.9(4) . .
Fe1 C8 C9 C5 -58.8(2) . .
C7 C8 C9 Fe1 59.7(3) . .
C6 C5 C9 C8 -0.9(4) . .
C4 C5 C9 C8 -178.2(3) . .
Fe1 C5 C9 C8 59.0(3) . .
C6 C5 C9 Fe1 -59.9(2) . .
C4 C5 C9 Fe1 122.8(3) . .
C10 Fe1 C9 C8 166.7(2) . .
C11 Fe1 C9 C8 125.7(3) . .
C6 Fe1 C9 C8 -81.6(2) . .
C12 Fe1 C9 C8 83.2(3) . .
C5 Fe1 C9 C8 -120.3(3) . .
C13 Fe1 C9 C8 49.6(4) . .
C14 Fe1 C9 C8 -160.5(5) . .
C7 Fe1 C9 C8 -37.8(2) . .
C10 Fe1 C9 C5 -73.1(2) . .
C11 Fe1 C9 C5 -114.0(2) . .
C6 Fe1 C9 C5 38.71(18) . .
C12 Fe1 C9 C5 -156.6(2) . .
C13 Fe1 C9 C5 169.9(3) . .
C8 Fe1 C9 C5 120.3(3) . .
C14 Fe1 C9 C5 -40.2(6) . .
C7 Fe1 C9 C5 82.5(2) . .
C6 Fe1 C10 C11 -158.1(2) . .
C12 Fe1 C10 C11 38.3(2) . .
C5 Fe1 C10 C11 -115.6(2) . .
C13 Fe1 C10 C11 81.5(3) . .
C8 Fe1 C10 C11 -44.8(6) . .
C9 Fe1 C10 C11 -75.1(3) . .
C14 Fe1 C10 C11 119.3(3) . .
C7 Fe1 C10 C11 169.0(3) . .
C11 Fe1 C10 C14 -119.3(3) . .
C6 Fe1 C10 C14 82.6(3) . .
C12 Fe1 C10 C14 -81.0(3) . .
C5 Fe1 C10 C14 125.1(2) . .
C13 Fe1 C10 C14 -37.7(2) . .
C8 Fe1 C10 C14 -164.1(5) . .
C9 Fe1 C10 C14 165.7(2) . .
C7 Fe1 C10 C14 49.7(4) . .
C14 C10 C11 C12 -0.2(4) . .
Fe1 C10 C11 C12 -60.1(3) . .
C14 C10 C11 Fe1 59.9(3) . .
C6 Fe1 C11 C10 47.7(5) . .
C12 Fe1 C11 C10 -118.3(4) . .
C5 Fe1 C11 C10 81.5(3) . .
C13 Fe1 C11 C10 -81.2(3) . .
C8 Fe1 C11 C10 165.0(2) . .
C9 Fe1 C11 C10 124.4(2) . .
C14 Fe1 C11 C10 -37.7(2) . .
C7 Fe1 C11 C10 -162.8(5) . .
C10 Fe1 C11 C12 118.3(4) . .
C6 Fe1 C11 C12 166.0(3) . .
C5 Fe1 C11 C12 -160.2(3) . .
C13 Fe1 C11 C12 37.1(3) . .
C8 Fe1 C11 C12 -76.6(3) . .
C9 Fe1 C11 C12 -117.3(3) . .
C14 Fe1 C11 C12 80.6(3) . .
C7 Fe1 C11 C12 -44.5(7) . .
C10 C11 C12 C13 0.4(5) . .
Fe1 C11 C12 C13 -59.7(3) . .
C10 C11 C12 Fe1 60.1(3) . .
C10 Fe1 C12 C13 81.5(3) . .
C11 Fe1 C12 C13 119.4(4) . .
C6 Fe1 C12 C13 -38.7(7) . .
C5 Fe1 C12 C13 163.4(3) . .
C8 Fe1 C12 C13 -116.5(3) . .
C9 Fe1 C12 C13 -159.2(3) . .
C14 Fe1 C12 C13 37.5(3) . .
C7 Fe1 C12 C13 -74.6(3) . .
C10 Fe1 C12 C11 -37.9(3) . .
C6 Fe1 C12 C11 -158.1(5) . .
C5 Fe1 C12 C11 44.0(5) . .
C13 Fe1 C12 C11 -119.4(4) . .
C8 Fe1 C12 C11 124.1(3) . .
C9 Fe1 C12 C11 81.4(3) . .
C14 Fe1 C12 C11 -81.9(3) . .
C7 Fe1 C12 C11 166.0(3) . .
C11 C12 C13 C14 -0.5(5) . .
Fe1 C12 C13 C14 -59.8(3) . .
C11 C12 C13 Fe1 59.3(3) . .
C10 Fe1 C13 C12 -81.2(3) . .
C11 Fe1 C13 C12 -37.7(3) . .
C6 Fe1 C13 C12 167.3(2) . .
C5 Fe1 C13 C12 -155.5(4) . .
C8 Fe1 C13 C12 82.6(3) . .
C9 Fe1 C13 C12 47.4(5) . .
C14 Fe1 C13 C12 -119.3(4) . .
C7 Fe1 C13 C12 125.5(3) . .
C10 Fe1 C13 C14 38.1(2) . .
C11 Fe1 C13 C14 81.6(3) . .
C6 Fe1 C13 C14 -73.5(3) . .
C12 Fe1 C13 C14 119.3(4) . .
C5 Fe1 C13 C14 -36.2(6) . .
C8 Fe1 C13 C14 -158.1(2) . .
C9 Fe1 C13 C14 166.7(3) . .
C7 Fe1 C13 C14 -115.2(3) . .
C12 C13 C14 C10 0.4(4) . .
Fe1 C13 C14 C10 -59.3(3) . .
C12 C13 C14 Fe1 59.7(3) . .
C11 C10 C14 C13 -0.1(4) . .
Fe1 C10 C14 C13 59.6(3) . .
C11 C10 C14 Fe1 -59.8(3) . .
C10 Fe1 C14 C13 -118.6(3) . .
C11 Fe1 C14 C13 -81.3(3) . .
C6 Fe1 C14 C13 125.9(2) . .
C12 Fe1 C14 C13 -37.3(2) . .
C5 Fe1 C14 C13 167.7(2) . .
C8 Fe1 C14 C13 50.1(5) . .
C9 Fe1 C14 C13 -161.3(4) . .
C7 Fe1 C14 C13 83.6(3) . .
C11 Fe1 C14 C10 37.3(2) . .
C6 Fe1 C14 C10 -115.5(2) . .
C12 Fe1 C14 C10 81.3(3) . .
C5 Fe1 C14 C10 -73.7(3) . .
C13 Fe1 C14 C10 118.6(3) . .
C8 Fe1 C14 C10 168.7(4) . .
C9 Fe1 C14 C10 -42.7(6) . .
C7 Fe1 C14 C10 -157.8(2) . .
Zn1 O4 C15 O3 3.2(5) 2_667 .
Zn1 O4 C15 C16 -175.9(2) 2_667 .
Zn1 O3 C15 O4 -6.3(4) . .
Zn1 O3 C15 C16 172.8(2) . .
O4 C15 C16 C17 112.5(3) . .
O3 C15 C16 C17 -66.7(4) . .
C15 C16 C17 C18 -63.3(4) . .
C16 C17 C18 C19 178.8(3) . .
C17 C18 C19 C20 -155.7(3) . .
C17 C18 C19 C23 27.4(5) . .
C17 C18 C19 Fe2 -64.4(4) . .
C22 Fe2 C19 C20 -80.1(3) . .
C28 Fe2 C19 C20 68.6(3) . .
C27 Fe2 C19 C20 33.1(8) . .
C21 Fe2 C19 C20 -36.8(2) . .
C26 Fe2 C19 C20 -171.8(4) . .
C24 Fe2 C19 C20 109.3(3) . .
C23 Fe2 C19 C20 -118.0(3) . .
C25 Fe2 C19 C20 152.6(3) . .
C22 Fe2 C19 C23 37.9(3) . .
C28 Fe2 C19 C23 -173.4(3) . .
C27 Fe2 C19 C23 151.1(7) . .
C20 Fe2 C19 C23 118.0(3) . .
C21 Fe2 C19 C23 81.2(3) . .
C26 Fe2 C19 C23 -53.8(5) . .
C24 Fe2 C19 C23 -132.7(3) . .
C25 Fe2 C19 C23 -89.4(3) . .
C22 Fe2 C19 C18 159.1(4) . .
C28 Fe2 C19 C18 -52.2(4) . .
C27 Fe2 C19 C18 -87.7(8) . .
C20 Fe2 C19 C18 -120.8(4) . .
C21 Fe2 C19 C18 -157.6(4) . .
C26 Fe2 C19 C18 67.4(5) . .
C24 Fe2 C19 C18 -11.5(4) . .
C23 Fe2 C19 C18 121.2(4) . .
C25 Fe2 C19 C18 31.8(4) . .
C23 C19 C20 C21 0.0(4) . .
C18 C19 C20 C21 -177.5(3) . .
Fe2 C19 C20 C21 58.9(3) . .
C23 C19 C20 Fe2 -58.9(2) . .
C18 C19 C20 Fe2 123.6(3) . .
C22 Fe2 C20 C19 82.8(3) . .
C28 Fe2 C20 C19 -130.8(2) . .
C27 Fe2 C20 C19 -170.4(2) . .
C21 Fe2 C20 C19 121.1(4) . .
C26 Fe2 C20 C19 164.1(7) . .
C24 Fe2 C20 C19 -88.8(3) . .
C23 Fe2 C20 C19 38.3(2) . .
C25 Fe2 C20 C19 -56.1(5) . .
C22 Fe2 C20 C21 -38.3(3) . .
C28 Fe2 C20 C21 108.1(3) . .
C27 Fe2 C20 C21 68.5(4) . .
C26 Fe2 C20 C21 42.9(9) . .
C24 Fe2 C20 C21 150.0(3) . .
C23 Fe2 C20 C21 -82.8(3) . .
C25 Fe2 C20 C21 -177.3(4) . .
C19 Fe2 C20 C21 -121.1(4) . .
C19 C20 C21 C22 0.1(4) . .
Fe2 C20 C21 C22 59.9(3) . .
C19 C20 C21 Fe2 -59.8(2) . .
C28 Fe2 C21 C22 154.3(3) . .
C27 Fe2 C21 C22 112.5(3) . .
C20 Fe2 C21 C22 -117.5(4) . .
C26 Fe2 C21 C22 74.4(4) . .
C24 Fe2 C21 C22 -175.0(3) . .
C23 Fe2 C21 C22 -37.7(2) . .
C25 Fe2 C21 C22 56.2(11) . .
C19 Fe2 C21 C22 -81.2(3) . .
C22 Fe2 C21 C20 117.5(4) . .
C28 Fe2 C21 C20 -88.2(3) . .
C27 Fe2 C21 C20 -130.0(3) . .
C26 Fe2 C21 C20 -168.1(3) . .
C24 Fe2 C21 C20 -57.5(4) . .
C23 Fe2 C21 C20 79.8(3) . .
C25 Fe2 C21 C20 173.7(9) . .
C19 Fe2 C21 C20 36.3(2) . .
C20 C21 C22 C23 -0.1(4) . .
Fe2 C21 C22 C23 59.9(3) . .
C20 C21 C22 Fe2 -60.0(3) . .
C28 Fe2 C22 C21 -48.0(5) . .
C27 Fe2 C22 C21 -83.2(3) . .
C20 Fe2 C22 C21 38.8(2) . .
C26 Fe2 C22 C21 -126.7(3) . .
C24 Fe2 C22 C21 163.0(11) . .
C23 Fe2 C22 C21 119.8(4) . .
C25 Fe2 C22 C21 -166.4(3) . .
C19 Fe2 C22 C21 82.4(3) . .
C28 Fe2 C22 C23 -167.8(3) . .
C27 Fe2 C22 C23 157.0(3) . .
C20 Fe2 C22 C23 -80.9(3) . .
C21 Fe2 C22 C23 -119.8(4) . .
C26 Fe2 C22 C23 113.5(3) . .
C24 Fe2 C22 C23 43.3(12) . .
C25 Fe2 C22 C23 73.8(3) . .
C19 Fe2 C22 C23 -37.4(2) . .
C20 C19 C23 C22 0.0(4) . .
C18 C19 C23 C22 177.4(3) . .
Fe2 C19 C23 C22 -58.8(3) . .
C20 C19 C23 Fe2 58.8(2) . .
C18 C19 C23 Fe2 -123.8(3) . .
C21 C22 C23 C19 0.1(4) . .
Fe2 C22 C23 C19 60.1(2) . .
C21 C22 C23 Fe2 -60.0(3) . .
C22 Fe2 C23 C19 -119.4(4) . .
C28 Fe2 C23 C19 26.5(11) . .
C27 Fe2 C23 C19 -165.9(4) . .
C20 Fe2 C23 C19 -38.2(2) . .
C21 Fe2 C23 C19 -82.3(2) . .
C26 Fe2 C23 C19 154.7(3) . .
C24 Fe2 C23 C19 68.9(3) . .
C25 Fe2 C23 C19 110.7(3) . .
C28 Fe2 C23 C22 145.9(10) . .
C27 Fe2 C23 C22 -46.6(5) . .
C20 Fe2 C23 C22 81.2(3) . .
C21 Fe2 C23 C22 37.1(3) . .
C26 Fe2 C23 C22 -85.9(4) . .
C24 Fe2 C23 C22 -171.7(3) . .
C25 Fe2 C23 C22 -129.9(3) . .
C19 Fe2 C23 C22 119.4(4) . .
C22 Fe2 C24 C28 154.8(11) . .
C27 Fe2 C24 C28 37.3(3) . .
C20 Fe2 C24 C28 -84.5(3) . .
C21 Fe2 C24 C28 -46.2(5) . .
C26 Fe2 C24 C28 81.2(3) . .
C23 Fe2 C24 C28 -167.9(3) . .
C25 Fe2 C24 C28 119.2(4) . .
C19 Fe2 C24 C28 -127.9(3) . .
C22 Fe2 C24 C25 35.7(13) . .
C28 Fe2 C24 C25 -119.2(4) . .
C27 Fe2 C24 C25 -81.8(3) . .
C20 Fe2 C24 C25 156.3(3) . .
C21 Fe2 C24 C25 -165.4(3) . .
C26 Fe2 C24 C25 -37.9(3) . .
C23 Fe2 C24 C25 72.9(4) . .
C19 Fe2 C24 C25 113.0(3) . .
C28 C24 C25 C26 0.5(5) . .
Fe2 C24 C25 C26 59.8(3) . .
C28 C24 C25 Fe2 -59.3(3) . .
C22 Fe2 C25 C26 68.7(4) . .
C28 Fe2 C25 C26 -81.0(3) . .
C27 Fe2 C25 C26 -37.6(3) . .
C20 Fe2 C25 C26 -166.2(4) . .
C21 Fe2 C25 C26 22.3(12) . .
C24 Fe2 C25 C26 -118.4(5) . .
C23 Fe2 C25 C26 111.3(3) . .
C19 Fe2 C25 C26 155.6(3) . .
C22 Fe2 C25 C24 -172.9(3) . .
C28 Fe2 C25 C24 37.3(3) . .
C27 Fe2 C25 C24 80.8(3) . .
C20 Fe2 C25 C24 -47.9(5) . .
C21 Fe2 C25 C24 140.7(10) . .
C26 Fe2 C25 C24 118.4(5) . .
C23 Fe2 C25 C24 -130.3(3) . .
C19 Fe2 C25 C24 -86.0(3) . .
C24 C25 C26 C27 -0.5(5) . .
Fe2 C25 C26 C27 59.4(3) . .
C24 C25 C26 Fe2 -59.9(3) . .
C22 Fe2 C26 C25 -132.8(4) . .
C28 Fe2 C26 C25 81.4(3) . .
C27 Fe2 C26 C25 119.3(5) . .
C20 Fe2 C26 C25 151.2(7) . .
C21 Fe2 C26 C25 -174.2(3) . .
C24 Fe2 C26 C25 38.0(3) . .
C23 Fe2 C26 C25 -88.8(4) . .
C19 Fe2 C26 C25 -51.6(5) . .
C22 Fe2 C26 C27 107.9(3) . .
C28 Fe2 C26 C27 -37.9(3) . .
C20 Fe2 C26 C27 31.9(10) . .
C21 Fe2 C26 C27 66.5(4) . .
C24 Fe2 C26 C27 -81.3(3) . .
C23 Fe2 C26 C27 151.9(3) . .
C25 Fe2 C26 C27 -119.3(5) . .
C19 Fe2 C26 C27 -170.9(3) . .
C25 C26 C27 C28 0.2(5) . .
Fe2 C26 C27 C28 59.9(3) . .
C25 C26 C27 Fe2 -59.7(3) . .
C22 Fe2 C27 C28 151.7(3) . .
C20 Fe2 C27 C28 70.8(4) . .
C21 Fe2 C27 C28 109.9(3) . .
C26 Fe2 C27 C28 -118.3(5) . .
C24 Fe2 C27 C28 -37.2(3) . .
C23 Fe2 C27 C28 -176.2(4) . .
C25 Fe2 C27 C28 -80.9(3) . .
C19 Fe2 C27 C28 44.4(9) . .
C22 Fe2 C27 C26 -90.0(4) . .
C28 Fe2 C27 C26 118.3(5) . .
C20 Fe2 C27 C26 -170.9(3) . .
C21 Fe2 C27 C26 -131.8(3) . .
C24 Fe2 C27 C26 81.1(3) . .
C23 Fe2 C27 C26 -57.9(5) . .
C25 Fe2 C27 C26 37.4(3) . .
C19 Fe2 C27 C26 162.7(6) . .
C25 C24 C28 C27 -0.4(5) . .
Fe2 C24 C28 C27 -60.0(3) . .
C25 C24 C28 Fe2 59.6(3) . .
C26 C27 C28 C24 0.1(5) . .
Fe2 C27 C28 C24 60.3(3) . .
C26 C27 C28 Fe2 -60.2(3) . .
C22 Fe2 C28 C24 -172.8(3) . .
C27 Fe2 C28 C24 -119.5(4) . .
C20 Fe2 C28 C24 112.2(3) . .
C21 Fe2 C28 C24 155.3(3) . .
C26 Fe2 C28 C24 -81.4(3) . .
C23 Fe2 C28 C24 51.2(11) . .
C25 Fe2 C28 C24 -37.7(3) . .
C19 Fe2 C28 C24 73.1(3) . .
C22 Fe2 C28 C27 -53.2(5) . .
C20 Fe2 C28 C27 -128.3(3) . .
C21 Fe2 C28 C27 -85.2(4) . .
C26 Fe2 C28 C27 38.2(3) . .
C24 Fe2 C28 C27 119.5(4) . .
C23 Fe2 C28 C27 170.7(9) . .
C25 Fe2 C28 C27 81.8(3) . .
C19 Fe2 C28 C27 -167.4(3) . .
