#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/47/2204725.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_2204725
loop_
_publ_author_name
'Nielsen, Anne.'
'Bond, Andrew D.'
'McKenzie, Christine J.'
_publ_section_title
;μ-Oxo-bis(μ-2-furancarboxylato)bis{[N-methyl-N,N-bis(2-pyridylmethyl)amine]iron(III)}
 bis(perchlorate) methanol solvate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1959
_journal_page_last               m1960
_journal_paper_doi               10.1107/S1600536804030375
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[C36 H36 Fe2 N6 O7 2] (Cl O4)2 , C H4 O'
_chemical_formula_moiety         'C36 H36 Fe2 N6 O7 2+, 2(Cl O4 -), C H4 O'
_chemical_formula_sum            'C37 H40 Cl2 Fe2 N6 O16'
_chemical_formula_weight         1007.35
_chemical_name_systematic
;
 μ-oxo-bis(μ-2-furancarboxylato)bis(N-methyl-N,N-bis(2-pyridylmethyl)amine)
 diiron(III) bis(perchlorate) methanol solvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 111.2770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.1111(6)
_cell_length_b                   13.7316(5)
_cell_length_c                   20.1356(10)
_cell_measurement_reflns_used    5148
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      2.51
_cell_volume                     4151.0(3)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker-Nonius, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 2000)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker-Nonius X8APEX-II CCD diffractometer'
_diffrn_measurement_method       'thin-slice ω and φ 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  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            24686
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.68
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.908
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_correction_T_min  0.851
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2003)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.612
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2072
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.322
_refine_diff_density_min         -0.698
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     291
_refine_ls_number_reflns         5149
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0434
_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)+(0.0611P)²+6.5832P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1072
_refine_ls_wR_factor_ref         0.1200
_reflns_number_gt                3740
_reflns_number_total             5149
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            kp6012.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2204725
_cod_database_fobs_code          2204725
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_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
_atom_site_type_symbol
Fe1 0.40818(2) 0.58214(3) 0.759402(18) 0.02169(11) Uani d . 1 Fe
O1 0.5000 0.51660(17) 0.7500 0.0235(5) Uani d S 1 O
O2 0.38474(12) 0.67463(13) 0.67608(10) 0.0290(4) Uani d . 1 O
O3 0.52275(12) 0.68904(13) 0.67340(10) 0.0293(4) Uani d . 1 O
O4 0.46073(13) 0.80725(15) 0.55882(10) 0.0355(5) Uani d . 1 O
N1 0.40067(14) 0.50971(16) 0.85215(12) 0.0272(5) Uani d . 1 N
N2 0.28760(13) 0.64598(16) 0.77564(11) 0.0248(4) Uani d . 1 N
N3 0.30297(14) 0.49689(15) 0.69020(11) 0.0242(4) Uani d . 1 N
C1 0.43939(19) 0.4238(2) 0.87779(16) 0.0344(6) Uani d . 1 C
H1A 0.4693 0.3891 0.8522 0.041 Uiso calc R 1 H
C2 0.4368(2) 0.3846(3) 0.94021(18) 0.0453(8) Uani d . 1 C
H2A 0.4651 0.3243 0.9578 0.054 Uiso calc R 1 H
C3 0.3926(2) 0.4346(3) 0.97628(18) 0.0486(9) Uani d . 1 C
H3A 0.3907 0.4092 1.0196 0.058 Uiso calc R 1 H
C4 0.3507(2) 0.5221(3) 0.94964(16) 0.0414(7) Uani d . 1 C
H4A 0.3189 0.5566 0.9737 0.050 Uiso calc R 1 H
C5 0.35626(18) 0.5578(2) 0.88720(14) 0.0298(6) Uani d . 1 C
C6 0.31374(18) 0.6522(2) 0.85433(14) 0.0296(6) Uani d . 1 C
H6A 0.2605 0.6649 0.8666 0.036 Uiso calc R 1 H
H6B 0.3562 0.7065 0.8731 0.036 Uiso calc R 1 H
C7 0.21118(17) 0.5779(2) 0.74620(14) 0.0298(6) Uani d . 1 C
H7A 0.1553 0.6159 0.7269 0.036 Uiso calc R 1 H
H7B 0.2074 0.5362 0.7851 0.036 Uiso calc R 1 H
C8 0.21978(16) 0.51450(18) 0.68820(13) 0.0240(5) Uani d . 1 C
C9 0.14638(17) 0.4710(2) 0.63702(14) 0.0285(6) Uani d . 1 C
H9A 0.0879 0.4851 0.6353 0.034 Uiso calc R 1 H
C10 0.15932(18) 0.40742(19) 0.58894(14) 0.0292(6) Uani d . 1 C
H10A 0.1098 0.3769 0.5538 0.035 Uiso calc R 1 H
C11 0.24521(18) 0.3882(2) 0.59205(14) 0.0294(6) Uani d . 1 C
H11A 0.2555 0.3442 0.5594 0.035 Uiso calc R 1 H
C12 0.31515(18) 0.43404(18) 0.64339(14) 0.0269(5) Uani d . 1 C
H12A 0.3741 0.4209 0.6459 0.032 Uiso calc R 1 H
C13 0.2624(2) 0.7440(2) 0.74408(16) 0.0370(7) Uani d . 1 C
H13A 0.2153 0.7708 0.7588 0.055 Uiso calc R 1 H
H13B 0.2406 0.7392 0.6920 0.055 Uiso calc R 1 H
H13C 0.3145 0.7869 0.7606 0.055 Uiso calc R 1 H
C14 0.44101(17) 0.70867(18) 0.65164(13) 0.0237(5) Uani d . 1 C
C15 0.40502(17) 0.77684(19) 0.59218(14) 0.0269(5) Uani d . 1 C
C16 0.3246(2) 0.8170(3) 0.56111(19) 0.0484(9) Uani d . 1 C
H16A 0.2741 0.8074 0.5741 0.058 Uiso calc R 1 H
C17 0.3291(2) 0.8765(3) 0.5051(2) 0.0567(10) Uani d . 1 C
H17A 0.2825 0.9149 0.4734 0.068 Uiso calc R 1 H
C18 0.4117(2) 0.8678(2) 0.50587(17) 0.0433(8) Uani d . 1 C
H18A 0.4334 0.8998 0.4736 0.052 Uiso calc R 1 H
Cl1 0.57741(5) 0.81958(6) 0.39015(4) 0.04188(19) Uani d . 1 Cl
O1A 0.61093(18) 0.7558(2) 0.45045(13) 0.0602(7) Uani d . 1 O
O1B 0.5887(2) 0.7768(3) 0.33031(14) 0.0804(10) Uani d . 1 O
O1C 0.4888(2) 0.8386(3) 0.3761(2) 0.1177(16) Uani d . 1 O
O1D 0.6305(4) 0.9053(3) 0.4059(2) 0.1320(18) Uani d . 1 O
O1S 0.4188(5) 0.9338(5) 0.7078(4) 0.090(2) Uani d P 0.50 O
H1S 0.4055 0.9779 0.6768 0.134 Uiso d PR 0.50 H
C1S 0.5000 0.9535(6) 0.7500 0.083(2) Uani d S 1 C
H2S 0.5152 1.0210 0.7433 0.124 Uiso d PR 0.50 H
H3S 0.5413 0.9093 0.7393 0.124 Uiso d PR 0.50 H
H4S 0.5046 0.9441 0.7995 0.124 Uiso d PR 0.50 H
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'
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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 Fe1 O2 . . 98.03(7)
O1 Fe1 O3 . 2_656 99.14(7)
O2 Fe1 O3 . 2_656 89.49(8)
O1 Fe1 N3 . . 98.44(8)
O2 Fe1 N3 . . 86.42(8)
O3 Fe1 N3 2_656 . 162.33(8)
O1 Fe1 N1 . . 99.61(7)
O2 Fe1 N1 . . 162.34(8)
O3 Fe1 N1 2_656 . 86.89(8)
N3 Fe1 N1 . . 91.83(8)
O1 Fe1 N2 . . 172.61(9)
O2 Fe1 N2 . . 87.99(8)
O3 Fe1 N2 2_656 . 85.14(7)
N3 Fe1 N2 . . 77.56(8)
N1 Fe1 N2 . . 74.49(8)
Fe1 O1 Fe1 2_656 . 119.98(13)
C14 O2 Fe1 . . 127.42(16)
C14 O3 Fe1 . 2_656 129.64(17)
C18 O4 C15 . . 105.9(2)
C5 N1 C1 . . 119.3(2)
C5 N1 Fe1 . . 115.77(17)
C1 N1 Fe1 . . 124.89(18)
C13 N2 C7 . . 110.0(2)
C13 N2 C6 . . 109.4(2)
C7 N2 C6 . . 109.5(2)
C13 N2 Fe1 . . 114.01(16)
C7 N2 Fe1 . . 109.22(15)
C6 N2 Fe1 . . 104.51(14)
C12 N3 C8 . . 119.4(2)
C12 N3 Fe1 . . 122.11(17)
C8 N3 Fe1 . . 118.09(17)
N1 C1 C2 . . 121.8(3)
N1 C1 H1A . . 119.1
C2 C1 H1A . . 119.1
C3 C2 C1 . . 118.7(3)
C3 C2 H2A . . 120.7
C1 C2 H2A . . 120.7
C2 C3 C4 . . 120.1(3)
C2 C3 H3A . . 119.9
C4 C3 H3A . . 119.9
C5 C4 C3 . . 118.4(3)
C5 C4 H4A . . 120.8
C3 C4 H4A . . 120.8
N1 C5 C4 . . 121.6(3)
N1 C5 C6 . . 115.9(2)
C4 C5 C6 . . 122.5(3)
N2 C6 C5 . . 109.1(2)
N2 C6 H6A . . 109.9
C5 C6 H6A . . 109.9
N2 C6 H6B . . 109.9
C5 C6 H6B . . 109.9
H6A C6 H6B . . 108.3
N2 C7 C8 . . 112.2(2)
N2 C7 H7A . . 109.2
C8 C7 H7A . . 109.2
N2 C7 H7B . . 109.2
C8 C7 H7B . . 109.2
H7A C7 H7B . . 107.9
N3 C8 C9 . . 120.9(2)
N3 C8 C7 . . 116.9(2)
C9 C8 C7 . . 122.1(2)
C10 C9 C8 . . 119.3(2)
C10 C9 H9A . . 120.3
C8 C9 H9A . . 120.3
C9 C10 C11 . . 119.5(2)
C9 C10 H10A . . 120.2
C11 C10 H10A . . 120.2
C12 C11 C10 . . 118.6(3)
C12 C11 H11A . . 120.7
C10 C11 H11A . . 120.7
N3 C12 C11 . . 122.2(2)
N3 C12 H12A . . 118.9
C11 C12 H12A . . 118.9
N2 C13 H13A . . 109.5
N2 C13 H13B . . 109.5
H13A C13 H13B . . 109.5
N2 C13 H13C . . 109.5
H13A C13 H13C . . 109.5
H13B C13 H13C . . 109.5
O3 C14 O2 . . 126.3(2)
O3 C14 C15 . . 118.4(2)
O2 C14 C15 . . 115.3(2)
C16 C15 O4 . . 110.0(2)
C16 C15 C14 . . 132.5(3)
O4 C15 C14 . . 117.5(2)
C15 C16 C17 . . 106.8(3)
C15 C16 H16A . . 126.6
C17 C16 H16A . . 126.6
C18 C17 C16 . . 106.2(3)
C18 C17 H17A . . 126.9
C16 C17 H17A . . 126.9
C17 C18 O4 . . 111.0(3)
C17 C18 H18A . . 124.5
O4 C18 H18A . . 124.5
O1C Cl1 O1B . . 110.5(2)
O1C Cl1 O1D . . 112.6(3)
O1B Cl1 O1D . . 106.4(3)
O1C Cl1 O1A . . 109.46(18)
O1B Cl1 O1A . . 110.07(18)
O1D Cl1 O1A . . 107.8(2)
C1S O1S H1S . . 105.1
O1S C1S H2S . . 110.3
O1S C1S H3S . . 109.2
H2S C1S H3S . . 109.5
O1S C1S H4S . . 108.8
H2S C1S H4S . . 109.5
H3S C1S H4S . . 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Fe1 O1 . 1.7993(12)
Fe1 O2 . 2.0274(18)
Fe1 O3 2_656 2.0325(18)
Fe1 N3 . 2.114(2)
Fe1 N1 . 2.158(2)
Fe1 N2 . 2.261(2)
O1 Fe1 2_656 1.7993(12)
O2 C14 . 1.267(3)
O3 C14 . 1.257(3)
O3 Fe1 2_656 2.0326(18)
O4 C18 . 1.357(3)
O4 C15 . 1.367(3)
N1 C5 . 1.347(3)
N1 C1 . 1.347(3)
N2 C13 . 1.481(3)
N2 C7 . 1.487(3)
N2 C6 . 1.487(3)
N3 C12 . 1.344(3)
N3 C8 . 1.348(3)
C1 C2 . 1.381(4)
C1 H1A . 0.950
C2 C3 . 1.371(5)
C2 H2A . 0.950
C3 C4 . 1.387(5)
C3 H3A . 0.950
C4 C5 . 1.383(4)
C4 H4A . 0.950
C5 C6 . 1.503(4)
C6 H6A . 0.990
C6 H6B . 0.990
C7 C8 . 1.503(4)
C7 H7A . 0.990
C7 H7B . 0.990
C8 C9 . 1.390(4)
C9 C10 . 1.375(4)
C9 H9A . 0.950
C10 C11 . 1.388(4)
C10 H10A . 0.950
C11 C12 . 1.375(4)
C11 H11A . 0.950
C12 H12A . 0.950
C13 H13A . 0.980
C13 H13B . 0.980
C13 H13C . 0.980
C14 C15 . 1.464(3)
C15 C16 . 1.337(4)
C16 C17 . 1.415(4)
C16 H16A . 0.950
C17 C18 . 1.331(5)
C17 H17A . 0.950
C18 H18A . 0.950
Cl1 O1C . 1.376(3)
Cl1 O1B . 1.410(3)
Cl1 O1D . 1.421(4)
Cl1 O1A . 1.434(3)
O1S C1S . 1.304(8)
O1S H1S . 0.840
C1S H2S . 0.980
C1S H3S . 0.980
C1S H4S . 0.980
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_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O2 Fe1 O1 Fe1 . 2_656 49.52(5)
O3 Fe1 O1 Fe1 2_656 2_656 -41.25(6)
N3 Fe1 O1 Fe1 . 2_656 137.06(6)
N1 Fe1 O1 Fe1 . 2_656 -129.62(6)
O1 Fe1 O2 C14 . . -31.2(2)
O3 Fe1 O2 C14 2_656 . 67.9(2)
N3 Fe1 O2 C14 . . -129.3(2)
N1 Fe1 O2 C14 . . 146.0(3)
N2 Fe1 O2 C14 . . 153.1(2)
O1 Fe1 N1 C5 . . 161.40(18)
O2 Fe1 N1 C5 . . -15.8(4)
O3 Fe1 N1 C5 2_656 . 62.65(19)
N3 Fe1 N1 C5 . . -99.72(19)
N2 Fe1 N1 C5 . . -23.17(18)
O1 Fe1 N1 C1 . . -16.0(2)
O2 Fe1 N1 C1 . . 166.8(2)
O3 Fe1 N1 C1 2_656 . -114.8(2)
N3 Fe1 N1 C1 . . 82.9(2)
N2 Fe1 N1 C1 . . 159.4(2)
O2 Fe1 N2 C13 . . -21.43(18)
O3 Fe1 N2 C13 2_656 . 68.22(18)
N3 Fe1 N2 C13 . . -108.20(18)
N1 Fe1 N2 C13 . . 156.34(19)
O2 Fe1 N2 C7 . . 102.03(16)
O3 Fe1 N2 C7 2_656 . -168.31(17)
N3 Fe1 N2 C7 . . 15.26(16)
N1 Fe1 N2 C7 . . -80.20(17)
O2 Fe1 N2 C6 . . -140.83(16)
O3 Fe1 N2 C6 2_656 . -51.17(16)
N3 Fe1 N2 C6 . . 132.40(17)
N1 Fe1 N2 C6 . . 36.94(16)
O1 Fe1 N3 C12 . . -15.4(2)
O2 Fe1 N3 C12 . . 82.2(2)
O3 Fe1 N3 C12 2_656 . 159.2(2)
N1 Fe1 N3 C12 . . -115.4(2)
N2 Fe1 N3 C12 . . 171.0(2)
O1 Fe1 N3 C8 . . 171.91(17)
O2 Fe1 N3 C8 . . -90.50(18)
O3 Fe1 N3 C8 2_656 . -13.6(4)
N1 Fe1 N3 C8 . . 71.91(18)
N2 Fe1 N3 C8 . . -1.77(17)
C5 N1 C1 C2 . . -1.7(4)
Fe1 N1 C1 C2 . . 175.6(2)
N1 C1 C2 C3 . . 0.8(5)
C1 C2 C3 C4 . . 0.7(5)
C2 C3 C4 C5 . . -1.2(5)
C1 N1 C5 C4 . . 1.2(4)
Fe1 N1 C5 C4 . . -176.4(2)
C1 N1 C5 C6 . . -179.0(2)
Fe1 N1 C5 C6 . . 3.5(3)
C3 C4 C5 N1 . . 0.3(5)
C3 C4 C5 C6 . . -179.6(3)
C13 N2 C6 C5 . . -168.8(2)
C7 N2 C6 C5 . . 70.5(3)
Fe1 N2 C6 C5 . . -46.4(2)
N1 C5 C6 N2 . . 30.7(3)
C4 C5 C6 N2 . . -149.4(3)
C13 N2 C7 C8 . . 100.1(3)
C6 N2 C7 C8 . . -139.6(2)
Fe1 N2 C7 C8 . . -25.7(3)
C12 N3 C8 C9 . . -2.1(4)
Fe1 N3 C8 C9 . . 170.87(19)
C12 N3 C8 C7 . . 174.3(2)
Fe1 N3 C8 C7 . . -12.7(3)
N2 C7 C8 N3 . . 26.4(3)
N2 C7 C8 C9 . . -157.3(2)
N3 C8 C9 C10 . . 1.5(4)
C7 C8 C9 C10 . . -174.7(2)
C8 C9 C10 C11 . . -0.3(4)
C9 C10 C11 C12 . . -0.3(4)
C8 N3 C12 C11 . . 1.4(4)
Fe1 N3 C12 C11 . . -171.2(2)
C10 C11 C12 N3 . . -0.3(4)
Fe1 O3 C14 O2 2_656 . 12.1(4)
Fe1 O3 C14 C15 2_656 . -167.63(17)
Fe1 O2 C14 O3 . . 2.3(4)
Fe1 O2 C14 C15 . . -178.02(16)
C18 O4 C15 C16 . . 0.0(4)
C18 O4 C15 C14 . . 179.1(2)
O3 C14 C15 C16 . . -174.3(3)
O2 C14 C15 C16 . . 5.9(5)
O3 C14 C15 O4 . . 6.8(4)
O2 C14 C15 O4 . . -172.9(2)
O4 C15 C16 C17 . . -0.3(4)
C14 C15 C16 C17 . . -179.2(3)
C15 C16 C17 C18 . . 0.4(5)
C16 C17 C18 O4 . . -0.4(5)
C15 O4 C18 C17 . . 0.3(4)
