#------------------------------------------------------------------------------
#$Date: 2015-09-05 23:53:32 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154575 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/35/4513519.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_4513519
loop_
_publ_author_name
'Yao, Peng-Fei'
'Tao, Ye'
'Li, Hai-Ye'
'Qin, Xiao-Huan'
'Shi, Dong-Wei'
'Huang, Fu-Ping'
'Yu, Qing'
'Qin, Xing-Xing'
'Bian, He-Dong'
_publ_section_title
;
 A Family of Fe(II)/Cl Supramolecular Coordination Systems Incorporating
 5,5′-Di(pyridin-2-yl)-3,3′-bi(1,2,4-triazole)
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4394
_journal_paper_doi               10.1021/acs.cgd.5b00724
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C14 H15 Cl3 Fe2 N8 O3'
_chemical_formula_sum            'C14 H15 Cl3 Fe2 N8 O3'
_chemical_formula_weight         561.39
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2012-05-01
_audit_creation_method
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_cell_angle_alpha                100.504(6)
_cell_angle_beta                 94.495(5)
_cell_angle_gamma                105.762(5)
_cell_formula_units_Z            2
_cell_length_a                   7.2793(4)
_cell_length_b                   9.7479(7)
_cell_length_c                   15.1562(9)
_cell_measurement_reflns_used    5552
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.9414
_cell_measurement_theta_min      2.8474
_cell_volume                     1008.33(12)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1623
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
  1 omega  -36.00   36.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427   57.0000  -60.0000 144

  2 omega  -64.00   -3.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427  -57.0000   30.0000 122

  3 omega  -81.00   -4.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427  -57.0000 -150.0000 154

  4 omega  -84.00   -3.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427  -57.0000  120.0000 162

  5 omega  -88.00    2.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427  -77.0000  -30.0000 180

  6 omega  -40.00   44.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427   77.0000   90.0000 168

  7 omega  -24.00   51.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -      -17.6427   57.0000 -150.0000 150

  8 omega   21.00   61.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8146  -99.0000    0.0000 80

  9 omega  -42.00   15.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8146  -57.0000    0.0000 114

 10 omega   13.00   38.00   0.5000   20.0000
omega____ theta____ kappa____ phi______ frames
    -       18.8146 -116.0000 -145.0000 50
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0396797000
_diffrn_orient_matrix_UB_12      -0.0275633000
_diffrn_orient_matrix_UB_13      -0.0382371000
_diffrn_orient_matrix_UB_21      -0.0941406000
_diffrn_orient_matrix_UB_22      -0.0346217000
_diffrn_orient_matrix_UB_23      -0.0235654000
_diffrn_orient_matrix_UB_31      0.0022154000
_diffrn_orient_matrix_UB_32      0.0634633000
_diffrn_orient_matrix_UB_33      -0.0170358000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0339
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13150
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         2.85
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.872
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.84549
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       flake
_exptl_crystal_F_000             564
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.346
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4100
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0310
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0259P)²+0.3486P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0682
_refine_ls_wR_factor_ref         0.0730
_reflns_number_gt                3414
_reflns_number_total             4100
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg5b00724_si_002.cif
_cod_data_source_block           0429-ypf-038a
_cod_depositor_comments
'Adding full bibliography for 4513517--4513519.cif.'
_cod_original_cell_volume        1008.33(11)
_cod_database_code               4513519
_reflns_odcompleteness_completeness 99.81
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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
Fe1 Fe 0.83418(5) 0.23452(4) 0.33412(2) 0.02610(10) Uani 1 1 d D
Fe2 Fe 1.25614(5) 0.45844(4) 0.25830(2) 0.02742(11) Uani 1 1 d D
Cl1 Cl 0.89024(10) 0.39375(7) 0.22213(4) 0.03298(16) Uani 1 1 d .
Cl2 Cl 1.18710(10) 0.31976(7) 0.38287(4) 0.03241(16) Uani 1 1 d .
Cl3 Cl 1.30530(11) 0.26255(7) 0.15192(4) 0.03864(18) Uani 1 1 d .
O1 O 0.5318(3) 0.1697(2) 0.30253(14) 0.0404(5) Uani 1 1 d D
H1A H 0.458(3) 0.095(2) 0.3157(18) 0.061 Uiso 1 1 d D
H1B H 0.469(3) 0.201(3) 0.2666(17) 0.061 Uiso 1 1 d D
O2 O 0.8073(3) 0.4030(2) 0.43703(12) 0.0398(5) Uani 1 1 d D
H2A H 0.710(3) 0.428(3) 0.4236(15) 0.060 Uiso 1 1 d D
H2B H 0.802(4) 0.374(3) 0.4869(10) 0.060 Uiso 1 1 d D
O3 O 1.5600(3) 0.5208(2) 0.31987(15) 0.0436(5) Uani 1 1 d D
H3A H 1.643(2) 0.493(3) 0.2913(16) 0.065 Uiso 1 1 d D
H3B H 1.614(3) 0.6045(17) 0.3529(17) 0.065 Uiso 1 1 d D
N1 N 0.8403(3) 0.0374(2) 0.23816(13) 0.0288(5) Uani 1 1 d .
N2 N 0.7884(3) 0.06309(19) 0.41697(12) 0.0218(4) Uani 1 1 d .
N3 N 0.7634(3) -0.1743(2) 0.41146(13) 0.0310(5) Uani 1 1 d .
N4 N 0.7412(3) -0.1073(2) 0.49441(13) 0.0300(5) Uani 1 1 d .
H4 H 0.7202 -0.1497 0.5392 0.036 Uiso 1 1 calc R
N5 N 0.7050(3) 0.0939(2) 0.65781(13) 0.0255(5) Uani 1 1 d .
N6 N 0.7589(3) 0.2745(2) 0.58006(13) 0.0272(5) Uani 1 1 d .
N7 N 0.7393(3) 0.3318(2) 0.66593(13) 0.0267(5) Uani 1 1 d .
N8 N 0.6953(3) 0.3936(2) 0.83959(13) 0.0287(5) Uani 1 1 d .
C1 C 0.8609(4) 0.0280(3) 0.15036(17) 0.0384(7) Uani 1 1 d .
H1 H 0.8747 0.1111 0.1265 0.046 Uiso 1 1 calc R
C2 C 0.8626(4) -0.0993(3) 0.09394(18) 0.0458(8) Uani 1 1 d .
H2 H 0.8732 -0.1024 0.0329 0.055 Uiso 1 1 calc R
C3 C 0.8484(4) -0.2218(3) 0.12886(19) 0.0469(8) Uani 1 1 d .
H3 H 0.8519 -0.3083 0.0921 0.056 Uiso 1 1 calc R
C4 C 0.8290(4) -0.2148(3) 0.21893(18) 0.0372(7) Uani 1 1 d .
H4A H 0.8208 -0.2959 0.2442 0.045 Uiso 1 1 calc R
C5 C 0.8219(3) -0.0843(3) 0.27135(16) 0.0273(6) Uani 1 1 d .
C6 C 0.7920(3) -0.0677(2) 0.36688(16) 0.0239(5) Uani 1 1 d .
C7 C 0.7560(3) 0.0342(2) 0.49799(15) 0.0221(5) Uani 1 1 d .
C8 C 0.7393(3) 0.1339(2) 0.57846(15) 0.0221(5) Uani 1 1 d .
C9 C 0.7085(3) 0.2225(2) 0.71006(15) 0.0235(5) Uani 1 1 d .
C10 C 0.6871(4) 0.2538(3) 0.80691(16) 0.0262(5) Uani 1 1 d .
C11 C 0.6661(4) 0.1514(3) 0.86065(17) 0.0385(7) Uani 1 1 d .
H11 H 0.6605 0.0554 0.8362 0.046 Uiso 1 1 calc R
C12 C 0.6537(5) 0.1952(3) 0.95145(19) 0.0457(8) Uani 1 1 d .
H12 H 0.6392 0.1286 0.9891 0.055 Uiso 1 1 calc R
C13 C 0.6629(5) 0.3374(3) 0.98558(18) 0.0457(8) Uani 1 1 d .
H13 H 0.6558 0.3690 1.0466 0.055 Uiso 1 1 calc R
C14 C 0.6827(4) 0.4325(3) 0.92784(17) 0.0403(7) Uani 1 1 d .
H14 H 0.6877 0.5287 0.9512 0.048 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
Cl2 Fe1 Cl1 87.45(2) . .
O1 Fe1 Cl1 94.43(5) . .
O1 Fe1 Cl2 175.69(6) . .
O1 Fe1 O2 87.68(8) . .
O1 Fe1 N1 88.94(8) . .
O1 Fe1 N2 85.94(7) . .
O2 Fe1 Cl1 93.14(5) . .
O2 Fe1 Cl2 88.34(6) . .
O2 Fe1 N1 171.85(7) . .
O2 Fe1 N2 96.09(7) . .
N1 Fe1 Cl1 94.53(5) . .
N1 Fe1 Cl2 94.79(6) . .
N1 Fe1 N2 76.26(7) . .
N2 Fe1 Cl1 170.77(5) . .
N2 Fe1 Cl2 92.83(5) . .
Cl2 Fe2 Cl1 85.13(2) . .
Cl3 Fe2 Cl1 98.31(3) . .
Cl3 Fe2 Cl2 95.99(2) . .
O3 Fe2 Cl1 167.74(6) . .
O3 Fe2 Cl2 85.31(6) . .
O3 Fe2 Cl3 90.30(5) . .
O3 Fe2 N8 95.83(8) . 2_766
N7 Fe2 Cl1 89.43(6) 2_766 .
N7 Fe2 Cl2 97.46(5) 2_766 .
N7 Fe2 Cl3 165.00(6) 2_766 .
N7 Fe2 O3 84.21(8) 2_766 .
N7 Fe2 N8 74.62(7) 2_766 2_766
N8 Fe2 Cl1 92.56(6) 2_766 .
N8 Fe2 Cl2 171.80(6) 2_766 .
N8 Fe2 Cl3 92.14(5) 2_766 .
Fe1 Cl1 Fe2 92.88(2) . .
Fe1 Cl2 Fe2 93.83(2) . .
Fe1 O1 H1A 123.7(14) . .
Fe1 O1 H1B 125.9(15) . .
H1A O1 H1B 109(2) . .
Fe1 O2 H2A 110.9(17) . .
Fe1 O2 H2B 109.0(16) . .
H2A O2 H2B 111(2) . .
Fe2 O3 H3A 120.8(16) . .
Fe2 O3 H3B 121.0(15) . .
H3A O3 H3B 109(2) . .
C1 N1 Fe1 125.88(18) . .
C1 N1 C5 117.5(2) . .
C5 N1 Fe1 116.62(15) . .
C6 N2 Fe1 111.12(14) . .
C7 N2 Fe1 145.26(16) . .
C7 N2 C6 103.61(18) . .
C6 N3 N4 102.39(18) . .
N3 N4 H4 124.3 . .
C7 N4 N3 111.34(19) . .
C7 N4 H4 124.3 . .
C9 N5 C8 100.70(18) . .
C8 N6 N7 104.94(18) . .
N6 N7 Fe2 136.68(15) . 2_766
C9 N7 Fe2 116.77(15) . 2_766
C9 N7 N6 106.56(18) . .
C10 N8 Fe2 116.24(15) . 2_766
C14 N8 Fe2 126.17(17) . 2_766
C14 N8 C10 117.5(2) . .
N1 C1 H1 118.6 . .
N1 C1 C2 122.9(3) . .
C2 C1 H1 118.6 . .
C1 C2 H2 120.4 . .
C3 C2 C1 119.2(3) . .
C3 C2 H2 120.4 . .
C2 C3 H3 120.4 . .
C2 C3 C4 119.1(3) . .
C4 C3 H3 120.4 . .
C3 C4 H4A 120.6 . .
C3 C4 C5 118.7(3) . .
C5 C4 H4A 120.6 . .
N1 C5 C4 122.5(2) . .
N1 C5 C6 114.6(2) . .
C4 C5 C6 122.9(2) . .
N2 C6 C5 121.4(2) . .
N3 C6 N2 114.2(2) . .
N3 C6 C5 124.4(2) . .
N2 C7 N4 108.4(2) . .
N2 C7 C8 127.8(2) . .
N4 C7 C8 123.8(2) . .
N5 C8 C7 123.4(2) . .
N6 C8 N5 114.4(2) . .
N6 C8 C7 122.2(2) . .
N5 C9 C10 127.8(2) . .
N7 C9 N5 113.4(2) . .
N7 C9 C10 118.8(2) . .
N8 C10 C9 113.6(2) . .
N8 C10 C11 122.6(2) . .
C11 C10 C9 123.8(2) . .
C10 C11 H11 120.8 . .
C12 C11 C10 118.4(3) . .
C12 C11 H11 120.8 . .
C11 C12 H12 120.3 . .
C13 C12 C11 119.5(2) . .
C13 C12 H12 120.3 . .
C12 C13 H13 120.7 . .
C12 C13 C14 118.7(3) . .
C14 C13 H13 120.7 . .
N8 C14 C13 123.3(3) . .
N8 C14 H14 118.3 . .
C13 C14 H14 118.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 Cl1 2.4864(7) .
Fe1 Cl2 2.4809(8) .
Fe1 O1 2.1078(19) .
Fe1 O2 2.1109(19) .
Fe1 N1 2.202(2) .
Fe1 N2 2.2380(18) .
Fe2 Cl1 2.5544(8) .
Fe2 Cl2 2.5209(7) .
Fe2 Cl3 2.3903(7) .
Fe2 O3 2.207(2) .
Fe2 N7 2.1451(19) 2_766
Fe2 N8 2.2345(19) 2_766
O1 H1A 0.845(9) .
O1 H1B 0.838(9) .
O2 H2A 0.834(10) .
O2 H2B 0.855(9) .
O3 H3A 0.846(10) .
O3 H3B 0.847(10) .
N1 C1 1.340(3) .
N1 C5 1.349(3) .
N2 C6 1.368(3) .
N2 C7 1.333(3) .
N3 N4 1.350(3) .
N3 C6 1.319(3) .
N4 H4 0.8600 .
N4 C7 1.345(3) .
N5 C8 1.351(3) .
N5 C9 1.349(3) .
N6 N7 1.354(3) .
N6 C8 1.334(3) .
N7 Fe2 2.1451(19) 2_766
N7 C9 1.336(3) .
N8 Fe2 2.2345(19) 2_766
N8 C10 1.346(3) .
N8 C14 1.339(3) .
C1 H1 0.9300 .
C1 C2 1.376(4) .
C2 H2 0.9300 .
C2 C3 1.374(4) .
C3 H3 0.9300 .
C3 C4 1.375(4) .
C4 H4A 0.9300 .
C4 C5 1.388(3) .
C5 C6 1.467(3) .
C7 C8 1.450(3) .
C9 C10 1.473(3) .
C10 C11 1.384(3) .
C11 H11 0.9300 .
C11 C12 1.382(4) .
C12 H12 0.9300 .
C12 C13 1.370(4) .
C13 H13 0.9300 .
C13 C14 1.374(4) .
C14 H14 0.9300 .
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
Fe1 N1 C1 C2 -179.7(2) . .
Fe1 N1 C5 C4 -178.1(2) . .
Fe1 N1 C5 C6 2.5(3) . .
Fe1 N2 C6 N3 -179.18(17) . .
Fe1 N2 C6 C5 -0.3(3) . .
Fe1 N2 C7 N4 178.9(2) . .
Fe1 N2 C7 C8 -1.3(5) . .
Fe2 N7 C9 N5 179.18(16) 2_766 .
Fe2 N7 C9 C10 -2.1(3) 2_766 .
Fe2 N8 C10 C9 -1.1(3) 2_766 .
Fe2 N8 C10 C11 177.1(2) 2_766 .
Fe2 N8 C14 C13 -176.4(2) 2_766 .
Cl1 Fe1 Cl2 Fe2 -6.50(2) . .
Cl1 Fe1 N1 C1 -2.4(2) . .
Cl1 Fe1 N1 C5 177.54(17) . .
Cl1 Fe1 N2 C6 -1.6(4) . .
Cl1 Fe1 N2 C7 179.4(2) . .
Cl1 Fe2 Cl2 Fe1 6.34(2) . .
Cl2 Fe1 Cl1 Fe2 6.41(2) . .
Cl2 Fe1 N1 C1 -90.2(2) . .
Cl2 Fe1 N1 C5 89.73(17) . .
Cl2 Fe1 N2 C6 -93.10(15) . .
Cl2 Fe1 N2 C7 87.9(3) . .
Cl2 Fe2 Cl1 Fe1 -6.32(2) . .
Cl3 Fe2 Cl1 Fe1 89.04(3) . .
Cl3 Fe2 Cl2 Fe1 -91.53(3) . .
O1 Fe1 Cl1 Fe2 -177.49(6) . .
O1 Fe1 Cl2 Fe2 -122.4(7) . .
O1 Fe1 N1 C1 92.0(2) . .
O1 Fe1 N1 C5 -88.10(18) . .
O1 Fe1 N2 C6 91.05(16) . .
O1 Fe1 N2 C7 -88.0(3) . .
O2 Fe1 Cl1 Fe2 94.60(6) . .
O2 Fe1 Cl2 Fe2 -99.71(5) . .
O2 Fe1 N1 C1 157.5(5) . .
O2 Fe1 N1 C5 -22.6(7) . .
O2 Fe1 N2 C6 178.27(16) . .
O2 Fe1 N2 C7 -0.8(3) . .
O3 Fe2 Cl1 Fe1 -45.2(2) . .
O3 Fe2 Cl2 Fe1 178.65(5) . .
N1 Fe1 Cl1 Fe2 -88.20(6) . .
N1 Fe1 Cl2 Fe2 87.83(6) . .
N1 Fe1 N2 C6 1.14(15) . .
N1 Fe1 N2 C7 -177.9(3) . .
N1 C1 C2 C3 -2.0(5) . .
N1 C5 C6 N2 -1.5(3) . .
N1 C5 C6 N3 177.3(2) . .
N2 Fe1 Cl1 Fe2 -85.5(3) . .
N2 Fe1 Cl2 Fe2 164.27(5) . .
N2 Fe1 N1 C1 178.1(2) . .
N2 Fe1 N1 C5 -2.03(17) . .
N2 C7 C8 N5 179.6(2) . .
N2 C7 C8 N6 -1.1(4) . .
N3 N4 C7 N2 0.0(3) . .
N3 N4 C7 C8 -179.7(2) . .
N4 N3 C6 N2 -0.2(3) . .
N4 N3 C6 C5 -179.1(2) . .
N4 C7 C8 N5 -0.7(4) . .
N4 C7 C8 N6 178.6(2) . .
N5 C9 C10 N8 -179.4(2) . .
N5 C9 C10 C11 2.4(4) . .
N6 N7 C9 N5 -0.5(3) . .
N6 N7 C9 C10 178.2(2) . .
N7 Fe2 Cl1 Fe1 -103.85(5) 2_766 .
N7 Fe2 Cl2 Fe1 95.13(6) 2_766 .
N7 N6 C8 N5 0.9(3) . .
N7 N6 C8 C7 -178.4(2) . .
N7 C9 C10 N8 2.1(3) . .
N7 C9 C10 C11 -176.1(2) . .
N8 Fe2 Cl1 Fe1 -178.43(5) 2_766 .
N8 Fe2 Cl2 Fe1 80.3(4) 2_766 .
N8 C10 C11 C12 -0.2(4) . .
C1 N1 C5 C4 1.9(4) . .
C1 N1 C5 C6 -177.6(2) . .
C1 C2 C3 C4 1.3(5) . .
C2 C3 C4 C5 0.8(4) . .
C3 C4 C5 N1 -2.5(4) . .
C3 C4 C5 C6 176.9(2) . .
C4 C5 C6 N2 179.1(2) . .
C4 C5 C6 N3 -2.1(4) . .
C5 N1 C1 C2 0.4(4) . .
C6 N2 C7 N4 -0.2(3) . .
C6 N2 C7 C8 179.6(2) . .
C6 N3 N4 C7 0.1(3) . .
C7 N2 C6 N3 0.3(3) . .
C7 N2 C6 C5 179.2(2) . .
C8 N5 C9 N7 0.9(3) . .
C8 N5 C9 C10 -177.6(2) . .
C8 N6 N7 Fe2 -179.78(19) . 2_766
C8 N6 N7 C9 -0.3(3) . .
C9 N5 C8 N6 -1.1(3) . .
C9 N5 C8 C7 178.2(2) . .
C9 C10 C11 C12 177.9(3) . .
C10 N8 C14 C13 0.3(4) . .
C10 C11 C12 C13 -0.2(5) . .
C11 C12 C13 C14 0.5(5) . .
C12 C13 C14 N8 -0.6(5) . .
C14 N8 C10 C9 -178.1(2) . .
C14 N8 C10 C11 0.1(4) . .
