#------------------------------------------------------------------------------
#$Date: 2015-10-09 12:02:05 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161403 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/60/7036074.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_7036074
loop_
_publ_author_name
'Carter, Korey P.'
'Zulato, Cecília H F'
'Rodrigues, Emille M.'
'Pope, Simon J. A.'
'Sigoli, Fernando A.'
'Cahill, Christopher L.'
_publ_section_title
;
 Controlling dimensionality via a dual ligand strategy in
 Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15843
_journal_page_last               15854
_journal_paper_doi               10.1039/c5dt02596f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C48 H32 Gd2 N6 O14 S3'
_chemical_formula_weight         1327.47
_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_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
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2015-07-02 deposited with the CCDC.
2015-08-05 downloaded from the CCDC.
;
_cell_angle_alpha                110.286(5)
_cell_angle_beta                 99.753(4)
_cell_angle_gamma                98.966(5)
_cell_formula_units_Z            2
_cell_length_a                   9.998(6)
_cell_length_b                   14.333(6)
_cell_length_c                   18.542(7)
_cell_measurement_reflns_used    32952
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.890
_cell_measurement_theta_min      4.352
_cell_volume                     2389(2)
_computing_cell_refinement       'SAINT, Bruker-AXS'
_computing_data_collection       'APEX, Bruker-AXS'
_computing_data_reduction        'SAINT, Bruker-AXS'
_computing_molecular_graphics    'WINGX (Farrugia, 2012)'
_computing_publication_material  'Crystal Maker (Palmer, 2009)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR92 (Gualardi, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0343
_diffrn_reflns_av_unetI/netI     0.0414
_diffrn_reflns_laue_measured_fraction_full 1.000
_diffrn_reflns_laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            32946
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.500
_diffrn_reflns_theta_max         28.030
_diffrn_reflns_theta_min         1.557
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.958
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6804
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS, Bruker-AXS (2008)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.845
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1300
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.416
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     658
_refine_ls_number_reflns         11491
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0238P)²+2.6668P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0681
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9206
_reflns_number_total             11491
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt02596f2.cif
_cod_data_source_block           Compound_4
_cod_depositor_comments
'Adding full bibliography for 7036071--7036081.cif.'
_cod_database_code               7036074
_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.
;
_shelxl_version_number           2013-4
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
_atom_site_refinement_flags_adp
S1 S 0.64933(10) 0.21918(8) 0.67818(6) 0.0289(2) Uani 1 1 d . .
S2 S 1.14837(10) 0.20429(7) 0.17396(6) 0.0268(2) Uani 1 1 d . .
O3 O 0.5106(3) 0.23582(19) 0.81060(14) 0.0262(6) Uani 1 1 d . .
O6 O 1.0018(3) 0.2282(2) 0.30565(15) 0.0304(6) Uani 1 1 d . .
O4 O 0.6373(3) 0.38753(19) 0.89371(15) 0.0292(6) Uani 1 1 d . .
O5 O 1.1464(3) 0.3713(2) 0.39156(15) 0.0350(7) Uani 1 1 d . .
O7 O 0.4003(3) 0.2609(2) 1.04618(15) 0.0315(6) Uani 1 1 d . .
O8 O 0.2323(3) 0.1236(2) 1.02417(16) 0.0328(6) Uani 1 1 d . .
C37 C 1.1067(4) 0.3024(3) 0.3238(2) 0.0255(8) Uani 1 1 d . .
S3 S 0.24207(11) 0.43578(7) 0.71974(5) 0.0280(2) Uani 1 1 d . .
N4 N 0.7118(3) 0.1930(2) 0.36661(18) 0.0271(7) Uani 1 1 d . .
N2 N 0.4126(3) 0.1089(2) 0.89454(17) 0.0202(6) Uani 1 1 d . .
N1 N 0.2024(3) 0.1995(2) 0.86576(18) 0.0265(7) Uani 1 1 d . .
N5 N 0.9121(3) 0.0944(2) 0.39456(17) 0.0220(6) Uani 1 1 d . .
N3 N 0.6681(3) 0.2363(2) 0.96729(18) 0.0265(7) Uani 1 1 d . .
N6 N 1.1708(3) 0.2161(3) 0.4695(2) 0.0321(8) Uani 1 1 d . .
C20 C 0.6812(4) 0.3219(3) 0.7669(2) 0.0263(8) Uani 1 1 d . .
C38 C 1.1839(4) 0.3054(3) 0.2633(2) 0.0252(8) Uani 1 1 d . .
C42 C 0.3042(4) 0.2099(3) 1.0647(2) 0.0230(8) Uani 1 1 d . .
C41 C 0.2795(4) 0.2637(3) 1.1446(2) 0.0255(8) Uani 1 1 d . .
C21 C 0.6047(4) 0.3143(3) 0.8268(2) 0.0222(7) Uani 1 1 d . .
C17 C 0.7675(4) 0.2848(3) 0.6462(2) 0.0334(9) Uani 1 1 d . .
O2 O 0.7332(4) 0.1386(3) 0.52841(19) 0.0505(8) Uani 1 1 d . .
C16 C 0.7923(5) 0.2309(4) 0.5652(2) 0.0393(10) Uani 1 1 d . .
C19 C 0.7798(5) 0.4017(3) 0.7706(3) 0.0409(11) Uani 1 1 d . .
H19 H 0.8114 0.4634 0.8141 0.049 Uiso 1 1 calc R U
C40 C 0.3464(4) 0.3577(3) 1.2019(2) 0.0355(10) Uani 1 1 d . .
H40 H 0.4199 0.4013 1.1966 0.043 Uiso 1 1 calc R U
O12 O 0.3557(3) 0.39540(19) 0.86371(15) 0.0296(6) Uani 1 1 d . .
C48 C 1.1393(3) 0.5092(3) 0.6054(2) 0.0204(7) Uani 1 1 d . .
C6 C 0.2828(4) 0.0480(3) 0.8607(2) 0.0242(8) Uani 1 1 d . .
C43 C 0.3588(3) 0.4884(3) 0.8813(2) 0.0186(7) Uani 1 1 d . .
C26 C 0.6733(4) 0.0899(3) 0.3396(2) 0.0262(8) Uani 1 1 d . .
C11 C 0.6588(4) 0.1355(3) 0.9476(2) 0.0261(8) Uani 1 1 d . .
C27 C 0.7818(4) 0.0372(3) 0.3593(2) 0.0260(8) Uani 1 1 d . .
C31 C 1.0137(4) 0.0493(3) 0.4130(2) 0.0271(8) Uani 1 1 d . .
C5 C 0.1708(4) 0.0961(3) 0.8393(2) 0.0231(8) Uani 1 1 d . .
C44 C 0.2998(4) 0.5199(3) 0.8159(2) 0.0221(7) Uani 1 1 d . .
C32 C 1.1573(4) 0.1145(3) 0.4470(2) 0.0289(9) Uani 1 1 d . .
C7 C 0.2556(5) -0.0557(3) 0.8479(2) 0.0358(10) Uani 1 1 d . .
H7 H 0.1662 -0.0968 0.8238 0.043 Uiso 1 1 calc R U
C10 C 0.5170(4) 0.0678(3) 0.9146(2) 0.0267(8) Uani 1 1 d . .
C1 C 0.1013(4) 0.2448(3) 0.8479(3) 0.0375(10) Uani 1 1 d . .
H1 H 0.1222 0.3159 0.8667 0.045 Uiso 1 1 calc R U
C28 C 0.7493(5) -0.0677(3) 0.3418(3) 0.0389(10) Uani 1 1 d . .
H28 H 0.6591 -0.1067 0.3162 0.047 Uiso 1 1 calc R U
C46 C 0.2274(4) 0.6213(3) 0.7519(2) 0.0329(9) Uani 1 1 d . .
H46 H 0.2100 0.6813 0.7475 0.040 Uiso 1 1 calc R U
C47 C 0.1981(4) 0.5295(3) 0.6887(2) 0.0242(8) Uani 1 1 d . .
C22 C 0.6138(4) 0.2426(3) 0.3525(3) 0.0390(10) Uani 1 1 d . .
H22 H 0.6378 0.3137 0.3729 0.047 Uiso 1 1 calc R U
C4 C 0.0386(4) 0.0393(3) 0.7937(2) 0.0383(10) Uani 1 1 d . .
H4 H 0.0183 -0.0317 0.7755 0.046 Uiso 1 1 calc R U
C9 C 0.4947(5) -0.0347(3) 0.9051(3) 0.0423(11) Uani 1 1 d . .
H9 H 0.5680 -0.0613 0.9215 0.051 Uiso 1 1 calc R U
C2 C -0.0306(4) 0.1932(4) 0.8038(3) 0.0449(11) Uani 1 1 d . .
H2 H -0.0974 0.2282 0.7932 0.054 Uiso 1 1 calc R U
C25 C 0.5391(4) 0.0339(4) 0.2941(3) 0.0406(11) Uani 1 1 d . .
C15 C 0.7971(4) 0.2987(3) 0.9958(3) 0.0376(10) Uani 1 1 d . .
H15 H 0.8051 0.3686 1.0098 0.045 Uiso 1 1 calc R U
C8 C 0.3621(5) -0.0958(3) 0.8712(3) 0.0442(12) Uani 1 1 d . .
H8 H 0.3452 -0.1644 0.8642 0.053 Uiso 1 1 calc R U
C33 C 1.2737(5) 0.0734(4) 0.4545(3) 0.0455(12) Uani 1 1 d . .
H33 H 1.2633 0.0031 0.4386 0.055 Uiso 1 1 calc R U
C36 C 1.2995(4) 0.2772(4) 0.5003(3) 0.0465(12) Uani 1 1 d . .
H36 H 1.3086 0.3474 0.5165 0.056 Uiso 1 1 calc R U
C30 C 0.9864(5) -0.0544(3) 0.3993(3) 0.0381(10) Uani 1 1 d . .
H30 H 1.0573 -0.0837 0.4144 0.046 Uiso 1 1 calc R U
C3 C -0.0620(4) 0.0883(4) 0.7756(3) 0.0462(12) Uani 1 1 d . .
H3 H -0.1504 0.0508 0.7446 0.055 Uiso 1 1 calc R U
C39 C 1.2922(4) 0.3812(3) 0.2694(2) 0.0352(10) Uani 1 1 d . .
H39 H 1.3263 0.4419 0.3137 0.042 Uiso 1 1 calc R U
C45 C 0.2856(5) 0.6150(3) 0.8228(2) 0.0336(10) Uani 1 1 d . .
H45 H 0.3125 0.6709 0.8709 0.040 Uiso 1 1 calc R U
C35 C 1.4182(5) 0.2412(4) 0.5091(3) 0.0505(13) Uani 1 1 d . .
H35 H 1.5057 0.2859 0.5304 0.061 Uiso 1 1 calc R U
C29 C 0.8537(5) -0.1125(3) 0.3632(3) 0.0433(11) Uani 1 1 d . .
H29 H 0.8338 -0.1821 0.3532 0.052 Uiso 1 1 calc R U
C14 C 0.9174(5) 0.2640(4) 1.0053(3) 0.0471(12) Uani 1 1 d . .
H14 H 1.0041 0.3098 1.0251 0.057 Uiso 1 1 calc R U
C23 C 0.4782(4) 0.1930(4) 0.3088(3) 0.0484(12) Uani 1 1 d . .
H23 H 0.4130 0.2301 0.3000 0.058 Uiso 1 1 calc R U
C12 C 0.7782(5) 0.0962(4) 0.9558(3) 0.0439(11) Uani 1 1 d . .
H12 H 0.7693 0.0262 0.9414 0.053 Uiso 1 1 calc R U
O1 O 0.8662(4) 0.2853(3) 0.5414(2) 0.0771(13) Uani 1 1 d . U
O11 O 0.5956(3) 0.44363(19) 1.05046(14) 0.0277(6) Uani 1 1 d . .
O9 O 1.1120(3) 0.41887(19) 0.55655(14) 0.0301(6) Uani 1 1 d . .
O10 O 0.8763(3) 0.4156(2) 0.41283(16) 0.0323(6) Uani 1 1 d . .
OW1 O 0.2853(3) 0.4043(2) 1.01262(17) 0.0357(7) Uani 1 1 d . .
C34 C 1.4045(5) 0.1383(4) 0.4859(3) 0.0529(13) Uani 1 1 d . .
H34 H 1.4832 0.1118 0.4911 0.064 Uiso 1 1 calc R U
C24 C 0.4423(5) 0.0882(4) 0.2791(3) 0.0534(13) Uani 1 1 d . .
H24 H 0.3526 0.0535 0.2486 0.064 Uiso 1 1 calc R U
C18 C 0.8283(5) 0.3800(4) 0.7009(3) 0.0474(12) Uani 1 1 d . .
H18 H 0.8951 0.4262 0.6933 0.057 Uiso 1 1 calc R U
C13 C 0.9081(5) 0.1616(4) 0.9852(3) 0.0509(13) Uani 1 1 d . .
H13 H 0.9880 0.1367 0.9914 0.061 Uiso 1 1 calc R U
OW2 O 0.6337(7) 0.4586(4) 0.5222(4) 0.177(3) Uani 1 1 d . .
Gd2 Gd 0.96358(2) 0.29145(2) 0.44126(2) 0.01721(5) Uani 1 1 d . .
Gd1 Gd 0.45026(2) 0.30456(2) 0.94079(2) 0.01545(5) 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'
S S 0.1246 0.1234 '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'
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
C17 S1 C20 91.2(2) . .
C38 S2 C41 91.85(18) . 1_654
C21 O3 Gd1 93.1(2) . .
C37 O6 Gd2 92.4(2) . .
C21 O4 Gd1 92.4(2) . .
C37 O5 Gd2 93.0(2) . .
C42 O7 Gd1 141.9(2) . .
O5 C37 O6 121.7(3) . .
O5 C37 C38 119.4(3) . .
O6 C37 C38 118.8(3) . .
O5 C37 Gd2 60.88(19) . .
O6 C37 Gd2 60.88(18) . .
C38 C37 Gd2 177.9(3) . .
C44 S3 C47 91.95(17) . .
C22 N4 C26 117.5(3) . .
C22 N4 Gd2 120.8(3) . .
C26 N4 Gd2 121.7(2) . .
C10 N2 C6 118.9(3) . .
C10 N2 Gd1 120.0(2) . .
C6 N2 Gd1 120.2(2) . .
C1 N1 C5 117.7(3) . .
C1 N1 Gd1 120.9(3) . .
C5 N1 Gd1 121.3(2) . .
C27 N5 C31 119.1(3) . .
C27 N5 Gd2 120.8(2) . .
C31 N5 Gd2 119.7(2) . .
C11 N3 C15 117.4(3) . .
C11 N3 Gd1 120.9(2) . .
C15 N3 Gd1 121.5(3) . .
C36 N6 C32 118.4(3) . .
C36 N6 Gd2 119.7(3) . .
C32 N6 Gd2 121.5(3) . .
C19 C20 C21 129.0(4) . .
C19 C20 S1 111.6(3) . .
C21 C20 S1 119.5(3) . .
C39 C38 C37 127.5(4) . .
C39 C38 S2 111.3(3) . .
C37 C38 S2 121.1(3) . .
O8 C42 O7 127.0(3) . .
O8 C42 C41 118.1(3) . .
O7 C42 C41 114.9(3) . .
C40 C41 C42 130.0(3) . .
C40 C41 S2 111.1(3) . 1_456
C42 C41 S2 118.9(3) . 1_456
O3 C21 O4 121.9(3) . .
O3 C21 C20 119.7(3) . .
O4 C21 C20 118.4(3) . .
O3 C21 Gd1 60.72(18) . .
O4 C21 Gd1 61.29(18) . .
C20 C21 Gd1 177.7(3) . .
C18 C17 C16 129.9(4) . .
C18 C17 S1 112.0(3) . .
C16 C17 S1 118.1(3) . .
O1 C16 O2 126.7(4) . .
O1 C16 C17 115.2(4) . .
O2 C16 C17 118.0(4) . .
C20 C19 C18 112.2(4) . .
C41 C40 C39 112.8(4) . 1_456
C43 O12 Gd1 131.4(2) . .
O9 C48 O10 124.1(3) . 2_766
O9 C48 C47 118.0(3) . 1_655
O10 C48 C47 117.9(3) 2_766 1_655
N2 C6 C7 121.4(4) . .
N2 C6 C5 117.2(3) . .
C7 C6 C5 121.3(4) . .
O12 C43 O11 125.0(3) . 2_667
O12 C43 C44 117.2(3) . .
O11 C43 C44 117.8(3) 2_667 .
N4 C26 C25 122.8(4) . .
N4 C26 C27 116.4(3) . .
C25 C26 C27 120.7(4) . .
N3 C11 C12 121.5(4) . .
N3 C11 C10 116.8(3) . .
C12 C11 C10 121.7(4) . .
N5 C27 C28 121.6(4) . .
N5 C27 C26 117.3(3) . .
C28 C27 C26 121.1(4) . .
N5 C31 C30 121.7(4) . .
N5 C31 C32 117.0(3) . .
C30 C31 C32 121.2(3) . .
N1 C5 C4 120.9(4) . .
N1 C5 C6 116.8(3) . .
C4 C5 C6 122.3(4) . .
C45 C44 C43 126.8(3) . .
C45 C44 S3 111.0(3) . .
C43 C44 S3 122.3(3) . .
N6 C32 C33 121.0(4) . .
N6 C32 C31 116.9(3) . .
C33 C32 C31 122.1(4) . .
C8 C7 C6 119.0(4) . .
N2 C10 C9 121.9(4) . .
N2 C10 C11 117.4(3) . .
C9 C10 C11 120.7(4) . .
N1 C1 C2 124.1(4) . .
C29 C28 C27 118.7(4) . .
C47 C46 C45 112.6(3) . .
C46 C47 C48 127.1(3) . 1_455
C46 C47 S3 110.5(3) . .
C48 C47 S3 122.4(3) 1_455 .
N4 C22 C23 123.1(4) . .
C3 C4 C5 119.8(4) . .
C8 C9 C10 118.7(4) . .
C1 C2 C3 118.3(4) . .
C24 C25 C26 117.6(4) . .
N3 C15 C14 123.2(4) . .
C7 C8 C9 120.0(4) . .
C34 C33 C32 119.2(4) . .
N6 C36 C35 123.3(4) . .
C29 C30 C31 119.0(4) . .
C2 C3 C4 119.2(4) . .
C38 C39 C40 112.9(4) . 1_654
C44 C45 C46 113.9(4) . .
C34 C35 C36 118.3(5) . .
C30 C29 C28 119.8(4) . .
C13 C14 C15 119.4(4) . .
C24 C23 C22 118.6(4) . .
C13 C12 C11 119.8(4) . .
C16 O1 Gd2 145.7(3) . .
C43 O11 Gd1 161.4(2) 2_667 .
C48 O9 Gd2 147.5(2) . .
C48 O10 Gd2 164.4(3) 2_766 .
C35 C34 C33 119.8(4) . .
C23 C24 C25 120.2(4) . .
C17 C18 C19 113.0(4) . .
C14 C13 C12 118.6(4) . .
O1 Gd2 O10 101.25(14) . .
O1 Gd2 O9 74.24(12) . .
O10 Gd2 O9 88.62(10) . .
O1 Gd2 O6 156.15(12) . .
O10 Gd2 O6 88.01(10) . .
O9 Gd2 O6 128.42(9) . .
O1 Gd2 O5 150.70(11) . .
O10 Gd2 O5 75.86(10) . .
O9 Gd2 O5 76.53(10) . .
O6 Gd2 O5 52.82(9) . .
O1 Gd2 N6 99.42(15) . .
O10 Gd2 N6 149.51(11) . .
O9 Gd2 N6 75.72(10) . .
O6 Gd2 N6 81.91(10) . .
O5 Gd2 N6 75.13(11) . .
O1 Gd2 N4 78.21(13) . .
O10 Gd2 N4 79.28(10) . .
O9 Gd2 N4 147.04(10) . .
O6 Gd2 N4 82.07(10) . .
O5 Gd2 N4 128.37(10) . .
N6 Gd2 N4 127.09(11) . .
O1 Gd2 N5 84.91(13) . .
O10 Gd2 N5 140.08(10) . .
O9 Gd2 N5 130.44(9) . .
O6 Gd2 N5 74.24(9) . .
O5 Gd2 N5 116.36(9) . .
N6 Gd2 N5 63.87(10) . .
N4 Gd2 N5 63.27(10) . .
O1 Gd2 C37 175.46(13) . .
O10 Gd2 C37 81.26(10) . .
O9 Gd2 C37 102.16(11) . .
O6 Gd2 C37 26.72(10) . .
O5 Gd2 C37 26.10(9) . .
N6 Gd2 C37 76.84(11) . .
N4 Gd2 C37 106.06(11) . .
N5 Gd2 C37 95.60(10) . .
O11 Gd1 O7 78.72(10) . .
O11 Gd1 O12 99.53(9) . .
O7 Gd1 O12 136.45(9) . .
O11 Gd1 O3 123.38(9) . .
O7 Gd1 O3 143.05(9) . .
O12 Gd1 O3 73.69(9) . .
O11 Gd1 O4 72.16(9) . .
O7 Gd1 O4 144.59(9) . .
O12 Gd1 O4 69.48(10) . .
O3 Gd1 O4 52.48(8) . .
O11 Gd1 N1 148.09(10) . .
O7 Gd1 N1 85.01(10) . .
O12 Gd1 N1 73.97(10) . .
O3 Gd1 N1 85.48(10) . .
O4 Gd1 N1 130.04(10) . .
O11 Gd1 N3 78.14(10) . .
O7 Gd1 N3 83.24(10) . .
O12 Gd1 N3 139.60(10) . .
O3 Gd1 N3 74.49(9) . .
O4 Gd1 N3 71.56(10) . .
N1 Gd1 N3 127.17(10) . .
O11 Gd1 N2 134.25(9) . .
O7 Gd1 N2 72.96(9) . .
O12 Gd1 N2 125.73(9) . .
O3 Gd1 N2 70.82(9) . .
O4 Gd1 N2 114.61(9) . .
N1 Gd1 N2 63.65(9) . .
N3 Gd1 N2 63.64(10) . .
O11 Gd1 OW1 74.11(10) . .
O7 Gd1 OW1 66.15(9) . .
O12 Gd1 OW1 71.52(9) . .
O3 Gd1 OW1 143.34(9) . .
O4 Gd1 OW1 122.12(9) . .
N1 Gd1 OW1 74.23(10) . .
N3 Gd1 OW1 141.85(10) . .
N2 Gd1 OW1 122.71(9) . .
O11 Gd1 C21 98.07(11) . .
O7 Gd1 C21 154.88(10) . .
O12 Gd1 C21 68.65(10) . .
O3 Gd1 C21 26.15(9) . .
O4 Gd1 C21 26.35(9) . .
N1 Gd1 C21 107.87(11) . .
N3 Gd1 C21 71.76(10) . .
N2 Gd1 C21 93.12(10) . .
OW1 Gd1 C21 137.41(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 C17 1.706(4) .
S1 C20 1.723(4) .
S2 C38 1.716(4) .
S2 C41 1.719(4) 1_654
O3 C21 1.257(4) .
O3 Gd1 2.488(3) .
O6 C37 1.276(4) .
O6 Gd2 2.479(3) .
O4 C21 1.265(4) .
O4 Gd1 2.500(3) .
O5 C37 1.249(4) .
O5 Gd2 2.480(3) .
O7 C42 1.282(4) .
O7 Gd1 2.354(3) .
O8 C42 1.227(4) .
C37 C38 1.474(5) .
C37 Gd2 2.835(4) .
S3 C44 1.707(4) .
S3 C47 1.721(4) .
N4 C22 1.340(5) .
N4 C26 1.352(5) .
N4 Gd2 2.569(3) .
N2 C10 1.336(4) .
N2 C6 1.353(5) .
N2 Gd1 2.576(3) .
N1 C1 1.340(5) .
N1 C5 1.353(5) .
N1 Gd1 2.562(3) .
N5 C27 1.344(5) .
N5 C31 1.344(4) .
N5 Gd2 2.586(3) .
N3 C11 1.345(5) .
N3 C15 1.351(5) .
N3 Gd1 2.565(3) .
N6 C36 1.342(5) .
N6 C32 1.345(5) .
N6 Gd2 2.541(3) .
C20 C19 1.362(5) .
C20 C21 1.476(5) .
C38 C39 1.368(5) .
C42 C41 1.498(5) .
C41 C40 1.370(5) .
C41 S2 1.719(4) 1_456
C21 Gd1 2.848(4) .
C17 C18 1.354(6) .
C17 C16 1.514(6) .
O2 C16 1.247(5) .
C16 O1 1.233(5) .
C19 C18 1.407(6) .
C40 C39 1.403(5) 1_456
O12 C43 1.252(4) .
O12 Gd1 2.418(2) .
C48 O9 1.251(4) .
C48 O10 1.260(4) 2_766
C48 C47 1.464(5) 1_655
C6 C7 1.395(5) .
C6 C5 1.473(5) .
C43 O11 1.252(4) 2_667
C43 C44 1.497(5) .
C26 C25 1.402(5) .
C26 C27 1.481(5) .
C11 C12 1.404(5) .
C11 C10 1.480(5) .
C27 C28 1.395(5) .
C31 C30 1.392(5) .
C31 C32 1.483(5) .
C5 C4 1.391(5) .
C44 C45 1.356(5) .
C32 C33 1.391(5) .
C7 C8 1.363(6) .
C10 C9 1.395(5) .
C1 C2 1.366(6) .
C28 C29 1.380(6) .
C46 C47 1.373(5) .
C46 C45 1.385(5) .
C47 C48 1.464(5) 1_455
C22 C23 1.389(6) .
C4 C3 1.373(6) .
C9 C8 1.376(6) .
C2 C3 1.373(7) .
C25 C24 1.384(7) .
C15 C14 1.379(6) .
C33 C34 1.379(7) .
C36 C35 1.374(6) .
C30 C29 1.368(6) .
C39 C40 1.403(5) 1_654
C35 C34 1.362(7) .
C14 C13 1.367(7) .
C23 C24 1.371(7) .
C12 C13 1.375(7) .
O1 Gd2 2.259(3) .
O11 C43 1.252(4) 2_667
O11 Gd1 2.346(3) .
O9 Gd2 2.341(3) .
O10 C48 1.260(4) 2_766
O10 Gd2 2.277(3) .
OW1 Gd1 2.587(3) .
