#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:26:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179110 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/72/4307264.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_4307264
loop_
_publ_author_name
'Li-Na Zhu'
'Na Xu'
'Wei Zhang'
'Dai-Zheng Liao'
'Kazuyoshi Yoshimura'
'Ko Mibu'
'Zong-Hui Jiang'
'Shi-Ping Yan'
'Peng Cheng'
_publ_section_title
;
Heteronuclear Complexes of Macrocyclic Oxamide with Co-ligands:
Syntheses, Crystal Structures, and Magnetic Properties
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1297
_journal_page_last               1304
_journal_paper_doi               10.1021/ic061792m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C24 H22 Cu Fe N10 O6'
_chemical_formula_weight         665.91
_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                101.378(6)
_cell_angle_beta                 106.967(6)
_cell_angle_gamma                116.291(4)
_cell_formula_units_Z            2
_cell_length_a                   10.763(4)
_cell_length_b                   11.936(4)
_cell_length_c                   12.510(7)
_cell_measurement_reflns_used    2052
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.82
_cell_measurement_theta_min      2.34
_cell_volume                     1274.3(10)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker SAINT'
_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 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'APEX II 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  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0398
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6785
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.84
_exptl_absorpt_coefficient_mu    1.467
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.128136
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             678
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.821
_refine_diff_density_min         -0.771
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         4420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0583
_refine_ls_R_factor_gt           0.0407
_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)+(0.0623P)²+1.3883P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1210
_reflns_number_gt                3336
_reflns_number_total             4420
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic061792msi20060921_033716.cif
_cod_data_source_block           50316c
_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.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed
to 'multi-scan' 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:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1274.4(10)
_cod_database_code               4307264
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
Cu1 Cu 0.22713(6) 0.97019(5) 0.33258(4) 0.02948(16) Uani 1 1 d . . .
Fe1 Fe 0.28798(6) 1.04734(5) 0.77627(4) 0.02503(17) Uani 1 1 d . . .
O1 O 0.1906(4) 0.6124(3) 0.0508(3) 0.0466(8) Uani 1 1 d . . .
O2 O 0.4464(4) 0.7479(3) 0.1179(3) 0.0474(8) Uani 1 1 d . . .
O3 O 0.1272(4) 1.2353(4) 0.0755(3) 0.0526(9) Uani 1 1 d . . .
O4 O 0.3737(3) 1.3366(3) 0.2055(3) 0.0412(7) Uani 1 1 d . . .
O5 O 0.2387(4) 1.1183(3) 0.6502(2) 0.0404(7) Uani 1 1 d . . .
O6 O 0.3396(3) 0.9600(3) 0.6599(2) 0.0375(7) Uani 1 1 d . . .
N1 N 0.2917(4) 0.9039(3) 0.4568(3) 0.0286(7) Uani 1 1 d . . .
N2 N 0.2764(4) 0.8765(3) 0.2220(3) 0.0293(7) Uani 1 1 d . . .
N3 N 0.2223(4) 1.0738(3) 0.2295(3) 0.0314(8) Uani 1 1 d . . .
N4 N 0.2030(4) 1.0827(3) 0.4509(3) 0.0284(7) Uani 1 1 d . . .
N5 N 0.3246(6) 0.9556(5) 0.8811(4) 0.0635(13) Uani 1 1 d . . .
N6 N 0.3392(5) 0.8632(5) 0.8472(4) 0.0501(10) Uani 1 1 d . . .
N7 N 0.3536(6) 0.7741(5) 0.8194(5) 0.0697(14) Uani 1 1 d . . .
N8 N 0.2015(5) 1.1203(5) 0.8640(3) 0.0501(10) Uani 1 1 d . . .
N9 N 0.1203(4) 1.1578(4) 0.8190(3) 0.0374(9) Uani 1 1 d . . .
N10 N 0.0419(4) 1.1957(4) 0.7801(3) 0.0433(9) Uani 1 1 d . . .
C1 C 0.2407(4) 1.0648(4) 0.5534(3) 0.0289(9) Uani 1 1 d . . .
C2 C 0.2959(4) 0.9683(4) 0.5588(3) 0.0289(9) Uani 1 1 d . . .
C3 C 0.3348(4) 0.8083(4) 0.4470(3) 0.0290(9) Uani 1 1 d . . .
C4 C 0.3597(5) 0.7557(4) 0.5364(4) 0.0402(11) Uani 1 1 d . . .
H4 H 0.3472 0.7849 0.6049 0.048 Uiso 1 1 calc R . .
C5 C 0.4019(6) 0.6622(5) 0.5261(4) 0.0455(12) Uani 1 1 d . . .
H5 H 0.4163 0.6287 0.5868 0.055 Uiso 1 1 calc R . .
C6 C 0.4230(6) 0.6178(5) 0.4261(4) 0.0439(11) Uani 1 1 d . . .
H6 H 0.4552 0.5571 0.4201 0.053 Uiso 1 1 calc R . .
C7 C 0.3958(5) 0.6645(4) 0.3366(4) 0.0381(10) Uani 1 1 d . . .
H7 H 0.4074 0.6323 0.2685 0.046 Uiso 1 1 calc R . .
C8 C 0.3513(5) 0.7583(4) 0.3416(3) 0.0295(9) Uani 1 1 d . . .
C9 C 0.3183(4) 0.7931(4) 0.2347(3) 0.0295(9) Uani 1 1 d . . .
C10 C 0.3299(5) 0.7168(4) 0.1284(4) 0.0345(10) Uani 1 1 d . . .
C11 C 0.1743(7) 0.5245(6) -0.0583(4) 0.0691(17) Uani 1 1 d . . .
H11A H 0.2731 0.5602 -0.0613 0.083 Uiso 1 1 calc R . .
H11B H 0.1405 0.4351 -0.0565 0.083 Uiso 1 1 calc R . .
C12 C 0.0636(6) 0.5148(6) -0.1656(4) 0.0631(15) Uani 1 1 d . . .
H12A H -0.0309 0.4887 -0.1586 0.095 Uiso 1 1 calc R . .
H12B H 0.0451 0.4484 -0.2357 0.095 Uiso 1 1 calc R . .
H12C H 0.1037 0.6009 -0.1732 0.095 Uiso 1 1 calc R . .
C13 C 0.2409(5) 0.9000(4) 0.1088(4) 0.0374(10) Uani 1 1 d . . .
H13A H 0.1331 0.8368 0.0541 0.045 Uiso 1 1 calc R . .
H13B H 0.3017 0.8867 0.0697 0.045 Uiso 1 1 calc R . .
C14 C 0.2774(5) 1.0431(4) 0.1384(4) 0.0397(10) Uani 1 1 d . . .
H14A H 0.3873 1.1056 0.1702 0.048 Uiso 1 1 calc R . .
H14B H 0.2271 1.0529 0.0658 0.048 Uiso 1 1 calc R . .
C15 C 0.1966(5) 1.1690(4) 0.2435(4) 0.0319(9) Uani 1 1 d . . .
C16 C 0.2249(5) 1.2504(4) 0.1633(4) 0.0348(10) Uani 1 1 d . . .
C17 C 0.4267(6) 1.4093(5) 0.1303(4) 0.0524(13) Uani 1 1 d . . .
H17A H 0.3668 1.4482 0.1043 0.063 Uiso 1 1 calc R . .
H17B H 0.4150 1.3479 0.0592 0.063 Uiso 1 1 calc R . .
C18 C 0.5919(6) 1.5181(5) 0.2051(5) 0.0613(15) Uani 1 1 d . . .
H18A H 0.6016 1.5806 0.2732 0.092 Uiso 1 1 calc R . .
H18B H 0.6309 1.5650 0.1571 0.092 Uiso 1 1 calc R . .
H18C H 0.6494 1.4788 0.2330 0.092 Uiso 1 1 calc R . .
C19 C 0.1438(5) 1.2079(4) 0.3316(3) 0.0305(9) Uani 1 1 d . . .
C20 C 0.0865(5) 1.2914(4) 0.3154(4) 0.0415(11) Uani 1 1 d . . .
H20 H 0.0851 1.3191 0.2508 0.050 Uiso 1 1 calc R . .
C21 C 0.0325(6) 1.3338(5) 0.3909(4) 0.0479(12) Uani 1 1 d . . .
H21 H -0.0050 1.3890 0.3775 0.057 Uiso 1 1 calc R . .
C22 C 0.0345(5) 1.2933(5) 0.4873(4) 0.0424(11) Uani 1 1 d . . .
H22 H -0.0025 1.3209 0.5388 0.051 Uiso 1 1 calc R . .
C23 C 0.0912(5) 1.2119(4) 0.5072(4) 0.0365(10) Uani 1 1 d . . .
H23 H 0.0923 1.1863 0.5729 0.044 Uiso 1 1 calc R . .
C24 C 0.1469(4) 1.1667(4) 0.4317(3) 0.0278(8) Uani 1 1 d . . .
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'
Cu Cu 0.3201 1.2651 '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
N2 Cu1 N4 173.10(14) . . ?
N2 Cu1 N3 85.65(14) . . ?
N4 Cu1 N3 92.38(14) . . ?
N2 Cu1 N1 92.97(14) . . ?
N4 Cu1 N1 87.16(13) . . ?
N3 Cu1 N1 164.43(14) . . ?
N2 Cu1 N10 91.75(14) . 2_576 ?
N4 Cu1 N10 94.95(14) . 2_576 ?
N3 Cu1 N10 92.58(14) . 2_576 ?
N1 Cu1 N10 102.97(14) . 2_576 ?
N5 Fe1 N8 93.71(19) . . ?
N5 Fe1 O6 92.80(16) . . ?
N8 Fe1 O6 169.15(14) . . ?
N5 Fe1 O5 172.19(17) . . ?
N8 Fe1 O5 91.76(15) . . ?
O6 Fe1 O5 80.97(12) . . ?
C10 O1 C11 118.3(4) . . ?
C16 O4 C17 117.3(3) . . ?
C1 O5 Fe1 114.3(3) . . ?
C2 O6 Fe1 114.0(3) . . ?
C2 N1 C3 122.8(3) . . ?
C2 N1 Cu1 109.4(3) . . ?
C3 N1 Cu1 127.8(2) . . ?
C9 N2 C13 121.5(3) . . ?
C9 N2 Cu1 127.4(3) . . ?
C13 N2 Cu1 110.8(3) . . ?
C15 N3 C14 121.0(3) . . ?
C15 N3 Cu1 127.3(3) . . ?
C14 N3 Cu1 111.0(3) . . ?
C1 N4 C24 123.2(3) . . ?
C1 N4 Cu1 110.1(3) . . ?
C24 N4 Cu1 126.6(3) . . ?
N6 N5 Fe1 120.4(3) . . ?
N7 N6 N5 177.1(5) . . ?
N9 N8 Fe1 122.0(3) . . ?
N10 N9 N8 177.2(4) . . ?
N9 N10 Cu1 116.9(3) . 2_576 ?
O5 C1 N4 129.0(4) . . ?
O5 C1 C2 114.2(3) . . ?
N4 C1 C2 116.8(3) . . ?
O6 C2 N1 128.7(4) . . ?
O6 C2 C1 115.0(3) . . ?
N1 C2 C1 116.3(3) . . ?
C4 C3 N1 122.6(4) . . ?
C4 C3 C8 117.2(4) . . ?
N1 C3 C8 120.2(3) . . ?
C5 C4 C3 122.2(4) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C4 C5 C6 120.3(4) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C7 C6 C5 118.7(4) . . ?
C7 C6 H6 120.7 . . ?
C5 C6 H6 120.7 . . ?
C6 C7 C8 123.5(4) . . ?
C6 C7 H7 118.3 . . ?
C8 C7 H7 118.3 . . ?
C7 C8 C3 118.0(4) . . ?
C7 C8 C9 116.8(4) . . ?
C3 C8 C9 125.1(4) . . ?
N2 C9 C8 126.1(4) . . ?
N2 C9 C10 118.3(3) . . ?
C8 C9 C10 115.5(3) . . ?
O2 C10 O1 126.3(4) . . ?
O2 C10 C9 124.8(4) . . ?
O1 C10 C9 108.8(4) . . ?
C12 C11 O1 110.6(5) . . ?
C12 C11 H11A 109.5 . . ?
O1 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
O1 C11 H11B 109.5 . . ?
H11A C11 H11B 108.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 108.5(3) . . ?
N2 C13 H13A 110.0 . . ?
C14 C13 H13A 110.0 . . ?
N2 C13 H13B 110.0 . . ?
C14 C13 H13B 110.0 . . ?
H13A C13 H13B 108.4 . . ?
N3 C14 C13 108.7(3) . . ?
N3 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
N3 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
N3 C15 C19 125.1(4) . . ?
N3 C15 C16 117.6(4) . . ?
C19 C15 C16 117.3(4) . . ?
O3 C16 O4 126.1(4) . . ?
O3 C16 C15 124.9(4) . . ?
O4 C16 C15 108.9(3) . . ?
O4 C17 C18 107.6(4) . . ?
O4 C17 H17A 110.2 . . ?
C18 C17 H17A 110.2 . . ?
O4 C17 H17B 110.2 . . ?
C18 C17 H17B 110.2 . . ?
H17A C17 H17B 108.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 C24 118.4(4) . . ?
C20 C19 C15 117.0(4) . . ?
C24 C19 C15 124.6(4) . . ?
C21 C20 C19 122.6(4) . . ?
C21 C20 H20 118.7 . . ?
C19 C20 H20 118.7 . . ?
C20 C21 C22 119.0(4) . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C23 C22 C21 120.3(4) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 122.1(4) . . ?
C22 C23 H23 119.0 . . ?
C24 C23 H23 119.0 . . ?
C23 C24 N4 122.2(3) . . ?
C23 C24 C19 117.6(4) . . ?
N4 C24 C19 120.1(3) . . ?
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
Cu1 N2 1.946(3) . ?
Cu1 N4 1.952(3) . ?
Cu1 N3 1.960(3) . ?
Cu1 N1 1.966(3) . ?
Cu1 N10 2.394(4) 2_576 ?
Fe1 N5 1.929(4) . ?
Fe1 N8 1.941(4) . ?
Fe1 O6 1.975(3) . ?
Fe1 O5 1.980(3) . ?
O1 C10 1.327(5) . ?
O1 C11 1.459(5) . ?
O2 C10 1.196(5) . ?
O3 C16 1.193(5) . ?
O4 C16 1.317(5) . ?
O4 C17 1.469(5) . ?
O5 C1 1.264(5) . ?
O6 C2 1.255(5) . ?
N1 C2 1.330(5) . ?
N1 C3 1.406(5) . ?
N2 C9 1.280(5) . ?
N2 C13 1.472(5) . ?
N3 C15 1.276(5) . ?
N3 C14 1.485(5) . ?
N4 C1 1.316(5) . ?
N4 C24 1.406(5) . ?
N5 N6 1.195(6) . ?
N6 N7 1.144(6) . ?
N8 N9 1.200(5) . ?
N9 N10 1.157(5) . ?
N10 Cu1 2.394(4) 2_576 ?
C1 C2 1.517(6) . ?
C3 C4 1.403(6) . ?
C3 C8 1.430(5) . ?
C4 C5 1.377(6) . ?
C4 H4 0.9300 . ?
C5 C6 1.381(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.360(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.396(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.470(5) . ?
C9 C10 1.527(6) . ?
C11 C12 1.455(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.510(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C19 1.467(6) . ?
C15 C16 1.531(5) . ?
C17 C18 1.492(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.402(6) . ?
C19 C24 1.430(5) . ?
C20 C21 1.371(6) . ?
C20 H20 0.9300 . ?
C21 C22 1.383(6) . ?
C21 H21 0.9300 . ?
C22 C23 1.382(6) . ?
C22 H22 0.9300 . ?
C23 C24 1.400(6) . ?
C23 H23 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N5 Fe1 O5 C1 -28.3(14) . . . . ?
N8 Fe1 O5 C1 -162.8(3) . . . . ?
O6 Fe1 O5 C1 9.1(3) . . . . ?
N5 Fe1 O6 C2 164.0(3) . . . . ?
N8 Fe1 O6 C2 37.2(9) . . . . ?
O5 Fe1 O6 C2 -11.2(3) . . . . ?
N2 Cu1 N1 C2 170.1(3) . . . . ?
N4 Cu1 N1 C2 -3.0(3) . . . . ?
N3 Cu1 N1 C2 85.6(6) . . . . ?
N10 Cu1 N1 C2 -97.4(3) 2_576 . . . ?
N2 Cu1 N1 C3 -7.3(3) . . . . ?
N4 Cu1 N1 C3 179.6(3) . . . . ?
N3 Cu1 N1 C3 -91.7(6) . . . . ?
N10 Cu1 N1 C3 85.2(3) 2_576 . . . ?
N4 Cu1 N2 C9 97.3(11) . . . . ?
N3 Cu1 N2 C9 170.9(4) . . . . ?
N1 Cu1 N2 C9 6.5(4) . . . . ?
N10 Cu1 N2 C9 -96.6(3) 2_576 . . . ?
N4 Cu1 N2 C13 -89.8(11) . . . . ?
N3 Cu1 N2 C13 -16.2(3) . . . . ?
N1 Cu1 N2 C13 179.4(3) . . . . ?
N10 Cu1 N2 C13 76.3(3) 2_576 . . . ?
N2 Cu1 N3 C15 -178.9(4) . . . . ?
N4 Cu1 N3 C15 -5.6(4) . . . . ?
N1 Cu1 N3 C15 -93.5(6) . . . . ?
N10 Cu1 N3 C15 89.5(4) 2_576 . . . ?
N2 Cu1 N3 C14 -7.9(3) . . . . ?
N4 Cu1 N3 C14 165.5(3) . . . . ?
N1 Cu1 N3 C14 77.6(6) . . . . ?
N10 Cu1 N3 C14 -99.4(3) 2_576 . . . ?
N2 Cu1 N4 C1 -90.4(11) . . . . ?
N3 Cu1 N4 C1 -163.6(3) . . . . ?
N1 Cu1 N4 C1 0.8(3) . . . . ?
N10 Cu1 N4 C1 103.6(3) 2_576 . . . ?
N2 Cu1 N4 C24 92.5(11) . . . . ?
N3 Cu1 N4 C24 19.3(3) . . . . ?
N1 Cu1 N4 C24 -176.3(3) . . . . ?
N10 Cu1 N4 C24 -73.5(3) 2_576 . . . ?
N8 Fe1 N5 N6 159.0(5) . . . . ?
O6 Fe1 N5 N6 -12.3(5) . . . . ?
O5 Fe1 N5 N6 24.7(16) . . . . ?
Fe1 N5 N6 N7 -177(100) . . . . ?
N5 Fe1 N8 N9 -159.4(4) . . . . ?
O6 Fe1 N8 N9 -32.6(11) . . . . ?
O5 Fe1 N8 N9 15.0(4) . . . . ?
Fe1 N8 N9 N10 -176(9) . . . . ?
N8 N9 N10 Cu1 -98(10) . . . 2_576 ?
Fe1 O5 C1 N4 174.7(3) . . . . ?
Fe1 O5 C1 C2 -5.9(4) . . . . ?
C24 N4 C1 O5 -2.0(7) . . . . ?
Cu1 N4 C1 O5 -179.2(4) . . . . ?
C24 N4 C1 C2 178.6(3) . . . . ?
Cu1 N4 C1 C2 1.4(4) . . . . ?
Fe1 O6 C2 N1 -168.8(3) . . . . ?
Fe1 O6 C2 C1 11.2(4) . . . . ?
C3 N1 C2 O6 2.0(6) . . . . ?
Cu1 N1 C2 O6 -175.6(4) . . . . ?
C3 N1 C2 C1 -178.0(3) . . . . ?
Cu1 N1 C2 C1 4.5(4) . . . . ?
O5 C1 C2 O6 -3.6(5) . . . . ?
N4 C1 C2 O6 175.9(3) . . . . ?
O5 C1 C2 N1 176.4(3) . . . . ?
N4 C1 C2 N1 -4.2(5) . . . . ?
C2 N1 C3 C4 11.5(6) . . . . ?
Cu1 N1 C3 C4 -171.5(3) . . . . ?
C2 N1 C3 C8 -170.1(4) . . . . ?
Cu1 N1 C3 C8 7.0(5) . . . . ?
N1 C3 C4 C5 -179.9(4) . . . . ?
C8 C3 C4 C5 1.6(6) . . . . ?
C3 C4 C5 C6 0.7(7) . . . . ?
C4 C5 C6 C7 -2.4(7) . . . . ?
C5 C6 C7 C8 1.8(7) . . . . ?
C6 C7 C8 C3 0.5(7) . . . . ?
C6 C7 C8 C9 -176.8(4) . . . . ?
C4 C3 C8 C7 -2.1(6) . . . . ?
N1 C3 C8 C7 179.4(4) . . . . ?
C4 C3 C8 C9 175.0(4) . . . . ?
N1 C3 C8 C9 -3.6(6) . . . . ?
C13 N2 C9 C8 -177.7(4) . . . . ?
Cu1 N2 C9 C8 -5.5(6) . . . . ?
C13 N2 C9 C10 -0.5(6) . . . . ?
Cu1 N2 C9 C10 171.7(3) . . . . ?
C7 C8 C9 N2 -179.9(4) . . . . ?
C3 C8 C9 N2 3.0(6) . . . . ?
C7 C8 C9 C10 2.7(5) . . . . ?
C3 C8 C9 C10 -174.4(4) . . . . ?
C11 O1 C10 O2 0.6(7) . . . . ?
C11 O1 C10 C9 -179.9(4) . . . . ?
N2 C9 C10 O2 98.4(5) . . . . ?
C8 C9 C10 O2 -84.0(5) . . . . ?
N2 C9 C10 O1 -81.1(4) . . . . ?
C8 C9 C10 O1 96.4(4) . . . . ?
C10 O1 C11 C12 -124.4(5) . . . . ?
C9 N2 C13 C14 -150.4(4) . . . . ?
Cu1 N2 C13 C14 36.2(4) . . . . ?
C15 N3 C14 C13 -158.8(4) . . . . ?
Cu1 N3 C14 C13 29.4(4) . . . . ?
N2 C13 C14 N3 -42.3(5) . . . . ?
C14 N3 C15 C19 -179.3(4) . . . . ?
Cu1 N3 C15 C19 -9.1(6) . . . . ?
C14 N3 C15 C16 -0.2(6) . . . . ?
Cu1 N3 C15 C16 170.1(3) . . . . ?
C17 O4 C16 O3 -7.9(7) . . . . ?
C17 O4 C16 C15 170.6(4) . . . . ?
N3 C15 C16 O3 101.2(5) . . . . ?
C19 C15 C16 O3 -79.6(5) . . . . ?
N3 C15 C16 O4 -77.4(5) . . . . ?
C19 C15 C16 O4 101.9(4) . . . . ?
C16 O4 C17 C18 169.4(4) . . . . ?
N3 C15 C19 C20 -165.0(4) . . . . ?
C16 C15 C19 C20 15.8(5) . . . . ?
N3 C15 C19 C24 15.0(6) . . . . ?
C16 C15 C19 C24 -164.2(4) . . . . ?
C24 C19 C20 C21 -0.6(7) . . . . ?
C15 C19 C20 C21 179.4(4) . . . . ?
C19 C20 C21 C22 0.2(7) . . . . ?
C20 C21 C22 C23 0.4(7) . . . . ?
C21 C22 C23 C24 -0.5(7) . . . . ?
C22 C23 C24 N4 -179.3(4) . . . . ?
C22 C23 C24 C19 0.1(6) . . . . ?
C1 N4 C24 C23 -16.0(6) . . . . ?
Cu1 N4 C24 C23 160.7(3) . . . . ?
C1 N4 C24 C19 164.6(4) . . . . ?
Cu1 N4 C24 C19 -18.6(5) . . . . ?
C20 C19 C24 C23 0.4(6) . . . . ?
C15 C19 C24 C23 -179.6(4) . . . . ?
C20 C19 C24 N4 179.8(4) . . . . ?
C15 C19 C24 N4 -0.2(6) . . . . ?
