#------------------------------------------------------------------------------
#$Date: 2019-11-17 09:28:08 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229101 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/04/7230451.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_7230451
loop_
_publ_author_name
'Du, Xue-Dong'
'Zheng, Weiwei'
'Yi, Xiao-Hong'
'Zhao, Jiong-Peng'
'Wang, Peng'
'Wang, Chong-Chen'
_publ_section_title
;
 General strategy for lanthanide coordination polymers constructed from
 1,1′-ferrocenedicarboxylic acid under hydrothermal conditions
;
_journal_issue                   18
_journal_name_full               CrystEngComm
_journal_page_first              2608
_journal_paper_doi               10.1039/C8CE00233A
_journal_volume                  20
_journal_year                    2018
_chemical_formula_moiety         'C36 H25 Fe2 Gd N2 O8'
_chemical_formula_sum            'C36 H25 Fe2 Gd N2 O8'
_chemical_formula_weight         882.53
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2018-03-17
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.11.30 svn.r3356 for OlexSys, GUI svn.r5269)
;
_audit_update_record
;
2018-03-27 deposited with the CCDC.
2018-04-10 downloaded from the CCDC.
;
_cell_angle_alpha                94.9040(10)
_cell_angle_beta                 109.074(2)
_cell_angle_gamma                117.141(3)
_cell_formula_units_Z            2
_cell_length_a                   11.4571(8)
_cell_length_b                   11.9664(9)
_cell_length_c                   13.6101(11)
_cell_measurement_reflns_used    3668
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.708
_cell_measurement_theta_min      2.919
_cell_volume                     1507.0(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298.15
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.949
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0395
_diffrn_reflns_av_unetI/netI     0.0726
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.949
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9847
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.949
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.333
_diffrn_reflns_theta_min         2.193
_exptl_absorpt_coefficient_mu    3.186
_exptl_absorpt_correction_T_max  0.8318
_exptl_absorpt_correction_T_min  0.6821
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.945
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       acicular
_exptl_crystal_F_000             870
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.474
_refine_diff_density_min         -1.384
_refine_diff_density_rms         0.196
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         7141
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0638
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0718P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1194
_refine_ls_wR_factor_ref         0.1291
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5575
_reflns_number_total             7141
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8ce00233a2.cif
_cod_data_source_block           151205a
_cod_depositor_comments
'Adding full bibliography for 7230440--7230465.cif.'
_cod_original_cell_volume        1507.1(2)
_cod_database_code               7230451
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.832
_shelx_estimated_absorpt_t_min   0.682
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All O(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4A), C5(H5), C6(H6), C9(H9), C10(H10), C11(H11), C12(H12),
 C15(H15), C16(H16), C17(H17), C18(H18), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36)
2.b Tetrahedral OH refined with riding coordinates:
 O4(H4)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Gd1 Gd -0.19854(3) 0.35931(3) 0.38422(2) 0.02443(10) Uani 1 1 d .
Fe1 Fe -0.15123(9) 0.75956(8) 0.25065(7) 0.0292(2) Uani 1 1 d .
Fe2 Fe -0.22810(9) 0.65251(9) 0.74923(7) 0.0320(2) Uani 1 1 d .
O1 O -0.0607(5) 0.5848(4) 0.4426(3) 0.0338(10) Uani 1 1 d .
O2 O 0.1259(4) 0.7818(4) 0.5284(4) 0.0356(10) Uani 1 1 d .
O3 O -0.2191(5) 0.4265(4) 0.2139(4) 0.0381(10) Uani 1 1 d .
O4 O -0.4172(5) 0.4015(5) 0.0881(4) 0.0499(13) Uani 1 1 d .
H4 H -0.4638 0.3846 0.1251 0.075 Uiso 1 1 calc R
O5 O -0.2063(4) 0.4160(4) 0.5500(3) 0.0339(10) Uani 1 1 d .
O6 O 0.0015(4) 0.5971(4) 0.6598(3) 0.0330(10) Uani 1 1 d .
O7 O -0.5836(5) 0.6324(4) 0.6828(4) 0.0397(11) Uani 1 1 d .
O8 O -0.4313(5) 0.7687(5) 0.8503(4) 0.0457(12) Uani 1 1 d .
N1 N -0.4267(5) 0.1496(5) 0.3810(4) 0.0329(11) Uani 1 1 d .
N2 N -0.3114(5) 0.1468(5) 0.2354(4) 0.0321(11) Uani 1 1 d .
C1 C -0.0023(6) 0.7067(6) 0.4618(4) 0.0268(12) Uani 1 1 d .
C2 C -0.0885(6) 0.7634(6) 0.4084(4) 0.0275(12) Uani 1 1 d .
C3 C -0.0350(7) 0.8928(6) 0.3980(5) 0.0317(13) Uani 1 1 d .
H3 H 0.0613 0.9584 0.4242 0.038 Uiso 1 1 calc R
C4 C -0.1559(7) 0.9033(6) 0.3403(5) 0.0365(14) Uani 1 1 d .
H4A H -0.1523 0.9781 0.3230 0.044 Uiso 1 1 calc R
C5 C -0.2812(7) 0.7829(7) 0.3136(5) 0.0381(15) Uani 1 1 d .
H5 H -0.3746 0.7640 0.2750 0.046 Uiso 1 1 calc R
C6 C -0.2426(6) 0.6941(6) 0.3551(5) 0.0333(13) Uani 1 1 d .
H6 H -0.3053 0.6074 0.3489 0.040 Uiso 1 1 calc R
C7 C -0.2818(6) 0.4689(6) 0.1504(5) 0.0317(13) Uani 1 1 d .
C8 C -0.2038(6) 0.6009(6) 0.1403(5) 0.0314(13) Uani 1 1 d .
C9 C -0.0526(7) 0.6865(7) 0.1904(5) 0.0365(14) Uani 1 1 d .
H9 H 0.0142 0.6663 0.2310 0.044 Uiso 1 1 calc R
C10 C -0.0208(8) 0.8074(7) 0.1683(6) 0.0415(16) Uani 1 1 d .
H10 H 0.0705 0.8805 0.1903 0.050 Uiso 1 1 calc R
C11 C -0.1538(8) 0.7975(7) 0.1060(5) 0.0413(16) Uani 1 1 d .
H11 H -0.1642 0.8638 0.0811 0.050 Uiso 1 1 calc R
C12 C -0.2667(7) 0.6707(7) 0.0886(5) 0.0369(14) Uani 1 1 d .
H12 H -0.3645 0.6384 0.0503 0.044 Uiso 1 1 calc R
C13 C -0.1253(6) 0.5077(6) 0.6354(5) 0.0277(12) Uani 1 1 d .
C14 C -0.1832(7) 0.5124(6) 0.7176(5) 0.0306(13) Uani 1 1 d .
C15 C -0.1000(7) 0.5856(7) 0.8282(5) 0.0361(14) Uani 1 1 d .
H15 H 0.0000 0.6336 0.8627 0.043 Uiso 1 1 calc R
C16 C -0.1965(8) 0.5728(7) 0.8771(6) 0.0403(16) Uani 1 1 d .
H16 H -0.1702 0.6102 0.9493 0.048 Uiso 1 1 calc R
C17 C -0.3361(8) 0.4951(7) 0.7987(6) 0.0411(16) Uani 1 1 d .
H17 H -0.4192 0.4731 0.8092 0.049 Uiso 1 1 calc R
C18 C -0.3315(7) 0.4549(6) 0.7005(6) 0.0364(14) Uani 1 1 d .
H18 H -0.4108 0.4006 0.6358 0.044 Uiso 1 1 calc R
C19 C -0.4589(7) 0.7143(6) 0.7541(5) 0.0338(14) Uani 1 1 d .
C20 C -0.3353(7) 0.7498(7) 0.7270(5) 0.0373(15) Uani 1 1 d .
C21 C -0.3356(9) 0.7026(8) 0.6283(6) 0.0503(19) Uani 1 1 d .
H21 H -0.4161 0.6446 0.5654 0.060 Uiso 1 1 calc R
C22 C -0.1884(10) 0.7611(9) 0.6437(8) 0.058(2) Uani 1 1 d .
H22 H -0.1563 0.7485 0.5916 0.070 Uiso 1 1 calc R
C23 C -0.1014(8) 0.8401(8) 0.7497(8) 0.053(2) Uani 1 1 d .
H23 H -0.0013 0.8882 0.7805 0.063 Uiso 1 1 calc R
C24 C -0.1892(7) 0.8351(7) 0.8017(6) 0.0425(16) Uani 1 1 d .
H24 H -0.1579 0.8797 0.8730 0.051 Uiso 1 1 calc R
C25 C -0.4885(7) 0.1521(7) 0.4463(6) 0.0381(15) Uani 1 1 d .
H25 H -0.4462 0.2298 0.4991 0.046 Uiso 1 1 calc R
C26 C -0.6135(8) 0.0454(8) 0.4414(7) 0.0492(18) Uani 1 1 d .
H26 H -0.6534 0.0528 0.4894 0.059 Uiso 1 1 calc R
C27 C -0.6764(7) -0.0697(7) 0.3654(7) 0.051(2) Uani 1 1 d .
H27 H -0.7589 -0.1428 0.3615 0.062 Uiso 1 1 calc R
C28 C -0.6149(7) -0.0763(7) 0.2931(6) 0.0437(17) Uani 1 1 d .
C29 C -0.4919(6) 0.0360(6) 0.3024(5) 0.0308(13) Uani 1 1 d .
C30 C -0.4272(6) 0.0345(6) 0.2282(5) 0.0320(13) Uani 1 1 d .
C31 C -0.4888(7) -0.0827(6) 0.1478(6) 0.0403(16) Uani 1 1 d .
C32 C -0.4234(8) -0.0798(7) 0.0771(6) 0.0488(19) Uani 1 1 d .
H32 H -0.4596 -0.1556 0.0241 0.059 Uiso 1 1 calc R
C33 C -0.3073(8) 0.0329(7) 0.0849(6) 0.0451(17) Uani 1 1 d .
H33 H -0.2636 0.0357 0.0375 0.054 Uiso 1 1 calc R
C34 C -0.2556(7) 0.1439(7) 0.1656(6) 0.0392(15) Uani 1 1 d .
H34 H -0.1765 0.2210 0.1706 0.047 Uiso 1 1 calc R
C35 C -0.6744(8) -0.1937(7) 0.2103(7) 0.057(2) Uani 1 1 d .
H35 H -0.7566 -0.2691 0.2036 0.069 Uiso 1 1 calc R
C36 C -0.6123(8) -0.1955(7) 0.1423(7) 0.055(2) Uani 1 1 d .
H36 H -0.6516 -0.2731 0.0902 0.067 Uiso 1 1 calc R
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
O1 Gd1 O1 75.49(15) . 2_566
O1 Gd1 O2 123.36(15) . 2_566
O1 Gd1 O3 75.88(15) . .
O1 Gd1 O5 75.03(15) . .
O1 Gd1 O6 77.64(15) . 2_566
O1 Gd1 O7 90.78(15) . 2_466
O1 Gd1 N1 145.04(16) . .
O1 Gd1 N2 148.35(17) . .
O1 Gd1 C1 99.96(16) . 2_566
O1 Gd1 C1 24.47(13) 2_566 2_566
O2 Gd1 O1 48.02(13) 2_566 2_566
O2 Gd1 O3 137.72(14) 2_566 .
O2 Gd1 N1 69.90(15) 2_566 .
O2 Gd1 N2 73.38(15) 2_566 .
O2 Gd1 C1 23.65(15) 2_566 2_566
O3 Gd1 O1 126.56(13) . 2_566
O3 Gd1 N1 117.83(16) . .
O3 Gd1 N2 75.07(16) . .
O3 Gd1 C1 135.50(15) . 2_566
O5 Gd1 O1 70.55(13) . 2_566
O5 Gd1 O2 81.79(15) . 2_566
O5 Gd1 O3 140.02(15) . .
O5 Gd1 O6 130.87(14) . 2_566
O5 Gd1 O7 81.31(15) . 2_466
O5 Gd1 N1 75.56(15) . .
O5 Gd1 N2 136.52(16) . .
O5 Gd1 C1 76.58(15) . 2_566
O6 Gd1 O1 63.46(13) 2_566 2_566
O6 Gd1 O2 80.27(15) 2_566 2_566
O6 Gd1 O3 66.90(14) 2_566 .
O6 Gd1 O7 139.12(16) 2_566 2_466
O6 Gd1 N1 136.89(15) 2_566 .
O6 Gd1 N2 79.66(15) 2_566 .
O6 Gd1 C1 68.94(15) 2_566 2_566
O7 Gd1 O1 150.96(14) 2_466 2_566
O7 Gd1 O2 135.78(15) 2_466 2_566
O7 Gd1 O3 72.27(15) 2_466 .
O7 Gd1 N1 66.40(15) 2_466 .
O7 Gd1 N2 92.13(15) 2_466 .
O7 Gd1 C1 151.87(16) 2_466 2_566
N1 Gd1 O1 111.51(14) . 2_566
N1 Gd1 C1 91.16(16) . 2_566
N2 Gd1 O1 113.05(14) . 2_566
N2 Gd1 N1 62.67(17) . .
N2 Gd1 C1 92.07(16) . 2_566
C2 Fe1 C3 41.2(2) . .
C2 Fe1 C4 68.4(2) . .
C2 Fe1 C5 68.6(2) . .
C2 Fe1 C6 41.4(2) . .
C2 Fe1 C8 119.0(2) . .
C2 Fe1 C9 106.5(2) . .
C2 Fe1 C10 125.5(3) . .
C2 Fe1 C11 163.4(3) . .
C2 Fe1 C12 154.4(3) . .
C3 Fe1 C4 40.7(2) . .
C3 Fe1 C5 68.3(3) . .
C3 Fe1 C6 69.4(3) . .
C3 Fe1 C10 107.0(3) . .
C3 Fe1 C11 126.1(3) . .
C3 Fe1 C12 163.6(3) . .
C4 Fe1 C10 120.3(3) . .
C5 Fe1 C4 39.8(3) . .
C5 Fe1 C10 154.4(3) . .
C5 Fe1 C11 120.6(3) . .
C6 Fe1 C4 68.1(3) . .
C6 Fe1 C5 40.6(2) . .
C6 Fe1 C10 163.5(3) . .
C6 Fe1 C11 154.3(3) . .
C6 Fe1 C12 119.7(3) . .
C8 Fe1 C3 153.4(2) . .
C8 Fe1 C4 164.4(3) . .
C8 Fe1 C5 127.4(3) . .
C8 Fe1 C6 107.5(3) . .
C8 Fe1 C10 68.1(3) . .
C8 Fe1 C11 68.1(3) . .
C8 Fe1 C12 41.1(2) . .
C9 Fe1 C3 118.3(3) . .
C9 Fe1 C4 153.7(3) . .
C9 Fe1 C5 164.5(3) . .
C9 Fe1 C6 126.1(3) . .
C9 Fe1 C8 40.9(2) . .
C9 Fe1 C10 40.3(3) . .
C9 Fe1 C11 68.2(3) . .
C9 Fe1 C12 68.9(3) . .
C11 Fe1 C4 108.9(3) . .
C11 Fe1 C10 40.5(3) . .
C12 Fe1 C4 126.9(3) . .
C12 Fe1 C5 108.8(3) . .
C12 Fe1 C10 68.2(3) . .
C12 Fe1 C11 40.2(3) . .
C14 Fe2 C15 41.1(2) . .
C14 Fe2 C16 68.7(2) . .
C14 Fe2 C17 69.1(3) . .
C14 Fe2 C18 41.6(2) . .
C14 Fe2 C20 158.4(3) . .
C14 Fe2 C21 121.3(3) . .
C14 Fe2 C22 106.0(3) . .
C14 Fe2 C23 121.5(3) . .
C14 Fe2 C24 157.7(3) . .
C15 Fe2 C16 40.7(3) . .
C15 Fe2 C17 68.0(3) . .
C15 Fe2 C22 123.8(3) . .
C15 Fe2 C23 109.0(3) . .
C17 Fe2 C16 39.5(3) . .
C18 Fe2 C15 68.7(3) . .
C18 Fe2 C16 67.5(3) . .
C18 Fe2 C17 40.5(3) . .
C18 Fe2 C21 105.2(3) . .
C18 Fe2 C22 121.2(3) . .
C18 Fe2 C23 157.2(3) . .
C18 Fe2 C24 160.2(3) . .
C20 Fe2 C15 159.2(3) . .
C20 Fe2 C16 123.1(3) . .
C20 Fe2 C17 107.6(3) . .
C20 Fe2 C18 122.1(3) . .
C20 Fe2 C21 40.8(3) . .
C20 Fe2 C22 68.3(3) . .
C20 Fe2 C23 68.4(3) . .
C20 Fe2 C24 41.2(3) . .
C21 Fe2 C15 159.3(3) . .
C21 Fe2 C16 157.0(3) . .
C21 Fe2 C17 121.0(3) . .
C21 Fe2 C22 41.2(3) . .
C21 Fe2 C23 68.6(3) . .
C21 Fe2 C24 68.8(3) . .
C22 Fe2 C16 161.4(3) . .
C22 Fe2 C17 157.2(4) . .
C22 Fe2 C23 39.8(3) . .
C23 Fe2 C16 126.5(3) . .
C23 Fe2 C17 161.5(3) . .
C24 Fe2 C15 123.5(3) . .
C24 Fe2 C16 110.3(3) . .
C24 Fe2 C17 125.2(3) . .
C24 Fe2 C22 67.4(3) . .
C24 Fe2 C23 40.0(3) . .
Gd1 O1 Gd1 104.51(15) . 2_566
C1 O1 Gd1 84.9(3) . 2_566
C1 O1 Gd1 170.6(4) . .
C1 O2 Gd1 105.1(4) . 2_566
C7 O3 Gd1 142.8(4) . .
C7 O4 H4 109.5 . .
C13 O5 Gd1 136.2(4) . .
C13 O6 Gd1 140.1(4) . 2_566
C19 O7 Gd1 131.4(4) . 2_466
C25 N1 Gd1 123.1(4) . .
C25 N1 C29 117.2(6) . .
C29 N1 Gd1 119.4(4) . .
C30 N2 Gd1 121.4(4) . .
C34 N2 Gd1 120.5(4) . .
C34 N2 C30 118.1(5) . .
O1 C1 Gd1 70.6(3) . 2_566
O1 C1 C2 119.3(5) . .
O2 C1 Gd1 51.2(3) . 2_566
O2 C1 O1 121.4(5) . .
O2 C1 C2 119.2(5) . .
C2 C1 Gd1 166.8(4) . 2_566
C1 C2 Fe1 124.7(4) . .
C3 C2 Fe1 69.7(3) . .
C3 C2 C1 126.8(5) . .
C3 C2 C6 108.1(5) . .
C6 C2 Fe1 70.0(3) . .
C6 C2 C1 125.1(6) . .
Fe1 C3 H3 125.5 . .
C2 C3 Fe1 69.1(3) . .
C2 C3 H3 126.4 . .
C4 C3 Fe1 70.7(3) . .
C4 C3 C2 107.3(5) . .
C4 C3 H3 126.4 . .
Fe1 C4 H4A 127.4 . .
C3 C4 Fe1 68.6(3) . .
C3 C4 H4A 125.6 . .
C5 C4 Fe1 69.9(4) . .
C5 C4 C3 108.7(6) . .
C5 C4 H4A 125.6 . .
Fe1 C5 H5 126.6 . .
C4 C5 Fe1 70.3(4) . .
C4 C5 H5 125.6 . .
C4 C5 C6 108.9(6) . .
C6 C5 Fe1 69.2(4) . .
C6 C5 H5 125.6 . .
Fe1 C6 H6 126.2 . .
C2 C6 Fe1 68.6(3) . .
C2 C6 H6 126.5 . .
C5 C6 Fe1 70.2(4) . .
C5 C6 C2 107.0(6) . .
C5 C6 H6 126.5 . .
O3 C7 O4 123.4(6) . .
O3 C7 C8 121.0(5) . .
O4 C7 C8 115.6(6) . .
C7 C8 Fe1 121.1(4) . .
C9 C8 Fe1 69.5(3) . .
C9 C8 C7 125.6(6) . .
C9 C8 C12 108.0(6) . .
C12 C8 Fe1 70.0(3) . .
C12 C8 C7 126.1(6) . .
Fe1 C9 H9 124.9 . .
C8 C9 Fe1 69.6(3) . .
C8 C9 H9 125.8 . .
C10 C9 Fe1 71.2(4) . .
C10 C9 C8 108.3(6) . .
C10 C9 H9 125.8 . .
Fe1 C10 H10 127.4 . .
C9 C10 Fe1 68.5(4) . .
C9 C10 H10 126.2 . .
C9 C10 C11 107.6(6) . .
C11 C10 Fe1 69.4(4) . .
C11 C10 H10 126.2 . .
Fe1 C11 H11 126.5 . .
C10 C11 Fe1 70.0(4) . .
C10 C11 H11 125.7 . .
C12 C11 Fe1 69.4(4) . .
C12 C11 C10 108.6(6) . .
C12 C11 H11 125.7 . .
Fe1 C12 H12 125.9 . .
C8 C12 Fe1 69.0(3) . .
C8 C12 H12 126.3 . .
C11 C12 Fe1 70.4(4) . .
C11 C12 C8 107.5(6) . .
C11 C12 H12 126.3 . .
O5 C13 O6 126.6(5) . .
O5 C13 C14 117.6(5) . .
O6 C13 C14 115.8(5) . .
C13 C14 Fe2 121.3(4) . .
C15 C14 Fe2 70.1(3) . .
C15 C14 C13 125.7(6) . .
C15 C14 C18 106.5(5) . .
C18 C14 Fe2 69.4(3) . .
C18 C14 C13 127.7(6) . .
Fe2 C15 H15 126.0 . .
C14 C15 Fe2 68.8(3) . .
C14 C15 H15 125.9 . .
C14 C15 C16 108.1(6) . .
C16 C15 Fe2 70.7(4) . .
C16 C15 H15 125.9 . .
Fe2 C16 H16 127.8 . .
C15 C16 Fe2 68.6(4) . .
C15 C16 H16 125.8 . .
C17 C16 Fe2 69.4(4) . .
C17 C16 C15 108.3(6) . .
C17 C16 H16 125.8 . .
Fe2 C17 H17 125.8 . .
C16 C17 Fe2 71.1(4) . .
C16 C17 H17 125.6 . .
C16 C17 C18 108.9(6) . .
C18 C17 Fe2 69.1(4) . .
C18 C17 H17 125.6 . .
Fe2 C18 H18 126.3 . .
C14 C18 Fe2 68.9(3) . .
C14 C18 H18 125.9 . .
C17 C18 Fe2 70.4(4) . .
C17 C18 C14 108.2(6) . .
C17 C18 H18 125.9 . .
O7 C19 O8 124.7(6) . .
O7 C19 C20 118.8(6) . .
O8 C19 C20 116.5(6) . .
C19 C20 Fe2 122.9(5) . .
C21 C20 Fe2 69.8(4) . .
C21 C20 C19 127.9(6) . .
C21 C20 C24 107.8(6) . .
C24 C20 Fe2 69.8(4) . .
C24 C20 C19 124.2(6) . .
Fe2 C21 H21 125.6 . .
C20 C21 Fe2 69.4(4) . .
C20 C21 H21 126.6 . .
C20 C21 C22 106.8(7) . .
C22 C21 Fe2 70.0(5) . .
C22 C21 H21 126.6 . .
Fe2 C22 H22 126.9 . .
C21 C22 Fe2 68.8(4) . .
C21 C22 H22 125.7 . .
C23 C22 Fe2 70.1(5) . .
C23 C22 C21 108.6(7) . .
C23 C22 H22 125.7 . .
Fe2 C23 H23 126.2 . .
C22 C23 Fe2 70.1(5) . .
C22 C23 H23 125.7 . .
C24 C23 Fe2 69.6(4) . .
C24 C23 C22 108.5(7) . .
C24 C23 H23 125.7 . .
Fe2 C24 H24 126.2 . .
C20 C24 Fe2 69.0(4) . .
C20 C24 H24 125.9 . .
C23 C24 Fe2 70.5(4) . .
C23 C24 C20 108.2(7) . .
C23 C24 H24 125.9 . .
N1 C25 H25 118.0 . .
N1 C25 C26 124.1(7) . .
C26 C25 H25 118.0 . .
C25 C26 H26 120.5 . .
C27 C26 C25 119.0(7) . .
C27 C26 H26 120.5 . .
C26 C27 H27 120.6 . .
C26 C27 C28 118.9(7) . .
C28 C27 H27 120.6 . .
C27 C28 C35 122.6(7) . .
C29 C28 C27 118.1(7) . .
C29 C28 C35 119.3(7) . .
N1 C29 C28 122.7(6) . .
N1 C29 C30 117.3(5) . .
C28 C29 C30 120.0(6) . .
N2 C30 C29 119.1(5) . .
N2 C30 C31 121.9(6) . .
C31 C30 C29 119.0(6) . .
C30 C31 C36 119.3(7) . .
C32 C31 C30 117.2(7) . .
C32 C31 C36 123.5(7) . .
C31 C32 H32 119.7 . .
C33 C32 C31 120.6(6) . .
C33 C32 H32 119.7 . .
C32 C33 H33 121.0 . .
C32 C33 C34 118.0(7) . .
C34 C33 H33 121.0 . .
N2 C34 C33 124.2(7) . .
N2 C34 H34 117.9 . .
C33 C34 H34 117.9 . .
C28 C35 H35 119.7 . .
C36 C35 C28 120.6(7) . .
C36 C35 H35 119.7 . .
C31 C36 H36 119.1 . .
C35 C36 C31 121.8(7) . .
C35 C36 H36 119.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Gd1 O1 2.309(4) .
Gd1 O1 2.858(4) 2_566
Gd1 O2 2.436(4) 2_566
Gd1 O3 2.493(5) .
Gd1 O5 2.341(4) .
Gd1 O6 2.364(4) 2_566
Gd1 O7 2.414(4) 2_466
Gd1 N1 2.656(5) .
Gd1 N2 2.579(5) .
Gd1 C1 3.017(6) 2_566
Fe1 C2 2.018(6) .
Fe1 C3 2.027(6) .
Fe1 C4 2.054(6) .
Fe1 C5 2.050(6) .
Fe1 C6 2.036(7) .
Fe1 C8 2.025(6) .
Fe1 C9 2.024(6) .
Fe1 C10 2.059(7) .
Fe1 C11 2.051(7) .
Fe1 C12 2.038(6) .
Fe2 C14 2.017(6) .
Fe2 C15 2.034(6) .
Fe2 C16 2.063(7) .
Fe2 C17 2.041(7) .
Fe2 C18 2.024(6) .
Fe2 C20 2.019(6) .
Fe2 C21 2.025(8) .
Fe2 C22 2.040(8) .
Fe2 C23 2.041(8) .
Fe2 C24 2.029(7) .
O1 Gd1 2.858(4) 2_566
O1 C1 1.255(7) .
O2 Gd1 2.436(4) 2_566
O2 C1 1.254(7) .
O3 C7 1.233(7) .
O4 H4 0.8200 .
O4 C7 1.288(7) .
O5 C13 1.251(7) .
O6 Gd1 2.364(4) 2_566
O6 C13 1.254(7) .
O7 Gd1 2.414(4) 2_466
O7 C19 1.264(7) .
O8 C19 1.278(8) .
N1 C25 1.309(8) .
N1 C29 1.361(8) .
N2 C30 1.357(8) .
N2 C34 1.313(8) .
C1 Gd1 3.017(6) 2_566
C1 C2 1.480(8) .
C2 C3 1.423(8) .
C2 C6 1.433(8) .
C3 H3 0.9300 .
C3 C4 1.420(9) .
C4 H4A 0.9300 .
C4 C5 1.397(9) .
C5 H5 0.9300 .
C5 C6 1.418(9) .
C6 H6 0.9300 .
C7 C8 1.464(9) .
C8 C9 1.415(9) .
C8 C12 1.426(9) .
C9 H9 0.9300 .
C9 C10 1.408(10) .
C10 H10 0.9300 .
C10 C11 1.424(10) .
C11 H11 0.9300 .
C11 C12 1.406(10) .
C12 H12 0.9300 .
C13 C14 1.483(8) .
C14 C15 1.421(9) .
C14 C18 1.437(8) .
C15 H15 0.9300 .
C15 C16 1.425(9) .
C16 H16 0.9300 .
C16 C17 1.386(10) .
C17 H17 0.9300 .
C17 C18 1.406(9) .
C18 H18 0.9300 .
C19 C20 1.464(9) .
C20 C21 1.409(9) .
C20 C24 1.425(10) .
C21 H21 0.9300 .
C21 C22 1.430(11) .
C22 H22 0.9300 .
C22 C23 1.391(12) .
C23 H23 0.9300 .
C23 C24 1.391(10) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C25 C26 1.394(10) .
C26 H26 0.9300 .
C26 C27 1.361(11) .
C27 H27 0.9300 .
C27 C28 1.400(11) .
C28 C29 1.391(9) .
C28 C35 1.436(11) .
C29 C30 1.438(9) .
C30 C31 1.412(8) .
C31 C32 1.393(10) .
C31 C36 1.414(10) .
C32 H32 0.9300 .
C32 C33 1.359(10) .
C33 H33 0.9300 .
C33 C34 1.389(9) .
C34 H34 0.9300 .
C35 H35 0.9300 .
C35 C36 1.343(12) .
C36 H36 0.9300 .
