#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:56:05 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180456 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/25/7212596.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_7212596
loop_
_publ_author_name
'Visinescu, Diana'
'Fabelo, Oscar'
'Ruiz-Pérez, Catalina'
'Lloret, Francesc'
'Julve, Miguel'
_publ_section_title
;
 [Fe(phen)(CN)4]−: a suitable metalloligand unit to build 3d--4f
 heterobimetallic complexes with mixed bpym-cyano bridges (phen =
 1,10-phenantroline, bpym = 2,2′-bipyrimidine)
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2454
_journal_paper_doi               10.1039/c002305a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C72 H74 Fe4 Gd2 N30 O23'
_chemical_formula_weight         2265.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                94.712(7)
_cell_angle_beta                 104.484(5)
_cell_angle_gamma                92.130(5)
_cell_formula_units_Z            1
_cell_length_a                   10.1241(6)
_cell_length_b                   14.9965(12)
_cell_length_c                   16.4861(10)
_cell_measurement_temperature    150(2)
_cell_volume                     2411.0(3)
_computing_cell_refinement       'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0195
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46817
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         6.42
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    2.023
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Brown
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1132
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.174
_refine_diff_density_min         -0.777
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         10868
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0303
_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)+(0.0423P)²+5.3900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0895
_reflns_number_gt                10030
_reflns_number_total             10868
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002305a.txt
_cod_data_source_block           compound2
_cod_database_code               7212596
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
Gd1 Gd 0.706951(13) 0.664815(9) 0.129124(8) 0.01638(5) Uani 1 1 d .
Fe1 Fe 1.12579(4) 0.45325(3) 0.27057(2) 0.01826(9) Uani 1 1 d .
Fe2 Fe 0.37330(5) 0.91928(3) 0.20899(3) 0.02337(10) Uani 1 1 d .
C1 C 0.7935(3) 0.4718(2) 0.0301(2) 0.0237(6) Uani 1 1 d .
H1 H 0.8799 0.4962 0.0589 0.028 Uiso 1 1 calc R
C2 C 0.7822(3) 0.3937(2) -0.0210(2) 0.0308(7) Uani 1 1 d .
H2 H 0.8594 0.3654 -0.0279 0.037 Uiso 1 1 calc R
C3 C 0.6530(3) 0.3584(2) -0.0619(2) 0.0286(7) Uani 1 1 d .
H3 H 0.6433 0.3052 -0.0967 0.034 Uiso 1 1 calc R
C4 C 0.5614(3) 0.47604(18) -0.00384(17) 0.0165(5) Uani 1 1 d .
C5 C 0.9822(3) 0.5309(2) 0.23250(18) 0.0206(6) Uani 1 1 d .
C6 C 0.4974(3) 0.8289(2) 0.19939(19) 0.0220(6) Uani 1 1 d .
C7 C 1.0974(3) 0.4046(2) 0.15645(19) 0.0247(6) Uani 1 1 d .
C8 C 1.2637(3) 0.5377(2) 0.25203(19) 0.0241(6) Uani 1 1 d .
C9 C 0.9835(4) 0.3683(2) 0.2833(2) 0.0302(7) Uani 1 1 d .
C10 C 0.4013(4) 0.8937(3) 0.3239(2) 0.0377(8) Uani 1 1 d .
C11 C 0.5256(4) 1.0085(2) 0.2420(2) 0.0337(7) Uani 1 1 d .
C12 C 0.2247(3) 0.8267(2) 0.1732(2) 0.0239(6) Uani 1 1 d .
C13 C 1.3270(4) 0.3096(2) 0.2708(2) 0.0337(7) Uani 1 1 d .
H13 H 1.2951 0.3014 0.2125 0.040 Uiso 1 1 calc R
C14 C 1.4299(5) 0.2566(3) 0.3105(3) 0.0488(11) Uani 1 1 d .
H14 H 1.4645 0.2134 0.2790 0.059 Uiso 1 1 calc R
C15 C 1.4794(6) 0.2687(4) 0.3964(4) 0.0700(17) Uani 1 1 d .
H15 H 1.5475 0.2335 0.4234 0.084 Uiso 1 1 calc R
C16 C 1.4268(5) 0.3346(4) 0.4432(3) 0.0635(15) Uani 1 1 d .
C17 C 1.3222(4) 0.3846(3) 0.3983(2) 0.0398(9) Uani 1 1 d .
C18 C 1.4727(7) 0.3568(7) 0.5333(4) 0.101(3) Uani 1 1 d .
H18 H 1.5417 0.3252 0.5647 0.122 Uiso 1 1 calc R
C19 C 1.4173(7) 0.4221(7) 0.5724(3) 0.105(3) Uani 1 1 d .
H19 H 1.4494 0.4348 0.6304 0.126 Uiso 1 1 calc R
C20 C 1.3114(6) 0.4722(5) 0.5280(3) 0.0690(17) Uani 1 1 d .
C21 C 1.2646(4) 0.4529(3) 0.4402(2) 0.0411(9) Uani 1 1 d .
C22 C 1.1090(4) 0.5620(3) 0.4282(2) 0.0389(8) Uani 1 1 d .
H22 H 1.0412 0.5930 0.3951 0.047 Uiso 1 1 calc R
C23 C 1.1483(6) 0.5855(4) 0.5154(3) 0.0592(13) Uani 1 1 d .
H23 H 1.1059 0.6308 0.5393 0.071 Uiso 1 1 calc R
C24 C 1.2479(6) 0.5421(5) 0.5643(3) 0.082(2) Uani 1 1 d .
H24 H 1.2750 0.5581 0.6220 0.099 Uiso 1 1 calc R
C25 C 0.1948(4) 1.0461(3) 0.2781(3) 0.0435(9) Uani 1 1 d .
H25 H 0.2288 1.0253 0.3304 0.052 Uiso 1 1 calc R
C26 C 0.0969(5) 1.1113(3) 0.2699(3) 0.0518(11) Uani 1 1 d .
H26 H 0.0671 1.1328 0.3163 0.062 Uiso 1 1 calc R
C27 C 0.0457(4) 1.1432(3) 0.1933(3) 0.0478(11) Uani 1 1 d .
H27 H -0.0193 1.1860 0.1875 0.057 Uiso 1 1 calc R
C28 C 0.0922(4) 1.1108(2) 0.1238(3) 0.0381(8) Uani 1 1 d .
C29 C 0.1906(3) 1.0458(2) 0.1375(2) 0.0312(7) Uani 1 1 d .
C30 C 0.0470(4) 1.1377(3) 0.0405(3) 0.0442(10) Uani 1 1 d .
H30 H -0.0177 1.1806 0.0304 0.053 Uiso 1 1 calc R
C31 C 0.0945(4) 1.1032(3) -0.0233(3) 0.0409(9) Uani 1 1 d .
H31 H 0.0620 1.1222 -0.0766 0.049 Uiso 1 1 calc R
C32 C 0.1952(4) 1.0370(2) -0.0106(3) 0.0338(8) Uani 1 1 d .
C33 C 0.2417(3) 1.0097(2) 0.0703(2) 0.0284(7) Uani 1 1 d .
C34 C 0.3868(3) 0.9113(2) 0.0278(2) 0.0284(7) Uani 1 1 d .
H34 H 0.4521 0.8691 0.0402 0.034 Uiso 1 1 calc R
C35 C 0.3450(4) 0.9345(3) -0.0549(2) 0.0352(8) Uani 1 1 d .
H35 H 0.3818 0.9075 -0.0964 0.042 Uiso 1 1 calc R
C36 C 0.2495(4) 0.9973(3) -0.0744(3) 0.0369(8) Uani 1 1 d .
H36 H 0.2212 1.0133 -0.1291 0.044 Uiso 1 1 calc R
N1 N 0.6826(2) 0.51394(16) 0.03960(15) 0.0187(5) Uani 1 1 d .
N1A N 0.6126(3) 0.7474(2) -0.0399(2) 0.0325(6) Uani 1 1 d .
N2 N 0.5409(2) 0.39875(17) -0.05288(16) 0.0201(5) Uani 1 1 d .
N3 N 0.8919(3) 0.57392(18) 0.20747(17) 0.0238(5) Uani 1 1 d .
N4 N 0.5672(3) 0.77236(18) 0.18868(17) 0.0239(5) Uani 1 1 d .
N5 N 1.0854(3) 0.3725(2) 0.08923(18) 0.0342(7) Uani 1 1 d .
N6 N 1.3507(3) 0.5835(2) 0.2410(2) 0.0353(7) Uani 1 1 d .
N7 N 0.8944(4) 0.3212(2) 0.2882(3) 0.0497(9) Uani 1 1 d .
N8 N 0.4183(5) 0.8792(3) 0.3930(2) 0.0611(11) Uani 1 1 d .
N9 N 0.6174(4) 1.0600(2) 0.2617(3) 0.0503(9) Uani 1 1 d .
N10 N 0.1377(3) 0.77263(19) 0.14818(19) 0.0299(6) Uani 1 1 d .
N11 N 1.2729(3) 0.37124(19) 0.31321(17) 0.0263(5) Uani 1 1 d .
N12 N 1.1651(3) 0.4973(2) 0.39152(16) 0.0281(6) Uani 1 1 d .
N13 N 0.2400(3) 1.01341(19) 0.2134(2) 0.0321(6) Uani 1 1 d .
N14 N 0.3365(3) 0.94743(17) 0.08935(18) 0.0251(5) Uani 1 1 d .
O1A O 0.6360(3) 0.78328(19) 0.03589(16) 0.0368(6) Uani 1 1 d .
O1W O 0.8926(2) 0.67956(15) 0.06887(14) 0.0244(4) Uani 1 1 d .
O2A O 0.6285(3) 0.66553(18) -0.0486(2) 0.0449(7) Uani 1 1 d .
O3W O 0.8586(2) 0.76564(17) 0.22893(17) 0.0345(6) Uani 1 1 d .
O3A O 0.5776(4) 0.7934(2) -0.09849(18) 0.0532(8) Uani 1 1 d .
O2W O 0.6168(2) 0.58029(18) 0.22141(16) 0.0324(5) Uani 1 1 d .
O7W O 0.8582(5) 0.9389(3) 0.2877(3) 0.0895(15) Uani 1 1 d .
O6W O 0.7980(6) 1.1862(3) 0.3735(2) 0.0905(16) Uani 1 1 d .
O4W O 0.6211(4) 0.3976(2) 0.2022(3) 0.0695(11) Uani 1 1 d .
O8W O 1.0652(6) 0.9896(4) 0.4367(3) 0.0986(15) Uani 1 1 d .
O5W O 1.1067(4) 0.7312(3) 0.3268(2) 0.0685(11) Uani 1 1 d .
O9W O 0.7916(9) 1.1588(5) 0.5313(4) 0.0635(19) Uani 0.50 1 d P
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'
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'
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
C7 Fe1 C5 87.87(13) . .
C7 Fe1 C8 88.24(14) . .
C5 Fe1 C8 92.35(13) . .
C7 Fe1 C9 89.25(14) . .
C5 Fe1 C9 86.34(14) . .
C8 Fe1 C9 177.22(14) . .
C7 Fe1 N12 175.90(13) . .
C5 Fe1 N12 96.21(12) . .
C8 Fe1 N12 91.88(13) . .
C9 Fe1 N12 90.71(13) . .
C7 Fe1 N11 93.36(12) . .
C5 Fe1 N11 178.17(12) . .
C8 Fe1 N11 89.04(12) . .
C9 Fe1 N11 92.32(14) . .
N12 Fe1 N11 82.55(12) . .
C6 Fe2 C10 86.39(14) . .
C6 Fe2 C11 89.68(14) . .
C10 Fe2 C11 89.94(18) . .
C6 Fe2 C12 88.22(12) . .
C10 Fe2 C12 91.04(16) . .
C11 Fe2 C12 177.62(14) . .
C6 Fe2 N14 95.66(12) . .
C10 Fe2 N14 177.67(14) . .
C11 Fe2 N14 91.18(14) . .
C12 Fe2 N14 87.92(12) . .
C6 Fe2 N13 177.42(13) . .
C10 Fe2 N13 96.03(15) . .
C11 Fe2 N13 91.20(14) . .
C12 Fe2 N13 90.85(12) . .
N14 Fe2 N13 81.90(12) . .
O3W Gd1 O1W 77.74(8) . .
O3W Gd1 O2W 99.44(10) . .
O1W Gd1 O2W 143.29(8) . .
O3W Gd1 O1A 91.70(10) . .
O1W Gd1 O1A 78.31(8) . .
O2W Gd1 O1A 138.29(8) . .
O3W Gd1 N4 72.70(9) . .
O1W Gd1 N4 134.40(8) . .
O2W Gd1 N4 76.40(9) . .
O1A Gd1 N4 68.83(9) . .
O3W Gd1 N3 73.54(9) . .
O1W Gd1 N3 72.83(8) . .
O2W Gd1 N3 71.36(8) . .
O1A Gd1 N3 149.71(9) . .
N4 Gd1 N3 127.87(9) . .
O3W Gd1 N1 144.91(8) . .
O1W Gd1 N1 79.11(8) . .
O2W Gd1 N1 83.94(9) . .
O1A Gd1 N1 108.98(9) . .
N4 Gd1 N1 140.75(8) . .
N3 Gd1 N1 74.63(8) . .
O3W Gd1 N2 151.04(8) . 2_665
O1W Gd1 N2 126.85(8) . 2_665
O2W Gd1 N2 70.38(8) . 2_665
O1A Gd1 N2 80.54(9) . 2_665
N4 Gd1 N2 78.50(8) . 2_665
N3 Gd1 N2 124.58(8) . 2_665
N1 Gd1 N2 62.88(8) . 2_665
O3W Gd1 O2A 128.72(9) . .
O1W Gd1 O2A 66.47(8) . .
O2W Gd1 O2A 131.20(9) . .
O1A Gd1 O2A 47.10(8) . .
N4 Gd1 O2A 107.68(8) . .
N3 Gd1 O2A 124.42(8) . .
N1 Gd1 O2A 62.07(8) . .
N2 Gd1 O2A 63.40(8) 2_665 .
N1 C1 C2 121.6(3) . .
C1 C2 C3 117.9(3) . .
N2 C3 C2 121.7(3) . .
N1 C4 N2 125.8(2) . .
N1 C4 C4 116.9(3) . 2_665
N2 C4 C4 117.3(3) . 2_665
N3 C5 Fe1 176.6(3) . .
N4 C6 Fe2 175.7(3) . .
N5 C7 Fe1 176.6(3) . .
N6 C8 Fe1 175.9(3) . .
N7 C9 Fe1 176.2(4) . .
N8 C10 Fe2 179.4(4) . .
N9 C11 Fe2 178.7(3) . .
N10 C12 Fe2 176.7(3) . .
N11 C13 C14 122.4(4) . .
C15 C14 C13 119.5(4) . .
C14 C15 C16 119.7(4) . .
C15 C16 C17 117.2(4) . .
C15 C16 C18 125.6(5) . .
C17 C16 C18 117.2(5) . .
N11 C17 C16 122.6(4) . .
N11 C17 C21 116.4(3) . .
C16 C17 C21 121.0(4) . .
C19 C18 C16 121.3(5) . .
C18 C19 C20 121.9(5) . .
C21 C20 C19 118.5(5) . .
C21 C20 C24 116.0(5) . .
C19 C20 C24 125.5(5) . .
N12 C21 C20 123.3(4) . .
N12 C21 C17 116.6(3) . .
C20 C21 C17 120.1(4) . .
N12 C22 C23 122.3(4) . .
C24 C23 C22 119.7(5) . .
C23 C24 C20 120.2(4) . .
N13 C25 C26 122.0(4) . .
C27 C26 C25 120.0(4) . .
C26 C27 C28 119.5(4) . .
C27 C28 C29 117.0(4) . .
C27 C28 C30 125.3(4) . .
C29 C28 C30 117.7(4) . .
N13 C29 C28 123.4(4) . .
N13 C29 C33 116.4(3) . .
C28 C29 C33 120.2(4) . .
C31 C30 C28 122.2(3) . .
C30 C31 C32 120.9(4) . .
C33 C32 C36 117.6(3) . .
C33 C32 C31 118.1(4) . .
C36 C32 C31 124.3(4) . .
N14 C33 C32 123.0(3) . .
N14 C33 C29 116.1(3) . .
C32 C33 C29 120.8(3) . .
N14 C34 C35 122.5(3) . .
C36 C35 C34 119.7(4) . .
C35 C36 C32 119.1(4) . .
C4 N1 C1 116.5(2) . .
C4 N1 Gd1 122.42(18) . .
C1 N1 Gd1 120.92(19) . .
O3A N1A O2A 123.9(3) . .
O3A N1A O1A 119.9(3) . .
O2A N1A O1A 116.2(3) . .
C4 N2 C3 116.4(2) . .
C4 N2 Gd1 120.47(18) . 2_665
C3 N2 Gd1 123.06(19) . 2_665
C5 N3 Gd1 170.0(2) . .
C6 N4 Gd1 165.2(3) . .
C13 N11 C17 118.6(3) . .
C13 N11 Fe1 129.4(2) . .
C17 N11 Fe1 112.0(2) . .
C22 N12 C21 118.5(3) . .
C22 N12 Fe1 129.0(3) . .
C21 N12 Fe1 112.5(2) . .
C25 N13 C29 118.1(3) . .
C25 N13 Fe2 129.2(3) . .
C29 N13 Fe2 112.7(2) . .
C34 N14 C33 118.1(3) . .
C34 N14 Fe2 129.0(2) . .
C33 N14 Fe2 112.9(2) . .
N1A O1A Gd1 107.3(2) . .
N1A O2A Gd1 89.4(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O3W 2.347(2) .
Gd1 O1W 2.347(2) .
Gd1 O2W 2.383(2) .
Gd1 O1A 2.455(3) .
Gd1 N4 2.485(3) .
Gd1 N3 2.510(3) .
Gd1 N1 2.566(2) .
Gd1 N2 2.614(2) 2_665
Gd1 O2A 2.838(3) .
Fe1 C7 1.909(3) .
Fe1 C5 1.912(3) .
Fe1 C8 1.948(3) .
Fe1 C9 1.950(4) .
Fe1 N12 1.985(3) .
Fe1 N11 1.995(3) .
Fe2 C6 1.905(3) .
Fe2 C10 1.917(4) .
Fe2 C11 1.942(4) .
Fe2 C12 1.950(3) .
Fe2 N14 1.997(3) .
Fe2 N13 1.998(3) .
C1 N1 1.345(4) .
C1 C2 1.368(4) .
C2 C3 1.376(4) .
C3 N2 1.341(4) .
C4 N1 1.336(4) .
C4 N2 1.336(4) .
C4 C4 1.486(5) 2_665
C5 N3 1.148(4) .
C6 N4 1.154(4) .
C7 N5 1.147(4) .
C8 N6 1.156(4) .
C9 N7 1.148(5) .
C10 N8 1.149(6) .
C11 N9 1.149(5) .
C12 N10 1.147(4) .
C13 N11 1.330(4) .
C13 C14 1.397(5) .
C14 C15 1.373(8) .
C15 C16 1.406(8) .
C16 C17 1.410(5) .
C16 C18 1.446(8) .
C17 N11 1.362(5) .
C17 C21 1.413(6) .
C18 C19 1.345(11) .
C19 C20 1.417(8) .
C20 C21 1.408(5) .
C20 C24 1.418(9) .
C21 N12 1.355(5) .
C22 N12 1.321(5) .
C22 C23 1.403(5) .
C23 C24 1.348(8) .
C25 N13 1.327(5) .
C25 C26 1.409(6) .
C26 C27 1.372(7) .
C27 C28 1.402(6) .
C28 C29 1.410(5) .
C28 C30 1.431(6) .
C29 N13 1.364(5) .
C29 C33 1.413(5) .
C30 C31 1.337(7) .
C31 C32 1.439(5) .
C32 C33 1.400(5) .
C32 C36 1.405(6) .
C33 N14 1.362(4) .
C34 N14 1.330(4) .
C34 C35 1.400(5) .
C35 C36 1.374(5) .
N1A O3A 1.221(4) .
N1A O2A 1.245(4) .
N1A O1A 1.280(4) .
N2 Gd1 2.614(2) 2_665
