#------------------------------------------------------------------------------
#$Date: 2016-03-23 21:07:05 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179440 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/37/4333722.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_4333722
loop_
_publ_author_name
'Diana Visinescu'
'Luminita Marilena Toma'
'Oscar Fabelo'
'Catalina Ruiz-Pérez'
'Francesc Lloret'
'Miguel Julve'
_publ_contact_author_address
;
 Laboratorio de Rayos X y Materiales Moleculares
 Dpto. Física Fundamental II. Facultad de Física
 Universidad de La Laguna
 E-38204. La Laguna. Tenerife
 Spain
;
_publ_contact_author_name        'Professor Catalina Ruiz-Pérez'
_publ_section_title
;
 Low-Dimensional 3d-4f Complexes Assembled by Low-Spin [FeIII(phen)(CN)4]-
 Anions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1525
_journal_page_last               1537
_journal_paper_doi               10.1021/ic302278q
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C76 H50 Fe4 Gd2 N32 O12'
_chemical_formula_weight         2141.38
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.689(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.5649(8)
_cell_length_b                   15.708(3)
_cell_length_c                   34.689(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4108.3(11)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    CRYSTALMAKER
_computing_publication_material  'PARST97 (Nardelli, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.913
_diffrn_measured_fraction_theta_max 0.913
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_sigmaI/netI    0.0971
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            21016
_diffrn_reflns_theta_full        27.75
_diffrn_reflns_theta_max         27.75
_diffrn_reflns_theta_min         6.43
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    2.360
_exptl_absorpt_correction_T_max  0.8911
_exptl_absorpt_correction_T_min  0.8713
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_description       prism
_exptl_crystal_F_000             2116
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.611
_refine_diff_density_min         -1.067
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     569
_refine_ls_number_reflns         8824
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.1332
_refine_ls_R_factor_gt           0.0783
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0368P)²+30.7988P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1550
_reflns_number_gt                5747
_reflns_number_total             8824
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic302278q_si_002_1.cif
_cod_data_source_block           Compound_1
_cod_original_cell_volume        4108.3(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4333722
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Gd1 Gd 0.38916(5) 0.71071(3) 0.013626(12) 0.02846(13) Uani 1 1 d .
Fe1 Fe -0.16351(15) 0.72184(8) -0.09943(3) 0.0322(3) Uani 1 1 d .
Fe2 Fe 0.68056(17) 0.80914(8) 0.15343(4) 0.0375(3) Uani 1 1 d .
O1W O 0.1747(10) 0.6183(5) 0.0383(3) 0.077(3) Uani 1 1 d .
O2W O 0.1765(11) 0.8050(6) 0.0389(3) 0.085(3) Uani 1 1 d .
O3W O 0.702(4) 0.9748(13) -0.0141(6) 0.257(12) Uani 1 1 d .
N1 N 0.1237(10) 0.7267(5) -0.0329(2) 0.0398(19) Uani 1 1 d .
N2 N -0.1974(14) 0.5343(6) -0.0790(3) 0.076(3) Uani 1 1 d .
N3 N -0.4723(11) 0.7449(5) -0.0484(2) 0.0431(19) Uani 1 1 d .
N4 N 0.1488(12) 0.6814(6) -0.1476(3) 0.055(2) Uani 1 1 d .
N5 N 0.4659(11) 0.7400(5) 0.0825(2) 0.046(2) Uani 1 1 d .
N6 N 0.7464(16) 0.6276(8) 0.1809(4) 0.088(4) Uani 1 1 d .
N7 N 0.9946(14) 0.7900(8) 0.1045(4) 0.087(3) Uani 1 1 d .
N8 N 0.3386(14) 0.8219(7) 0.1945(3) 0.067(3) Uani 1 1 d .
N9 N -0.1523(10) 0.8454(5) -0.1109(2) 0.0409(19) Uani 1 1 d .
N10 N -0.3191(9) 0.7229(6) -0.1489(2) 0.043(2) Uani 1 1 d .
N11 N 0.8218(10) 0.8574(5) 0.1992(2) 0.0414(19) Uani 1 1 d .
N12 N 0.6627(10) 0.9322(5) 0.1377(2) 0.0387(18) Uani 1 1 d .
N13 N 0.5450(10) 0.5690(5) 0.0404(2) 0.0400(19) Uani 1 1 d .
N14 N 0.6059(9) 0.4231(4) 0.0321(2) 0.0319(16) Uani 1 1 d .
N16 N 0.348(2) 0.5341(12) 0.2009(5) 0.133(6) Uani 1 1 d .
C1 C 0.0105(11) 0.7266(6) -0.0561(2) 0.033(2) Uani 1 1 d .
C2 C -0.1853(13) 0.6024(7) -0.0877(3) 0.047(2) Uani 1 1 d .
C3 C -0.3606(12) 0.7386(6) -0.0682(3) 0.036(2) Uani 1 1 d .
C4 C 0.0319(12) 0.6962(6) -0.1304(3) 0.038(2) Uani 1 1 d .
C5 C 0.5403(12) 0.7670(5) 0.1101(3) 0.036(2) Uani 1 1 d .
C6 C 0.7151(15) 0.6941(8) 0.1701(3) 0.056(3) Uani 1 1 d .
C7 C 0.8847(14) 0.7987(7) 0.1243(3) 0.049(2) Uani 1 1 d .
C8 C 0.4667(15) 0.8178(7) 0.1793(3) 0.048(3) Uani 1 1 d .
C9 C -0.0783(12) 0.9069(6) -0.0886(3) 0.041(2) Uani 1 1 d .
H9 H -0.0221 0.8929 -0.0646 0.049 Uiso 1 1 calc R
C10 C -0.0832(14) 0.9908(7) -0.1004(3) 0.053(3) Uani 1 1 d .
H10 H -0.0339 1.0329 -0.0840 0.064 Uiso 1 1 calc R
C11 C -0.1606(15) 1.0122(8) -0.1361(4) 0.064(3) Uani 1 1 d .
H11 H -0.1590 1.0684 -0.1444 0.077 Uiso 1 1 calc R
C12 C -0.2413(13) 0.9501(7) -0.1598(3) 0.049(3) Uani 1 1 d .
C13 C -0.2364(11) 0.8659(6) -0.1457(3) 0.038(2) Uani 1 1 d .
C14 C -0.3206(11) 0.8013(7) -0.1659(3) 0.040(2) Uani 1 1 d .
C15 C -0.4093(13) 0.8148(9) -0.2027(3) 0.059(3) Uani 1 1 d .
C16 C -0.4907(15) 0.7462(12) -0.2212(4) 0.073(4) Uani 1 1 d .
H16 H -0.5467 0.7531 -0.2458 0.088 Uiso 1 1 calc R
C17 C -0.4911(15) 0.6692(11) -0.2041(4) 0.072(4) Uani 1 1 d .
H17 H -0.5505 0.6237 -0.2165 0.086 Uiso 1 1 calc R
C18 C -0.3993(14) 0.6582(8) -0.1669(3) 0.058(3) Uani 1 1 d .
H18 H -0.3961 0.6048 -0.1553 0.070 Uiso 1 1 calc R
C19 C -0.4057(15) 0.8999(10) -0.2175(3) 0.063(3) Uani 1 1 d .
H19 H -0.4592 0.9114 -0.2421 0.076 Uiso 1 1 calc R
C20 C -0.3283(16) 0.9624(10) -0.1971(4) 0.070(4) Uani 1 1 d .
H20 H -0.3309 1.0168 -0.2077 0.083 Uiso 1 1 calc R
C21 C 0.9020(14) 0.8190(8) 0.2294(3) 0.054(3) Uani 1 1 d .
H21 H 0.8972 0.7599 0.2305 0.064 Uiso 1 1 calc R
C22 C 0.9923(16) 0.8616(9) 0.2593(3) 0.064(3) Uani 1 1 d .
H22 H 1.0476 0.8312 0.2799 0.077 Uiso 1 1 calc R
C23 C 1.0019(15) 0.9485(11) 0.2590(3) 0.070(4) Uani 1 1 d .
H23 H 1.0630 0.9777 0.2793 0.084 Uiso 1 1 calc R
C24 C 0.9161(13) 0.9933(7) 0.2270(3) 0.049(3) Uani 1 1 d .
C25 C 0.8295(12) 0.9436(6) 0.1981(3) 0.038(2) Uani 1 1 d .
C26 C 0.7457(12) 0.9836(6) 0.1652(3) 0.038(2) Uani 1 1 d .
C27 C 0.7512(13) 1.0724(6) 0.1609(3) 0.048(3) Uani 1 1 d .
C28 C 0.6704(14) 1.1056(7) 0.1264(4) 0.056(3) Uani 1 1 d .
H28 H 0.6715 1.1640 0.1222 0.067 Uiso 1 1 calc R
C29 C 0.5905(14) 1.0534(7) 0.0992(3) 0.054(3) Uani 1 1 d .
H29 H 0.5366 1.0762 0.0764 0.065 Uiso 1 1 calc R
C30 C 0.5892(13) 0.9650(7) 0.1054(3) 0.047(3) Uani 1 1 d .
H30 H 0.5358 0.9294 0.0864 0.057 Uiso 1 1 calc R
C31 C 0.8415(14) 1.1197(7) 0.1917(4) 0.056(3) Uani 1 1 d .
H31 H 0.8481 1.1787 0.1896 0.067 Uiso 1 1 calc R
C32 C 0.9146(15) 1.0827(8) 0.2225(4) 0.060(3) Uani 1 1 d .
H32 H 0.9679 1.1162 0.2422 0.072 Uiso 1 1 calc R
C33 C 0.6232(16) 0.5641(7) 0.0768(3) 0.062(3) Uani 1 1 d .
H33 H 0.6313 0.6129 0.0919 0.075 Uiso 1 1 calc R
C34 C 0.6905(14) 0.4897(6) 0.0919(3) 0.051(3) Uani 1 1 d .
H34 H 0.7444 0.4868 0.1169 0.061 Uiso 1 1 calc R
C35 C 0.6751(12) 0.4197(6) 0.0686(3) 0.041(2) Uani 1 1 d .
H35 H 0.7145 0.3675 0.0786 0.049 Uiso 1 1 calc R
C36 C 0.5407(11) 0.4981(5) 0.0199(2) 0.0288(19) Uani 1 1 d .
C37 C 0.188(2) 0.6257(11) 0.1519(6) 0.111(6) Uani 1 1 d .
H37A H 0.0844 0.6483 0.1625 0.133 Uiso 1 1 calc R
H37B H 0.1533 0.5944 0.1287 0.133 Uiso 1 1 calc R
H37C H 0.2651 0.6716 0.1460 0.133 Uiso 1 1 calc R
C38 C 0.275(2) 0.5727(12) 0.1783(5) 0.086(5) Uani 1 1 d .
O1A O 0.501(2) 0.8503(7) 0.0145(4) 0.170(8) Uani 1 1 d D
N15A N 0.683(2) 0.8197(11) 0.0172(5) 0.35(3) Uani 1 1 d D
O2A O 0.7172(9) 0.7332(5) 0.0246(2) 0.0513(19) Uani 1 1 d D
O3A O 0.8435(13) 0.8629(8) 0.0134(4) 0.146(5) Uani 1 1 d 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'
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'
Gd Gd -0.1653 3.9035 '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'
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
O1A Gd1 O1W 144.8(4) . .
O1A Gd1 O2W 70.9(5) . .
O1W Gd1 O2W 75.4(3) . .
O1A Gd1 N5 75.9(4) . .
O1W Gd1 N5 83.0(3) . .
O2W Gd1 N5 69.0(3) . .
O1A Gd1 N1 100.7(5) . .
O1W Gd1 N1 76.0(3) . .
O2W Gd1 N1 69.2(3) . .
N5 Gd1 N1 136.7(3) . .
O1A Gd1 O2A 60.9(5) . .
O1W Gd1 O2A 136.5(3) . .
O2W Gd1 O2A 122.8(3) . .
N5 Gd1 O2A 71.0(3) . .
N1 Gd1 O2A 145.3(2) . .
O1A Gd1 N3 68.8(3) . 1_655
O1W Gd1 N3 140.9(3) . 1_655
O2W Gd1 N3 121.1(3) . 1_655
N5 Gd1 N3 135.0(3) . 1_655
N1 Gd1 N3 78.1(3) . 1_655
O2A Gd1 N3 67.9(2) . 1_655
O1A Gd1 N14 136.8(3) . 3_665
O1W Gd1 N14 77.0(3) . 3_665
O2W Gd1 N14 138.9(3) . 3_665
N5 Gd1 N14 136.1(2) . 3_665
N1 Gd1 N14 74.9(2) . 3_665
O2A Gd1 N14 98.1(2) . 3_665
N3 Gd1 N14 68.3(2) 1_655 3_665
O1A Gd1 N13 129.0(5) . .
O1W Gd1 N13 70.1(3) . .
O2W Gd1 N13 132.9(3) . .
N5 Gd1 N13 75.7(3) . .
N1 Gd1 N13 128.7(2) . .
O2A Gd1 N13 70.0(2) . .
N3 Gd1 N13 105.9(3) 1_655 .
N14 Gd1 N13 60.9(2) 3_665 .
O1A Gd1 N15A 31.2(4) . .
O1W Gd1 N15A 156.4(4) . .
O2W Gd1 N15A 99.2(5) . .
N5 Gd1 N15A 73.7(4) . .
N1 Gd1 N15A 124.3(4) . .
O2A Gd1 N15A 30.0(4) . .
N3 Gd1 N15A 61.6(4) 1_655 .
N14 Gd1 N15A 117.7(4) 3_665 .
N13 Gd1 N15A 99.8(5) . .
C1 Fe1 C2 86.4(4) . .
C1 Fe1 C3 93.8(4) . .
C2 Fe1 C3 86.0(4) . .
C1 Fe1 C4 86.3(4) . .
C2 Fe1 C4 89.8(4) . .
C3 Fe1 C4 175.8(4) . .
C1 Fe1 N9 94.7(4) . .
C2 Fe1 N9 177.4(4) . .
C3 Fe1 N9 91.6(3) . .
C4 Fe1 N9 92.6(3) . .
C1 Fe1 N10 172.2(3) . .
C2 Fe1 N10 97.8(4) . .
C3 Fe1 N10 93.1(3) . .
C4 Fe1 N10 87.1(3) . .
N9 Fe1 N10 81.4(3) . .
C5 Fe2 C6 87.9(4) . .
C5 Fe2 C8 87.5(4) . .
C6 Fe2 C8 91.5(4) . .
C5 Fe2 C7 88.5(4) . .
C6 Fe2 C7 89.0(5) . .
C8 Fe2 C7 176.0(4) . .
C5 Fe2 N11 177.8(3) . .
C6 Fe2 N11 93.8(4) . .
C8 Fe2 N11 91.0(4) . .
C7 Fe2 N11 92.9(4) . .
C5 Fe2 N12 95.8(3) . .
C6 Fe2 N12 175.6(4) . .
C8 Fe2 N12 91.0(4) . .
C7 Fe2 N12 88.8(4) . .
N11 Fe2 N12 82.5(3) . .
C1 N1 Gd1 172.4(7) . .
C3 N3 Gd1 151.1(7) . 1_455
C5 N5 Gd1 159.8(8) . .
C9 N9 C13 119.3(9) . .
C9 N9 Fe1 127.9(6) . .
C13 N9 Fe1 112.8(7) . .
C18 N10 C14 120.3(9) . .
C18 N10 Fe1 128.1(8) . .
C14 N10 Fe1 111.2(6) . .
C21 N11 C25 117.7(9) . .
C21 N11 Fe2 130.0(7) . .
C25 N11 Fe2 112.3(6) . .
C30 N12 C26 120.2(9) . .
C30 N12 Fe2 128.5(7) . .
C26 N12 Fe2 111.3(6) . .
C36 N13 C33 116.4(8) . .
C36 N13 Gd1 121.9(5) . .
C33 N13 Gd1 121.5(6) . .
C35 N14 C36 116.4(7) . .
C35 N14 Gd1 121.1(5) . 3_665
C36 N14 Gd1 122.5(5) . 3_665
N1 C1 Fe1 173.6(8) . .
N2 C2 Fe1 176.5(11) . .
N3 C3 Fe1 176.1(9) . .
N4 C4 Fe1 178.3(9) . .
N5 C5 Fe2 175.2(8) . .
N6 C6 Fe2 175.5(12) . .
N7 C7 Fe2 173.9(11) . .
N8 C8 Fe2 179.1(11) . .
N9 C9 C10 121.4(9) . .
C11 C10 C9 120.1(11) . .
C10 C11 C12 120.0(11) . .
C11 C12 C13 117.2(10) . .
C11 C12 C20 126.6(12) . .
C13 C12 C20 116.2(12) . .
N9 C13 C14 116.5(9) . .
N9 C13 C12 121.9(10) . .
C14 C13 C12 121.6(9) . .
C13 C14 N10 117.6(8) . .
C13 C14 C15 121.5(10) . .
N10 C14 C15 120.9(10) . .
C16 C15 C14 117.8(12) . .
C16 C15 C19 125.9(12) . .
C14 C15 C19 116.3(11) . .
C17 C16 C15 121.2(11) . .
C16 C17 C18 119.2(12) . .
N10 C18 C17 120.5(12) . .
C20 C19 C15 121.6(11) . .
C19 C20 C12 122.8(12) . .
N11 C21 C22 123.2(11) . .
C23 C22 C21 120.5(11) . .
C22 C23 C24 118.5(11) . .
C25 C24 C32 118.7(11) . .
C25 C24 C23 116.2(11) . .
C32 C24 C23 125.2(12) . .
N11 C25 C24 124.0(9) . .
N11 C25 C26 116.8(9) . .
C24 C25 C26 119.2(9) . .
N12 C26 C27 122.0(9) . .
N12 C26 C25 117.0(9) . .
C27 C26 C25 121.0(9) . .
C28 C27 C26 116.6(10) . .
C28 C27 C31 126.4(11) . .
C26 C27 C31 117.0(10) . .
C29 C28 C27 120.6(10) . .
C28 C29 C30 120.0(10) . .
N12 C30 C29 120.6(11) . .
C32 C31 C27 121.8(11) . .
C31 C32 C24 122.3(11) . .
N13 C33 C34 122.0(9) . .
C33 C34 C35 116.9(9) . .
N14 C35 C34 122.6(8) . .
N13 C36 N14 125.6(7) . .
N13 C36 C36 117.6(9) . 3_665
N14 C36 C36 116.8(9) . 3_665
N16 C38 C37 176(2) . .
N15A O1A Gd1 91.7(9) . .
O2A N15A O3A 109.5(15) . .
O2A N15A O1A 119.6(11) . .
O3A N15A O1A 130.9(15) . .
O2A N15A Gd1 63.3(6) . .
O3A N15A Gd1 168.3(12) . .
O1A N15A Gd1 57.1(6) . .
N15A O2A Gd1 86.6(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1A 2.350(10) .
Gd1 O1W 2.387(7) .
Gd1 O2W 2.405(7) .
Gd1 N5 2.457(8) .
Gd1 N1 2.484(7) .
Gd1 O2A 2.505(7) .
Gd1 N3 2.528(8) 1_655
Gd1 N14 2.636(7) 3_665
Gd1 N13 2.652(7) .
Gd1 N15A 2.798(16) .
Fe1 C1 1.916(9) .
Fe1 C2 1.930(11) .
Fe1 C3 1.932(10) .
Fe1 C4 1.939(10) .
Fe1 N9 1.985(8) .
Fe1 N10 2.000(7) .
Fe2 C5 1.889(10) .
Fe2 C6 1.909(13) .
Fe2 C8 1.918(11) .
Fe2 C7 1.921(11) .
Fe2 N11 1.991(8) .
Fe2 N12 2.010(8) .
N1 C1 1.127(10) .
N2 C2 1.118(12) .
N3 C3 1.135(11) .
N3 Gd1 2.528(8) 1_455
N4 C4 1.132(11) .
N5 C5 1.149(11) .
N6 C6 1.127(14) .
N7 C7 1.128(13) .
N8 C8 1.143(12) .
N9 C9 1.333(12) .
N9 C13 1.355(11) .
N10 C18 1.316(13) .
N10 C14 1.365(12) .
N11 C21 1.312(12) .
N11 C25 1.355(12) .
N12 C30 1.316(11) .
N12 C26 1.363(11) .
N13 C36 1.320(10) .
N13 C33 1.351(12) .
N14 C35 1.330(10) .
N14 C36 1.333(10) .
N14 Gd1 2.636(7) 3_665
N16 C38 1.10(2) .
C9 C10 1.379(14) .
C10 C11 1.367(16) .
C11 C12 1.384(16) .
C12 C13 1.410(13) .
C12 C20 1.418(15) .
C13 C14 1.361(13) .
C14 C15 1.410(13) .
C15 C16 1.372(18) .
C15 C19 1.433(17) .
C16 C17 1.347(19) .
C17 C18 1.425(16) .
C19 C20 1.318(18) .
C21 C22 1.369(15) .
C22 C23 1.367(18) .
C23 C24 1.425(16) .
C24 C25 1.391(13) .
C24 C32 1.413(16) .
C25 C26 1.409(13) .
C26 C27 1.404(13) .
C27 C28 1.397(15) .
C27 C31 1.429(15) .
C28 C29 1.354(16) .
C29 C30 1.405(14) .
C31 C32 1.300(16) .
C33 C34 1.362(13) .
C34 C35 1.365(12) .
C36 C36 1.465(16) 3_665
C37 C38 1.37(2) .
O1A N15A 1.449(17) .
N15A O2A 1.403(17) .
N15A O3A 1.409(15) .
