#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/71/2217169.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2217169
loop_
_publ_author_name
'Quan-Fu Cao'
'Jian-Min Dou'
'Da-Cheng Li'
'Da-Qi Wang'
_publ_section_title
;(Methanolato)(pyridine)[N²,N^2'^-(pyridine-2,6-diyldicarbonyl)diacetohydrazide(2--)]iron(III)
 methanol solvate
;
_journal_coeditor_code           LH2566
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m47
_journal_page_last               m47
_journal_paper_doi               10.1107/S1600536807060862
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac
'[Fe (C11 H10 N5 O4) (C H3 O) (C5 H5 N)], C H4 O'
_chemical_formula_moiety         'C17 H19 Fe N6 O5, C H4 O'
_chemical_formula_sum            'C18 H23 Fe N6 O6'
_chemical_formula_weight         475.27
_chemical_name_systematic
;
(Methanolato)(pyridine)[N²,N^2'^-(pyridine-2,6-
diyldicarbonyl)diacetohydrazide(2-)]iron(III) methanol solvate
;
_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           SHELXL97
_cell_angle_alpha                83.518(3)
_cell_angle_beta                 85.924(3)
_cell_angle_gamma                77.176(2)
_cell_formula_units_Z            2
_cell_length_a                   8.258(10)
_cell_length_b                   10.64(14)
_cell_length_c                   12.448(18)
_cell_measurement_reflns_used    1856
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.102
_cell_measurement_theta_min      2.436
_cell_volume                     1058(14)
_computing_cell_refinement       'SAINT (Bruker, 1996)'
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        'SAINT (Bruker, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       'φ and ω 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  0.0213
_diffrn_reflns_av_sigmaI/netI    0.0506
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5507
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    0.760
_exptl_absorpt_correction_T_max  0.8628
_exptl_absorpt_correction_T_min  0.7662
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             494
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.271
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         3658
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+0.8457P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1153
_reflns_number_gt                2647
_reflns_number_total             3658
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            lh2566.cif
_cod_data_source_block           I
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1058.4(2)
_cod_database_code               2217169
_cod_database_fobs_code          2217169
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
Fe Fe1 0.31969(6) 0.23928(4) 0.23357(4) 0.03344(18) Uani d . 1
N N1 0.2243(3) 0.4328(2) 0.1451(2) 0.0303(6) Uani d . 1
N N2 0.1580(4) 0.3649(2) 0.3383(2) 0.0338(7) Uani d . 1
N N3 0.1451(4) 0.3167(3) 0.4458(2) 0.0384(7) Uani d . 1
H H3 0.0928 0.3633 0.4949 0.046 Uiso calc R 1
N N4 0.4403(4) 0.2535(3) 0.0791(2) 0.0370(7) Uani d . 1
N N5 0.5609(4) 0.1455(3) 0.0544(2) 0.0423(8) Uani d . 1
H H5 0.6117 0.1395 -0.0082 0.051 Uiso calc R 1
N N6 0.5139(4) 0.3108(3) 0.3122(2) 0.0391(7) Uani d . 1
O O1 0.0049(3) 0.5677(2) 0.37219(18) 0.0445(7) Uani d . 1
O O2 0.4513(4) 0.3481(2) -0.0965(2) 0.0585(8) Uani d . 1
O O3 0.2966(3) 0.1301(2) 0.39371(18) 0.0441(7) Uani d . 1
O O4 0.5115(3) 0.0678(2) 0.22480(18) 0.0427(6) Uani d . 1
O O5 0.1500(3) 0.1644(2) 0.18472(19) 0.0420(6) Uani d . 1
O O6 0.7483(4) 0.0858(3) 0.8604(2) 0.0673(9) Uani d . 1
H H6 0.7754 0.0083 0.8528 0.101 Uiso calc R 1
C C1 0.0853(4) 0.4869(3) 0.3119(3) 0.0309(8) Uani d . 1
C C2 0.1142(4) 0.5230(3) 0.1937(3) 0.0329(8) Uani d . 1
C C3 0.0382(5) 0.6368(3) 0.1377(3) 0.0466(10) Uani d . 1
H H3A -0.0392 0.6984 0.1725 0.056 Uiso calc R 1
C C4 0.0788(5) 0.6583(4) 0.0286(3) 0.0543(12) Uani d . 1
H H4 0.0276 0.7342 -0.0112 0.065 Uiso calc R 1
C C5 0.1959(5) 0.5662(3) -0.0208(3) 0.0473(10) Uani d . 1
H H5A 0.2262 0.5796 -0.0939 0.057 Uiso calc R 1
C C6 0.2669(4) 0.4542(3) 0.0403(3) 0.0331(8) Uani d . 1
C C7 0.3972(5) 0.3455(3) -0.0011(3) 0.0374(9) Uani d . 1
C C8 0.2196(5) 0.1930(3) 0.4677(3) 0.0412(9) Uani d . 1
C C9 0.2090(6) 0.1342(4) 0.5816(3) 0.0655(14) Uani d . 1
H H9A 0.1532 0.0636 0.5849 0.098 Uiso calc R 1
H H9B 0.1479 0.1984 0.6262 0.098 Uiso calc R 1
H H9C 0.3190 0.1026 0.6072 0.098 Uiso calc R 1
C C10 0.5907(5) 0.0531(3) 0.1351(3) 0.0394(9) Uani d . 1
C C11 0.7196(5) -0.0667(4) 0.1174(3) 0.0561(12) Uani d . 1
H H11A 0.8101 -0.0731 0.1634 0.084 Uiso calc R 1
H H11B 0.7600 -0.0628 0.0431 0.084 Uiso calc R 1
H H11C 0.6714 -0.1413 0.1341 0.084 Uiso calc R 1
C C12 0.5929(5) 0.2396(4) 0.3965(3) 0.0560(11) Uani d . 1
H H12 0.5816 0.1544 0.4128 0.067 Uiso calc R 1
C C13 0.6902(6) 0.2880(6) 0.4597(4) 0.0707(14) Uani d . 1
H H13 0.7425 0.2363 0.5180 0.085 Uiso calc R 1
C C14 0.7092(6) 0.4122(6) 0.4364(4) 0.0709(14) Uani d . 1
H H14 0.7723 0.4472 0.4792 0.085 Uiso calc R 1
C C15 0.6335(6) 0.4841(5) 0.3486(4) 0.0683(13) Uani d . 1
H H15 0.6469 0.5684 0.3295 0.082 Uiso calc R 1
C C16 0.5374(5) 0.4305(4) 0.2890(3) 0.0503(10) Uani d . 1
H H16 0.4863 0.4804 0.2295 0.060 Uiso calc R 1
C C17 -0.0016(6) 0.1640(4) 0.2357(4) 0.0607(12) Uani d . 1
H H17A 0.0131 0.1184 0.3066 0.091 Uiso calc R 1
H H17B -0.0639 0.1218 0.1945 0.091 Uiso calc R 1
H H17C -0.0607 0.2516 0.2419 0.091 Uiso calc R 1
C C18 0.7218(7) 0.1580(4) 0.7573(4) 0.0744(15) Uani d . 1
H H18A 0.6765 0.2475 0.7668 0.112 Uiso calc R 1
H H18B 0.6454 0.1248 0.7195 0.112 Uiso calc R 1
H H18C 0.8257 0.1503 0.7160 0.112 Uiso calc R 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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O5 Fe1 N4 93.67(11)
O5 Fe1 O4 94.66(10)
N4 Fe1 O4 72.86(9)
O5 Fe1 N2 96.21(11)
N4 Fe1 N2 138.16(10)
O4 Fe1 N2 145.91(10)
O5 Fe1 O3 88.85(10)
N4 Fe1 O3 149.43(10)
O4 Fe1 O3 76.57(9)
N2 Fe1 O3 71.46(9)
O5 Fe1 N1 93.58(10)
N4 Fe1 N1 69.58(10)
O4 Fe1 N1 141.95(10)
N2 Fe1 N1 69.30(10)
O3 Fe1 N1 140.72(9)
O5 Fe1 N6 172.22(11)
N4 Fe1 N6 92.96(11)
O4 Fe1 N6 83.42(10)
N2 Fe1 N6 81.48(11)
O3 Fe1 N6 83.37(10)
N1 Fe1 N6 92.54(10)
C2 N1 C6 120.0(3)
C2 N1 Fe1 120.3(2)
C6 N1 Fe1 119.5(2)
C1 N2 N3 117.5(3)
C1 N2 Fe1 125.9(2)
N3 N2 Fe1 116.18(18)
C8 N3 N2 114.9(3)
C8 N3 H3 122.5
N2 N3 H3 122.5
C7 N4 N5 116.8(3)
C7 N4 Fe1 126.6(2)
N5 N4 Fe1 115.8(2)
C10 N5 N4 114.3(3)
C10 N5 H5 122.9
N4 N5 H5 122.9
C16 N6 C12 117.2(4)
C16 N6 Fe1 122.0(3)
C12 N6 Fe1 120.1(3)
C8 O3 Fe1 116.7(2)
C10 O4 Fe1 117.0(2)
C17 O5 Fe1 125.7(2)
C18 O6 H6 109.5
O1 C1 N2 128.4(3)
O1 C1 C2 121.3(3)
N2 C1 C2 110.3(3)
N1 C2 C3 121.6(3)
N1 C2 C1 113.5(3)
C3 C2 C1 125.0(3)
C2 C3 C4 118.8(3)
C2 C3 H3A 120.6
C4 C3 H3A 120.6
C3 C4 C5 119.5(3)
C3 C4 H4 120.3
C5 C4 H4 120.3
C6 C5 C4 118.6(3)
C6 C5 H5A 120.7
C4 C5 H5A 120.7
N1 C6 C5 121.5(3)
N1 C6 C7 113.4(3)
C5 C6 C7 125.1(3)
O2 C7 N4 128.1(3)
O2 C7 C6 122.4(3)
N4 C7 C6 109.5(3)
O3 C8 N3 120.0(3)
O3 C8 C9 122.1(3)
N3 C8 C9 117.9(3)
C8 C9 H9A 109.5
C8 C9 H9B 109.5
H9A C9 H9B 109.5
C8 C9 H9C 109.5
H9A C9 H9C 109.5
H9B C9 H9C 109.5
O4 C10 N5 119.8(3)
O4 C10 C11 121.7(3)
N5 C10 C11 118.6(3)
C10 C11 H11A 109.5
C10 C11 H11B 109.5
H11A C11 H11B 109.5
C10 C11 H11C 109.5
H11A C11 H11C 109.5
H11B C11 H11C 109.5
N6 C12 C13 122.4(4)
N6 C12 H12 118.8
C13 C12 H12 118.8
C14 C13 C12 119.6(4)
C14 C13 H13 120.2
C12 C13 H13 120.2
C13 C14 C15 118.5(4)
C13 C14 H14 120.8
C15 C14 H14 120.8
C14 C15 C16 119.2(5)
C14 C15 H15 120.4
C16 C15 H15 120.4
N6 C16 C15 123.2(4)
N6 C16 H16 118.4
C15 C16 H16 118.4
O5 C17 H17A 109.5
O5 C17 H17B 109.5
H17A C17 H17B 109.5
O5 C17 H17C 109.5
H17A C17 H17C 109.5
H17B C17 H17C 109.5
O6 C18 H18A 109.5
O6 C18 H18B 109.5
H18A C18 H18B 109.5
O6 C18 H18C 109.5
H18A C18 H18C 109.5
H18B C18 H18C 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Fe1 O5 1.922(3) y
Fe1 N4 2.107(3) y
Fe1 O4 2.142(2) y
Fe1 N2 2.150(3) y
Fe1 O3 2.209(2) y
Fe1 N1 2.228(3) y
Fe1 N6 2.245(3) y
N1 C2 1.334(4) ?
N1 C6 1.334(4) ?
N2 C1 1.319(4) ?
N2 N3 1.384(4) ?
N3 C8 1.330(4) ?
N3 H3 0.8600 ?
N4 C7 1.325(4) ?
N4 N5 1.391(4) ?
N5 C10 1.320(4) ?
N5 H5 0.8600 ?
N6 C16 1.327(5) ?
N6 C12 1.341(4) ?
O1 C1 1.251(4) ?
O2 C7 1.238(4) ?
O3 C8 1.252(4) ?
O4 C10 1.260(4) ?
O5 C17 1.363(5) ?
O6 C18 1.424(5) ?
O6 H6 0.8200 ?
C1 C2 1.494(4) ?
C2 C3 1.372(5) ?
C3 C4 1.381(5) ?
C3 H3A 0.9300 ?
C4 C5 1.381(5) ?
C4 H4 0.9300 ?
C5 C6 1.375(5) ?
C5 H5A 0.9300 ?
C6 C7 1.505(4) ?
C8 C9 1.489(5) ?
C9 H9A 0.9600 ?
C9 H9B 0.9600 ?
C9 H9C 0.9600 ?
C10 C11 1.495(5) ?
C11 H11A 0.9600 ?
C11 H11B 0.9600 ?
C11 H11C 0.9600 ?
C12 C13 1.377(6) ?
C12 H12 0.9300 ?
C13 C14 1.361(7) ?
C13 H13 0.9300 ?
C14 C15 1.366(6) ?
C14 H14 0.9300 ?
C15 C16 1.374(6) ?
C15 H15 0.9300 ?
C16 H16 0.9300 ?
C17 H17A 0.9600 ?
C17 H17B 0.9600 ?
C17 H17C 0.9600 ?
C18 H18A 0.9600 ?
C18 H18B 0.9600 ?
C18 H18C 0.9600 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N3 H3 O1 2_566 0.86 1.94 2.780(3) 166.6
N5 H5 O6 1_554 0.86 1.98 2.830(4) 167.4
O6 H6 O5 2_656 0.82 1.90 2.718(3) 172.0
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
O5 Fe1 N1 C2 91.5(3)
N4 Fe1 N1 C2 -175.9(3)
O4 Fe1 N1 C2 -166.3(2)
N2 Fe1 N1 C2 -3.8(2)
O3 Fe1 N1 C2 -1.1(3)
N6 Fe1 N1 C2 -83.7(3)
O5 Fe1 N1 C6 -82.8(3)
N4 Fe1 N1 C6 9.8(2)
O4 Fe1 N1 C6 19.5(3)
N2 Fe1 N1 C6 -178.1(3)
O3 Fe1 N1 C6 -175.3(2)
N6 Fe1 N1 C6 102.0(3)
O5 Fe1 N2 C1 -93.7(3)
N4 Fe1 N2 C1 8.9(4)
O4 Fe1 N2 C1 158.5(2)
O3 Fe1 N2 C1 179.6(3)
N1 Fe1 N2 C1 -2.2(3)
N6 Fe1 N2 C1 93.8(3)
O5 Fe1 N2 N3 94.0(2)
N4 Fe1 N2 N3 -163.4(2)
O4 Fe1 N2 N3 -13.9(4)
O3 Fe1 N2 N3 7.3(2)
N1 Fe1 N2 N3 -174.5(3)
N6 Fe1 N2 N3 -78.5(2)
C1 N2 N3 C8 179.5(3)
Fe1 N2 N3 C8 -7.5(4)
O5 Fe1 N4 C7 81.0(3)
O4 Fe1 N4 C7 174.7(3)
N2 Fe1 N4 C7 -22.6(4)
O3 Fe1 N4 C7 174.9(3)
N1 Fe1 N4 C7 -11.5(3)
N6 Fe1 N4 C7 -103.1(3)
O5 Fe1 N4 N5 -88.6(2)
O4 Fe1 N4 N5 5.1(2)
N2 Fe1 N4 N5 167.8(2)
O3 Fe1 N4 N5 5.3(4)
N1 Fe1 N4 N5 178.9(3)
N6 Fe1 N4 N5 87.3(2)
C7 N4 N5 C10 -175.5(3)
Fe1 N4 N5 C10 -4.8(4)
N4 Fe1 N6 C16 65.6(3)
O4 Fe1 N6 C16 138.0(3)
N2 Fe1 N6 C16 -72.7(3)
O3 Fe1 N6 C16 -144.8(3)
N1 Fe1 N6 C16 -4.0(3)
N4 Fe1 N6 C12 -124.6(3)
O4 Fe1 N6 C12 -52.3(3)
N2 Fe1 N6 C12 97.1(3)
O3 Fe1 N6 C12 24.9(3)
N1 Fe1 N6 C12 165.7(3)
O5 Fe1 O3 C8 -103.8(3)
N4 Fe1 O3 C8 161.0(3)
O4 Fe1 O3 C8 161.2(3)
N2 Fe1 O3 C8 -6.8(3)
N1 Fe1 O3 C8 -9.5(4)
N6 Fe1 O3 C8 76.4(3)
O5 Fe1 O4 C10 87.3(3)
N4 Fe1 O4 C10 -5.2(3)
N2 Fe1 O4 C10 -164.4(3)
O3 Fe1 O4 C10 175.0(3)
N1 Fe1 O4 C10 -14.6(4)
N6 Fe1 O4 C10 -100.3(3)
N4 Fe1 O5 C17 -159.1(3)
O4 Fe1 O5 C17 127.8(3)
N2 Fe1 O5 C17 -19.8(3)
O3 Fe1 O5 C17 51.4(3)
N1 Fe1 O5 C17 -89.3(3)
N3 N2 C1 O1 0.5(6)
Fe1 N2 C1 O1 -171.7(3)
N3 N2 C1 C2 179.0(3)
Fe1 N2 C1 C2 6.8(4)
C6 N1 C2 C3 2.2(5)
Fe1 N1 C2 C3 -172.0(3)
C6 N1 C2 C1 -177.5(3)
Fe1 N1 C2 C1 8.3(4)
O1 C1 C2 N1 169.5(3)
N2 C1 C2 N1 -9.2(4)
O1 C1 C2 C3 -10.3(6)
N2 C1 C2 C3 171.1(4)
N1 C2 C3 C4 -0.7(6)
C1 C2 C3 C4 179.0(4)
C2 C3 C4 C5 -1.0(6)
C3 C4 C5 C6 1.1(7)
C2 N1 C6 C5 -2.1(5)
Fe1 N1 C6 C5 172.1(3)
C2 N1 C6 C7 177.7(3)
Fe1 N1 C6 C7 -8.0(4)
C4 C5 C6 N1 0.4(6)
C4 C5 C6 C7 -179.4(4)
N5 N4 C7 O2 -0.2(6)
Fe1 N4 C7 O2 -169.8(3)
N5 N4 C7 C6 -179.7(3)
Fe1 N4 C7 C6 10.7(4)
N1 C6 C7 O2 179.6(4)
C5 C6 C7 O2 -0.5(6)
N1 C6 C7 N4 -0.8(4)
C5 C6 C7 N4 179.0(4)
Fe1 O3 C8 N3 5.4(5)
Fe1 O3 C8 C9 -174.0(3)
N2 N3 C8 O3 1.3(5)
N2 N3 C8 C9 -179.3(3)
Fe1 O4 C10 N5 4.4(5)
Fe1 O4 C10 C11 -175.9(3)
N4 N5 C10 O4 0.2(5)
N4 N5 C10 C11 -179.4(3)
C16 N6 C12 C13 2.2(6)
Fe1 N6 C12 C13 -168.0(3)
N6 C12 C13 C14 -0.5(7)
C12 C13 C14 C15 -1.5(7)
C13 C14 C15 C16 1.8(7)
C12 N6 C16 C15 -1.9(6)
Fe1 N6 C16 C15 168.1(3)
C14 C15 C16 N6 -0.1(7)
