#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:53:29 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179768 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/64/7006475.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_7006475
loop_
_publ_author_name
'Mochida, Tomoyuki'
'Okazawa, Kazuya'
'Horikoshi, Ryo'
_publ_section_title
;
 Metal complexes from 1,1'-di(pyrazinyl)ferrocene: coordination
 polymers and bridged diferrocenes.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              693
_journal_page_last               704
_journal_paper_doi               10.1039/b511286a
_journal_year                    2006
_chemical_formula_sum            'C66 H77 Cu6 Fe2 N11 O26'
_chemical_formula_weight         1933.39
_chemical_name_common            Pz2CuOAc
_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                96.2600(10)
_cell_angle_beta                 101.2480(10)
_cell_angle_gamma                106.5040(10)
_cell_formula_units_Z            1
_cell_length_a                   10.6142(6)
_cell_length_b                   11.3799(6)
_cell_length_c                   17.5157(9)
_cell_measurement_temperature    296(2)
_cell_volume                     1958.91(18)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      296(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0157
_diffrn_reflns_av_sigmaI/netI    0.0332
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            14752
_diffrn_reflns_theta_full        28.33
_diffrn_reflns_theta_max         28.33
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    2.038
_exptl_absorpt_correction_T_max  0.4961
_exptl_absorpt_correction_T_min  0.4961
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS;Sheldrick 1996'
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.639
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             984
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.678
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.081
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     512
_refine_ls_number_reflns         9645
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0365
_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)+(0.0660P)²+0.1106P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1078
_reflns_number_gt                7847
_reflns_number_total             9645
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b511286a.txt
_cod_data_source_block           3
_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 
;
_cod_original_cell_volume        1958.90(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006475
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
C1 C 0.6076(2) 0.7179(2) 0.28210(13) 0.0386(5) Uani 1 1 d . . .
C2 C 0.6659(3) 0.8147(3) 0.24183(15) 0.0479(6) Uani 1 1 d . . .
H2 H 0.6234 0.8341 0.1954 0.057 Uiso 1 1 calc R . .
C3 C 0.8019(3) 0.8762(3) 0.28627(17) 0.0559(7) Uani 1 1 d . . .
H3 H 0.8638 0.9425 0.2734 0.067 Uiso 1 1 calc R . .
C4 C 0.8263(3) 0.8196(3) 0.35276(18) 0.0543(7) Uani 1 1 d . . .
H4 H 0.9069 0.8423 0.3912 0.065 Uiso 1 1 calc R . .
C5 C 0.7078(2) 0.7225(2) 0.35134(15) 0.0449(6) Uani 1 1 d . . .
H5 H 0.6968 0.6706 0.3887 0.054 Uiso 1 1 calc R . .
C6 C 0.5005(2) 0.9205(2) 0.38409(14) 0.0385(5) Uani 1 1 d . . .
C7 C 0.5651(3) 1.0153(2) 0.34384(18) 0.0494(6) Uani 1 1 d . . .
H7 H 0.5254 1.0351 0.2968 0.059 Uiso 1 1 calc R . .
C8 C 0.6990(3) 1.0730(3) 0.3881(2) 0.0620(8) Uani 1 1 d . . .
H8 H 0.7631 1.1374 0.3751 0.074 Uiso 1 1 calc R . .
C9 C 0.7199(3) 1.0171(3) 0.45501(19) 0.0597(8) Uani 1 1 d . . .
H9 H 0.7998 1.0386 0.4940 0.072 Uiso 1 1 calc R . .
C10 C 0.5978(3) 0.9215(3) 0.45314(15) 0.0469(6) Uani 1 1 d . . .
H10 H 0.5842 0.8695 0.4902 0.056 Uiso 1 1 calc R . .
C11 C 0.4689(2) 0.6342(2) 0.26040(13) 0.0343(4) Uani 1 1 d . . .
C12 C 0.3013(3) 0.4917(2) 0.29495(14) 0.0434(5) Uani 1 1 d . . .
H12 H 0.2707 0.4413 0.3302 0.052 Uiso 1 1 calc R . .
C13 C 0.2114(3) 0.4892(2) 0.22592(15) 0.0437(5) Uani 1 1 d . . .
H13 H 0.1219 0.4392 0.2165 0.052 Uiso 1 1 calc R . .
C14 C 0.3794(2) 0.6292(2) 0.18922(13) 0.0375(5) Uani 1 1 d . . .
H14 H 0.4103 0.6770 0.1529 0.045 Uiso 1 1 calc R . .
C15 C 0.3592(2) 0.8414(2) 0.35864(13) 0.0332(4) Uani 1 1 d . . .
C16 C 0.1565(3) 0.7809(3) 0.26787(15) 0.0481(6) Uani 1 1 d . . .
H16 H 0.1037 0.7864 0.2202 0.058 Uiso 1 1 calc R . .
C17 C 0.0984(2) 0.7020(2) 0.31402(14) 0.0416(5) Uani 1 1 d . . .
H17 H 0.0074 0.6555 0.2969 0.050 Uiso 1 1 calc R . .
C18 C 0.2983(2) 0.7609(2) 0.40516(13) 0.0359(5) Uani 1 1 d . . .
H18 H 0.3499 0.7561 0.4535 0.043 Uiso 1 1 calc R . .
C19 C 0.0639(2) 0.3135(2) 0.44756(16) 0.0449(5) Uani 1 1 d . . .
C20 C 0.0945(4) 0.1991(3) 0.4157(2) 0.0702(9) Uani 1 1 d . . .
H20A H 0.1657 0.1864 0.4537 0.105 Uiso 1 1 calc R . .
H20B H 0.1226 0.2099 0.3674 0.105 Uiso 1 1 calc R . .
H20C H 0.0149 0.1281 0.4058 0.105 Uiso 1 1 calc R . .
C21 C -0.2138(2) 0.4247(2) 0.39054(15) 0.0411(5) Uani 1 1 d . . .
C22 C -0.3397(3) 0.3755(3) 0.32573(17) 0.0544(7) Uani 1 1 d . . .
H22A H -0.4123 0.3281 0.3460 0.082 Uiso 1 1 calc R . .
H22B H -0.3248 0.3230 0.2839 0.082 Uiso 1 1 calc R . .
H22C H -0.3630 0.4437 0.3057 0.082 Uiso 1 1 calc R . .
C23 C 0.1743(3) 0.5239(3) -0.08217(17) 0.0494(6) Uani 1 1 d . . .
C24 C 0.2747(4) 0.5342(4) -0.1323(2) 0.0772(10) Uani 1 1 d . . .
H24A H 0.2284 0.5179 -0.1870 0.116 Uiso 1 1 calc R . .
H24B H 0.3218 0.4747 -0.1227 0.116 Uiso 1 1 calc R . .
H24C H 0.3384 0.6166 -0.1192 0.116 Uiso 1 1 calc R . .
C25 C 0.0094(2) 0.7271(2) 0.00627(14) 0.0397(5) Uani 1 1 d . . .
C26 C 0.0073(3) 0.8593(2) 0.01169(18) 0.0555(7) Uani 1 1 d . . .
H26A H 0.0734 0.9050 -0.0136 0.083 Uiso 1 1 calc R . .
H26B H 0.0282 0.8972 0.0663 0.083 Uiso 1 1 calc R . .
H26C H -0.0808 0.8601 -0.0141 0.083 Uiso 1 1 calc R . .
C27 C 0.5801(3) 0.8117(3) 0.00835(18) 0.0531(6) Uani 1 1 d . . .
C28 C 0.6290(4) 0.7003(3) 0.0153(3) 0.0849(11) Uani 1 1 d . . .
H28A H 0.7063 0.7213 0.0591 0.127 Uiso 1 1 calc R . .
H28B H 0.6536 0.6762 -0.0325 0.127 Uiso 1 1 calc R . .
H28C H 0.5582 0.6325 0.0238 0.127 Uiso 1 1 calc R . .
C29 C 0.7010(3) 1.1216(2) 0.11242(16) 0.0489(6) Uani 1 1 d . . .
C30 C 0.8258(3) 1.1871(3) 0.1757(2) 0.0668(8) Uani 1 1 d . . .
H30A H 0.8015 1.2038 0.2248 0.100 Uiso 1 1 calc R . .
H30B H 0.8727 1.2642 0.1618 0.100 Uiso 1 1 calc R . .
H30C H 0.8835 1.1356 0.1811 0.100 Uiso 1 1 calc R . .
C31 C 0.3061(6) 0.1909(5) 0.2078(4) 0.149(3) Uani 1 1 d . . .
H31A H 0.3499 0.1447 0.1789 0.223 Uiso 1 1 calc R . .
H31B H 0.3623 0.2258 0.2599 0.223 Uiso 1 1 calc R . .
H31C H 0.2916 0.2567 0.1808 0.223 Uiso 1 1 calc R . .
C32 C 0.1841(6) 0.1132(5) 0.2131(3) 0.0970(14) Uani 1 1 d . . .
C33 C 0.5754(9) 0.6954(10) 0.5629(7) 0.101(3) Uani 0.50 1 d P . .
C34 C 0.5284(6) 0.5684(7) 0.5184(4) 0.170(5) Uani 0.50 1 d P . .
Cu1 Cu 0.06386(3) 0.56343(3) 0.453122(16) 0.03699(8) Uani 1 1 d . . .
Cu2 Cu 0.09830(3) 0.53129(2) 0.063610(16) 0.03625(8) Uani 1 1 d . . .
Cu3 Cu 0.43272(3) 0.96983(3) 0.053059(18) 0.04277(9) Uani 1 1 d . . .
Fe1 Fe 0.66684(3) 0.88747(3) 0.35397(2) 0.03615(9) Uani 1 1 d . . .
N1 N 0.4291(2) 0.56250(19) 0.31327(11) 0.0403(4) Uani 1 1 d . . .
N2 N 0.2505(2) 0.55727(18) 0.17224(11) 0.0391(4) Uani 1 1 d . . .
N3 N 0.2868(2) 0.8502(2) 0.28919(12) 0.0425(4) Uani 1 1 d . . .
N4 N 0.16892(19) 0.69052(18) 0.38265(11) 0.0366(4) Uani 1 1 d . . .
N5 N 0.0786(6) 0.0459(6) 0.2141(4) 0.163(2) Uani 1 1 d . . .
N6 N 0.5284(6) 0.5684(7) 0.5184(4) 0.170(5) Uani 0.50 1 d P . .
O1 O 0.1054(2) 0.41036(19) 0.41976(13) 0.0597(5) Uani 1 1 d . . .
O2 O -0.00254(19) 0.30402(17) 0.49930(11) 0.0496(4) Uani 1 1 d . . .
O3 O -0.11104(19) 0.49520(19) 0.37507(11) 0.0527(5) Uani 1 1 d . . .
O4 O -0.21934(18) 0.39149(19) 0.45595(11) 0.0530(5) Uani 1 1 d . . .
O5 O 0.21887(19) 0.54605(19) -0.00851(12) 0.0534(4) Uani 1 1 d . . .
O6 O 0.0511(2) 0.49334(19) -0.11722(11) 0.0531(4) Uani 1 1 d . . .
O7 O 0.09316(18) 0.70244(14) 0.05959(10) 0.0446(4) Uani 1 1 d . . .
O8 O -0.07235(19) 0.64910(15) -0.05029(11) 0.0502(4) Uani 1 1 d . . .
O9 O 0.5060(2) 0.83025(18) 0.05249(12) 0.0536(5) Uani 1 1 d . . .
O10 O 0.6186(3) 0.8795(2) -0.04048(14) 0.0694(6) Uani 1 1 d . . .
O11 O 0.5950(2) 1.0705(2) 0.13305(12) 0.0619(5) Uani 1 1 d . . .
O12 O 0.7099(2) 1.1209(2) 0.04165(12) 0.0579(5) Uani 1 1 d . . .
O13 O 0.31141(18) 0.90398(18) 0.13462(10) 0.0490(4) 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'
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'
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
_geom_angle_publ_flag
N6 N6 C34 0.0(5) 2_666 2_666 ?
C2 C1 C5 107.7(2) . . ?
C2 C1 C11 126.8(2) . . ?
C5 C1 C11 125.4(2) . . ?
C2 C1 Fe1 69.51(15) . . ?
C5 C1 Fe1 69.39(14) . . ?
C11 C1 Fe1 123.55(16) . . ?
C1 C2 C3 107.2(2) . . ?
C1 C2 Fe1 69.51(13) . . ?
C3 C2 Fe1 69.88(15) . . ?
C4 C3 C2 108.5(2) . . ?
C4 C3 Fe1 69.97(15) . . ?
C2 C3 Fe1 69.22(15) . . ?
C3 C4 C5 108.6(2) . . ?
C3 C4 Fe1 69.95(16) . . ?
C5 C4 Fe1 69.42(14) . . ?
C4 C5 C1 107.9(2) . . ?
C4 C5 Fe1 70.23(15) . . ?
C1 C5 Fe1 69.51(14) . . ?
C10 C6 C7 107.4(2) . . ?
C10 C6 C15 127.4(2) . . ?
C7 C6 C15 125.2(2) . . ?
C10 C6 Fe1 69.52(14) . . ?
C7 C6 Fe1 69.08(14) . . ?
C15 C6 Fe1 127.98(16) . . ?
C8 C7 C6 108.0(3) . . ?
C8 C7 Fe1 69.64(16) . . ?
C6 C7 Fe1 69.93(14) . . ?
C9 C8 C7 108.7(3) . . ?
C9 C8 Fe1 70.19(17) . . ?
C7 C8 Fe1 70.08(15) . . ?
C8 C9 C10 108.4(3) . . ?
C8 C9 Fe1 69.65(17) . . ?
C10 C9 Fe1 69.82(15) . . ?
C6 C10 C9 107.5(2) . . ?
C6 C10 Fe1 69.89(14) . . ?
C9 C10 Fe1 69.43(16) . . ?
N1 C11 C14 120.9(2) . . ?
N1 C11 C1 116.86(19) . . ?
C14 C11 C1 122.2(2) . . ?
N1 C12 C13 122.9(2) . . ?
N2 C13 C12 121.2(2) . . ?
N2 C14 C11 121.5(2) . . ?
N3 C15 C18 119.9(2) . . ?
N3 C15 C6 117.8(2) . . ?
C18 C15 C6 122.3(2) . . ?
N3 C16 C17 122.1(2) . . ?
N4 C17 C16 121.5(2) . . ?
N4 C18 C15 122.3(2) . . ?
O2 C19 O1 124.9(2) . . ?
O2 C19 C20 117.2(2) . . ?
O1 C19 C20 117.9(2) . . ?
O4 C21 O3 125.2(2) . . ?
O4 C21 C22 117.2(2) . . ?
O3 C21 C22 117.6(2) . . ?
O5 C23 O6 125.0(3) . . ?
O5 C23 C24 117.6(3) . . ?
O6 C23 C24 117.4(3) . . ?
O8 C25 O7 124.6(2) . . ?
O8 C25 C26 117.4(2) . . ?
O7 C25 C26 118.0(2) . . ?
O9 C27 O10 125.3(3) . . ?
O9 C27 C28 116.9(3) . . ?
O10 C27 C28 117.8(3) . . ?
O11 C29 O12 124.5(3) . . ?
O11 C29 C30 118.0(3) . . ?
O12 C29 C30 117.6(3) . . ?
N5 C32 C31 177.1(7) . . ?
O4 Cu1 O3 168.20(7) 2_566 . ?
O4 Cu1 O1 89.38(9) 2_566 . ?
O3 Cu1 O1 88.40(9) . . ?
O4 Cu1 O2 89.41(9) 2_566 2_566 ?
O3 Cu1 O2 90.39(9) . 2_566 ?
O1 Cu1 O2 168.14(7) . 2_566 ?
O4 Cu1 N4 94.72(7) 2_566 . ?
O3 Cu1 N4 97.08(7) . . ?
O1 Cu1 N4 101.21(7) . . ?
O2 Cu1 N4 90.65(7) 2_566 . ?
O4 Cu1 Cu1 83.71(5) 2_566 2_566 ?
O3 Cu1 Cu1 84.57(5) . 2_566 ?
O1 Cu1 Cu1 85.65(6) . 2_566 ?
O2 Cu1 Cu1 82.48(5) 2_566 2_566 ?
N4 Cu1 Cu1 172.96(5) . 2_566 ?
O5 Cu2 O6 168.84(8) . 2_565 ?
O5 Cu2 O7 91.27(8) . . ?
O6 Cu2 O7 88.01(8) 2_565 . ?
O5 Cu2 O8 88.98(9) . 2_565 ?
O6 Cu2 O8 89.60(9) 2_565 2_565 ?
O7 Cu2 O8 168.87(7) . 2_565 ?
O5 Cu2 N2 97.33(8) . . ?
O6 Cu2 N2 93.71(8) 2_565 . ?
O7 Cu2 N2 102.05(7) . . ?
O8 Cu2 N2 88.95(7) 2_565 . ?
O5 Cu2 Cu2 85.87(6) . 2_565 ?
O6 Cu2 Cu2 82.98(6) 2_565 2_565 ?
O7 Cu2 Cu2 85.07(5) . 2_565 ?
O8 Cu2 Cu2 83.85(5) 2_565 2_565 ?
N2 Cu2 Cu2 172.08(5) . 2_565 ?
O9 Cu3 O11 89.02(9) . . ?
O9 Cu3 O10 169.30(8) . 2_675 ?
O11 Cu3 O10 89.36(10) . 2_675 ?
O9 Cu3 O12 90.25(9) . 2_675 ?
O11 Cu3 O12 169.18(8) . 2_675 ?
O10 Cu3 O12 89.37(10) 2_675 2_675 ?
O9 Cu3 O13 92.90(8) . . ?
O11 Cu3 O13 96.55(8) . . ?
O10 Cu3 O13 97.80(8) 2_675 . ?
O12 Cu3 O13 94.27(7) 2_675 . ?
O9 Cu3 Cu3 84.40(6) . 2_675 ?
O11 Cu3 Cu3 87.69(6) . 2_675 ?
O10 Cu3 Cu3 84.96(6) 2_675 2_675 ?
O12 Cu3 Cu3 81.49(6) 2_675 2_675 ?
O13 Cu3 Cu3 174.94(5) . 2_675 ?
C8 Fe1 C5 156.99(11) . . ?
C8 Fe1 C1 159.37(12) . . ?
C5 Fe1 C1 41.10(9) . . ?
C8 Fe1 C2 121.82(13) . . ?
C5 Fe1 C2 68.96(11) . . ?
C1 Fe1 C2 40.99(10) . . ?
C8 Fe1 C7 40.28(11) . . ?
C5 Fe1 C7 161.92(10) . . ?
C1 Fe1 C7 124.39(10) . . ?
C2 Fe1 C7 106.87(12) . . ?
C8 Fe1 C9 40.16(13) . . ?
C5 Fe1 C9 122.75(12) . . ?
C1 Fe1 C9 159.71(12) . . ?
C2 Fe1 C9 157.65(12) . . ?
C7 Fe1 C9 67.82(12) . . ?
C8 Fe1 C3 105.83(13) . . ?
C5 Fe1 C3 68.01(12) . . ?
C1 Fe1 C3 68.45(11) . . ?
C2 Fe1 C3 40.90(11) . . ?
C7 Fe1 C3 121.11(12) . . ?
C9 Fe1 C3 121.70(12) . . ?
C8 Fe1 C4 120.81(12) . . ?
C5 Fe1 C4 40.35(11) . . ?
C1 Fe1 C4 68.38(10) . . ?
C2 Fe1 C4 68.43(11) . . ?
C7 Fe1 C4 156.11(11) . . ?
C9 Fe1 C4 107.12(12) . . ?
C3 Fe1 C4 40.08(12) . . ?
C8 Fe1 C10 68.27(13) . . ?
C5 Fe1 C10 108.95(11) . . ?
C1 Fe1 C10 124.13(10) . . ?
C2 Fe1 C10 159.66(10) . . ?
C7 Fe1 C10 68.48(12) . . ?
C9 Fe1 C10 40.75(11) . . ?
C3 Fe1 C10 158.67(11) . . ?
C4 Fe1 C10 123.93(12) . . ?
C8 Fe1 C6 68.31(10) . . ?
C5 Fe1 C6 125.45(10) . . ?
C1 Fe1 C6 109.25(9) . . ?
C2 Fe1 C6 123.03(10) . . ?
C7 Fe1 C6 40.99(10) . . ?
C9 Fe1 C6 68.18(10) . . ?
C3 Fe1 C6 158.24(11) . . ?
C4 Fe1 C6 160.99(11) . . ?
C10 Fe1 C6 40.58(10) . . ?
C12 N1 C11 116.4(2) . . ?
C14 N2 C13 117.0(2) . . ?
C14 N2 Cu2 127.02(16) . . ?
C13 N2 Cu2 115.90(16) . . ?
C15 N3 C16 117.3(2) . . ?
C17 N4 C18 116.86(19) . . ?
C17 N4 Cu1 118.39(15) . . ?
C18 N4 Cu1 124.71(15) . . ?
C19 O1 Cu1 121.54(17) . . ?
C19 O2 Cu1 125.36(17) . 2_566 ?
C21 O3 Cu1 122.43(16) . . ?
C21 O4 Cu1 123.98(16) . 2_566 ?
C23 O5 Cu2 121.74(18) . . ?
C23 O6 Cu2 124.41(18) . 2_565 ?
C25 O7 Cu2 122.19(15) . . ?
C25 O8 Cu2 124.10(15) . 2_565 ?
C27 O9 Cu3 123.31(17) . . ?
C27 O10 Cu3 122.00(19) . 2_675 ?
C29 O11 Cu3 119.81(18) . . ?
C29 O12 Cu3 126.35(18) . 2_675 ?
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
N6 N6 1.516(17) 2_666 ?
N6 C34 1.516(17) 2_666 ?
C1 C2 1.431(3) . ?
C1 C5 1.434(3) . ?
C1 C11 1.457(3) . ?
C1 Fe1 2.044(2) . ?
C2 C3 1.431(4) . ?
C2 Fe1 2.044(3) . ?
C3 C4 1.407(4) . ?
C3 Fe1 2.053(3) . ?
C4 C5 1.413(4) . ?
C4 Fe1 2.053(3) . ?
C5 Fe1 2.042(3) . ?
C6 C10 1.426(4) . ?
C6 C7 1.437(3) . ?
C6 C15 1.464(3) . ?
C6 Fe1 2.058(2) . ?
C7 C8 1.407(4) . ?
C7 Fe1 2.047(3) . ?
C8 C9 1.404(5) . ?
C8 Fe1 2.041(3) . ?
C9 C10 1.428(4) . ?
C9 Fe1 2.048(3) . ?
C10 Fe1 2.053(3) . ?
C11 N1 1.350(3) . ?
C11 C14 1.397(3) . ?
C12 N1 1.320(3) . ?
C12 C13 1.378(3) . ?
C13 N2 1.336(3) . ?
C14 N2 1.335(3) . ?
C15 N3 1.337(3) . ?
C15 C18 1.397(3) . ?
C16 N3 1.337(3) . ?
C16 C17 1.371(3) . ?
C17 N4 1.327(3) . ?
C18 N4 1.334(3) . ?
C19 O2 1.248(3) . ?
C19 O1 1.254(3) . ?
C19 C20 1.505(4) . ?
C21 O4 1.252(3) . ?
C21 O3 1.254(3) . ?
C21 C22 1.494(3) . ?
C23 O5 1.255(3) . ?
C23 O6 1.260(3) . ?
C23 C24 1.496(4) . ?
C25 O8 1.248(3) . ?
C25 O7 1.272(3) . ?
C25 C26 1.503(3) . ?
C27 O9 1.247(3) . ?
C27 O10 1.263(3) . ?
C27 C28 1.508(4) . ?
C29 O11 1.252(3) . ?
C29 O12 1.261(3) . ?
C29 C30 1.491(4) . ?
C31 C32 1.372(7) . ?
C32 N5 1.168(7) . ?
Cu1 O4 1.9592(18) 2_566 ?
Cu1 O3 1.9692(18) . ?
Cu1 O1 1.971(2) . ?
Cu1 O2 1.9720(18) 2_566 ?
Cu1 N4 2.2065(18) . ?
Cu1 Cu1 2.6254(5) 2_566 ?
Cu2 O5 1.954(2) . ?
Cu2 O6 1.9650(19) 2_565 ?
Cu2 O7 1.9724(16) . ?
Cu2 O8 1.9732(16) 2_565 ?
Cu2 N2 2.1736(18) . ?
Cu2 Cu2 2.6121(5) 2_565 ?
Cu3 O9 1.9570(19) . ?
Cu3 O11 1.957(2) . ?
Cu3 O10 1.962(2) 2_675 ?
Cu3 O12 1.967(2) 2_675 ?
Cu3 O13 2.1593(16) . ?
Cu3 Cu3 2.5929(6) 2_675 ?
O2 Cu1 1.9720(18) 2_566 ?
O4 Cu1 1.9592(18) 2_566 ?
O6 Cu2 1.9650(19) 2_565 ?
O8 Cu2 1.9732(16) 2_565 ?
O10 Cu3 1.962(2) 2_675 ?
O12 Cu3 1.967(2) 2_675 ?
