# Supplementary Information (SI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2025

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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#######################################################################

data_Gd14
_database_code_depnum_ccdc_archive 'CCDC 2403575'
loop_
_audit_author_name
_audit_author_address
'Wen-Bin Sun'
;Heilongjiang University
China
;
_audit_update_record             
;
2024-11-18 deposited with the CCDC.	2025-01-13 downloaded from the CCDC.
;
_audit_creation_date             2024-07-25
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C120 H186 Gd14 O66, C6 H14'
_chemical_formula_sum            'C126 H200 Gd14 O66'
_chemical_formula_weight         4972.35
_chemical_melting_point          ?
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'
Gd Gd -0.1653 3.9035 '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'

_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.
;
_space_group_crystal_system      tetragonal
_space_group_IT_number           139
_space_group_name_H-M_alt        'I 4/m m m'
_space_group_name_Hall           '-I 4 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x, z'
'-x, -y, z'
'y, -x, z'
'x, -y, -z'
'y, x, -z'
'-x, y, -z'
'-y, -x, -z'
'x+1/2, y+1/2, z+1/2'
'-y+1/2, x+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-y+1/2, -x+1/2, -z+1/2'
'-x, -y, -z'
'y, -x, -z'
'x, y, -z'
'-y, x, -z'
'-x, y, z'
'-y, -x, z'
'x, -y, z'
'y, x, z'
'-x+1/2, -y+1/2, -z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'-y+1/2, x+1/2, -z+1/2'
'-x+1/2, y+1/2, z+1/2'
'-y+1/2, -x+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'y+1/2, x+1/2, z+1/2'

_cell_length_a                   21.2689(14)
_cell_length_b                   21.2689(14)
_cell_length_c                   21.2497(15)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9612.6(14)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9851
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.09
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.644
_shelx_estimated_absorpt_T_min   0.644
_exptl_absorpt_coefficient_mu    4.825
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5313
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0789 before and 0.0621 after correction.
The Ratio of minimum to maximum transmission is 0.7127.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     .
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.718
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4760
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_Laue_measured_fraction_full 0.964
_diffrn_reflns_Laue_measured_fraction_max 0.964
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            29580
_diffrn_reflns_point_group_measured_fraction_full 0.964
_diffrn_reflns_point_group_measured_fraction_max 0.964
_diffrn_reflns_theta_full        24.394
_diffrn_reflns_theta_max         24.394
_diffrn_reflns_theta_min         2.346
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1761
_reflns_number_total             2167
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.221
_refine_diff_density_min         -2.321
_refine_diff_density_rms         0.207
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     252
_refine_ls_number_reflns         2167
_refine_ls_number_restraints     200
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0442
_refine_ls_restrained_S_all      1.091
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+366.7676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.0984
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 C8-O7B
 1.4 with sigma of 0.1
 C7-C12
 1.4 with sigma of 0.1
 C11-C9
 1.4 with sigma of 0.02
 C10-C11
 1.4 with sigma of 0.02
 C10-C6
 1.4 with sigma of 0.02
 C14-C10
 2.3 with sigma of 0.02
 C14-C6
 1.4 with sigma of 0.02
 C8-C7
 1.505 with sigma of 0.02
 C13-C12
 1.505 with sigma of 0.02
 C11-C10
 1.505 with sigma of 0.02
 C6-C10
 1.505 with sigma of 0.02
 C6-C14
 1.505 with sigma of 0.02
 C9-C8
 1.505 with sigma of 0.02
 C4-C2
 1.505 with sigma of 0.02
 C4-C1
 1.505 with sigma of 0.02
 C5-C1
 1.505 with sigma of 0.02
 C3-C2
 1.505 with sigma of 0.02
 C9-C11
 1.505 with sigma of 0.02
 C9A-C8
 1.505 with sigma of 0.02
 O6-C6
 1.25 with sigma of 0.02
 O1-Gd1
 2.642 with sigma of 0.0001
 O1-O1A
 0.544 with sigma of 0.0001
 O1-Gd2
 2.651 with sigma of 0.001
 C15-C16 = C16-C17 = C17-C18 = C18-C19 = C19-C1A
 1.52 with sigma of 0.02
 C1A-C17
 3.564 with sigma of 0.0001
 C1A-C18
 2.543 with sigma of 0.0001
 C16-C1A
 4.362 with sigma of 0.001
 C16-C18
 2.545 with sigma of 0.0001
 C15-C17 = C18-C1A
 2.53 with sigma of 0.04
 C16-C18 = C17-C19
 2.54 with sigma of 0.04
 C8-C9 \\sim C8-C9A
 with sigma of 0.02
 C9-C11 \\sim C9A-C11
 with sigma of 0.02
 C15-C16 \\sim C16-C17 \\sim C17-C18 \\sim C18-C19 \\sim C19-C1A
 with sigma of 0.02
 C15-C17 \\sim C17-C19 \\sim C16-C18 \\sim C18-C1A
 with sigma of 0.04
3. Uiso/Uaniso restraints and constraints
C15 \\sim C16 \\sim C17 \\sim C18 \\sim C19 \\sim C1A: within 2A with sigma of
0.04 and sigma for terminal atoms of 0.08 within 2A
O7A \\sim O7B: within 3A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 3A
Uanis(C4) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C11) \\sim Ueq: with sigma of 0.05 and sigma for terminal atoms of 0.1
Uanis(C6) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C19) \\sim Ueq, Uanis(C15) \\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C17)
\\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C1A) \\sim Ueq: with sigma of 0.001 and
sigma for terminal atoms of 0.002
Uanis(O7A) \\sim Ueq, Uanis(O7B) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(O1A) = Uanis(O1)
4. Rigid body (RIGU) restrains
 C9, C11, C6, C10, C14
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.002
 C15, C16, C17, C18, C19, C1A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
5. Others
 Fixed Sof: H5(0.125) O7B(0.5) H5A(0.5) H5B(0.5) H5C(0.5) C6(0.5) H13B(0.5)
 H13C(0.5) H13A(0.5) C2(0.5) H3A(0.5) H3B(0.5) H3C(0.5) C4(0.5) H4(0.5) C7(0.5)
 H7(0.5) C8(0.5) C9(0.5) H9A(0.5) H9B(0.5) H9C(0.5) C10(0.5) H10(0.5) C11(0.5)
 C14(0.5) H14A(0.5) H14B(0.5) H14C(0.5) C9A(0.5) H9AA(0.5) H9AB(0.5) H9AC(0.5)
 O1A(0.45) H1A(0.45) O1(0.05) H1(0.05) C15(0.0625) H15A(0.0625) H15B(0.0625)
 H15C(0.0625) C16(0.0625) H16A(0.0625) H16B(0.0625) C17(0.0625) H17A(0.0625)
 H17B(0.0625) C18(0.0625) H18A(0.0625) H18B(0.0625) C19(0.0625) H19B(0.0625)
 H19A(0.0625) C1A(0.0625) H1AB(0.0625) H1AC(0.0625) H1AA(0.0625) O7A(0.5)
6.a Riding coordinates:
 O2(H2), O5(H5), C5(H5A,H5B,H5C), O1A(H1A), O1(H1), C15(H15A,H15B,H15C),
 C16(H16A,H16B), C18(H18A,H18B), C1A(H1AB,H1AC,H1AA)
6.b Secondary CH2 refined with riding coordinates:
 C17(H17A,H17B), C19(H19B,H19A)
6.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C7(H7), C10(H10)
6.d Idealised Me refined as rotating group:
 C13(H13B,H13C,H13A), C3(H3A,H3B,H3C), C9(H9A,H9B,H9C), C14(H14A,H14B,H14C),
 C9A(H9AA,H9AB,H9AC)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.500000 0.500000 0.36976(5) 0.0288(3) Uani 1 8 d DS T P A .
Gd2 Gd 0.59382(3) 0.40618(3) 0.500000 0.0322(3) Uani 1 4 d DS T P . .
Gd3 Gd 0.62000(3) 0.500000 0.23827(3) 0.0422(2) Uani 1 2 d S T P . .
O2 O 0.5679(3) 0.4321(3) 0.3057(4) 0.034(2) Uani 1 2 d S T P A .
H2 H 0.587313 0.412690 0.334797 0.051 Uiso 1 2 d R U P . .
O3 O 0.7045(5) 0.4041(5) 0.500000 0.050(3) Uani 1 2 d S T P D .
O4 O 0.6297(3) 0.3703(3) 0.3983(4) 0.045(2) Uani 1 2 d S T P . .
O5 O 0.500000 0.500000 0.2230(8) 0.041(5) Uani 1 8 d S T P A .
H5 H 0.521480 0.478520 0.249000 0.062 Uiso 0.25 2 d R U P . .
O6 O 0.5785(4) 0.4215(4) 0.1637(4) 0.058(3) Uani 1 2 d DS T P A .
O7B O 0.699(2) 0.4390(17) 0.2011(16) 0.059(6) Uani 0.5 1 d D U P A -1
O8 O 0.6893(5) 0.500000 0.3237(4) 0.054(3) Uani 1 2 d S T P A .
C1 C 0.6693(6) 0.3307(6) 0.3839(6) 0.077(6) Uani 1 2 d DS T P . .
C5 C 0.6861(7) 0.3139(7) 0.3194(7) 0.115(9) Uani 1 2 d DS T P . .
H5A H 0.648625 0.305200 0.295859 0.172 Uiso 0.5 1 d R U P B -1
H5B H 0.712215 0.276680 0.319699 0.172 Uiso 0.5 1 d R U P B -1
H5C H 0.708655 0.347730 0.300379 0.172 Uiso 0.5 1 d R U P B -1
C6 C 0.6141(9) 0.4004(10) 0.1180(7) 0.063(5) Uani 0.5 1 d D U P A -2
C12 C 0.7469(9) 0.500000 0.3270(8) 0.106(9) Uani 1 2 d DS T P . .
C13 C 0.7792(8) 0.500000 0.3879(8) 0.085(6) Uani 1 2 d DS T P A .
H13B H 0.753722 0.478636 0.418478 0.127 Uiso 0.5 1 calc R U P C -1
H13C H 0.786147 0.542555 0.401265 0.127 Uiso 0.5 1 calc R U P C -1
H13A H 0.818837 0.478809 0.383911 0.127 Uiso 0.5 1 calc R U P C -1
C2 C 0.7424(9) 0.3687(11) 0.4751(8) 0.058(6) Uani 0.5 1 d D . P D -1
C3 C 0.8069(8) 0.3603(13) 0.500000 0.112(9) Uani 1 2 d DS T P . .
H3A H 0.822182 0.399723 0.515755 0.167 Uiso 0.5 1 calc R U P D -1
H3B H 0.833957 0.345727 0.466940 0.167 Uiso 0.5 1 calc R U P D -1
H3C H 0.806243 0.329967 0.533456 0.167 Uiso 0.5 1 calc R U P D -1
C4 C 0.7315(9) 0.3314(10) 0.4182(9) 0.061(6) Uani 0.5 1 d D U P D -1
H4 H 0.764348 0.307109 0.402555 0.073 Uiso 0.5 1 calc R U P D -1
C7 C 0.7818(10) 0.4542(11) 0.2840(11) 0.068(7) Uani 0.5 1 d D . P A -1
H7 H 0.822386 0.442820 0.295645 0.082 Uiso 0.5 1 calc R U P A -1
C8 C 0.7566(12) 0.4265(12) 0.2256(10) 0.073(8) Uani 0.5 1 d D . P A -1
C9 C 0.7801(13) 0.379(2) 0.153(2) 0.117(16) Uani 0.5 1 d D . P A -2
H9A H 0.792998 0.358573 0.191051 0.175 Uiso 0.5 1 calc R U P A -2
H9B H 0.808999 0.411829 0.142627 0.175 Uiso 0.5 1 calc R U P A -2
H9C H 0.779542 0.348436 0.119230 0.175 Uiso 0.5 1 calc R U P A -2
C10 C 0.6761(9) 0.3727(11) 0.1187(11) 0.089(6) Uani 0.5 1 d D . P A -2
H10 H 0.687701 0.338070 0.094578 0.107 Uiso 0.5 1 calc R U P A -2
C11 C 0.7176(10) 0.4048(12) 0.1608(11) 0.074(6) Uani 0.5 1 d D U P A -2
C14 C 0.6287(14) 0.4484(10) 0.0697(9) 0.098(7) Uani 0.5 1 d D . P A -2
H14A H 0.590345 0.467553 0.055523 0.146 Uiso 0.5 1 calc R U P A -2
H14B H 0.649505 0.428764 0.034811 0.146 Uiso 0.5 1 calc R U P A -2
H14C H 0.655572 0.479927 0.087568 0.146 Uiso 0.5 1 calc R U P A -2
C9A C 0.8019(13) 0.392(2) 0.1837(16) 0.100(13) Uani 0.5 1 d D . P A -1
H9AA H 0.809407 0.415689 0.146255 0.150 Uiso 0.5 1 calc R U P A -1
H9AB H 0.784301 0.351548 0.172516 0.150 Uiso 0.5 1 calc R U P A -1
H9AC H 0.840868 0.385289 0.205629 0.150 Uiso 0.5 1 calc R U P A -1
O1A O 0.5919(4) 0.500000 0.4353(3) 0.026(2) Uani 0.9 2 d S T P A 1
H1A H 0.625118 0.519040 0.423789 0.039 Uiso 0.45 1 d R U P A 1
O1 O 0.61351(4) 0.500000 0.42027(7) 0.026(2) Uani 0.1 2 d DS T P A 2
H1 H 0.642097 0.527660 0.424067 0.039 Uiso 0.05 1 d R U P A 2
C15 C 1.016(7) 0.489(6) 0.204(4) 0.108(15) Uani 0.0625 1 d D U P E -1
H15A H 1.010231 0.446548 0.216927 0.162 Uiso 0.0625 1 d R U P E -1
H15B H 1.015171 0.516268 0.240267 0.162 Uiso 0.0625 1 d R U P E -1
H15C H 1.055031 0.493838 0.182397 0.162 Uiso 0.0625 1 d R U P E -1
C16 C 0.9715(3) 0.5179(18) 0.15566(15) 0.108(14) Uani 0.0625 1 d D U P E -1
H16A H 0.984557 0.560571 0.145999 0.129 Uiso 0.0625 1 d R U P E -1
H16B H 0.930027 0.520071 0.174479 0.129 Uiso 0.0625 1 d R U P E -1
C17 C 0.96732(19) 0.4810(10) 0.0948(4) 0.108(13) Uani 0.0625 1 d D U P E -1
H17A H 0.942700 0.443374 0.102140 0.130 Uiso 0.0625 1 calc R U P E -1
H17B H 1.009299 0.467959 0.082624 0.130 Uiso 0.0625 1 calc R U P E -1
C18 C 0.93814(14) 0.5172(12) 0.04065(13) 0.108(13) Uani 0.0625 1 d D U P E -1
H18A H 0.919975 0.555750 0.057002 0.130 Uiso 0.0625 1 d R U P E -1
H18B H 0.971165 0.528890 0.011402 0.130 Uiso 0.0625 1 d R U P E -1
C19 C 0.8875(7) 0.482(2) 0.005(2) 0.108(14) Uani 0.0625 1 d D U P E -1
H19B H 0.888730 0.437897 0.018190 0.130 Uiso 0.0625 1 calc R U P E -1
H19A H 0.896742 0.483297 -0.039265 0.130 Uiso 0.0625 1 calc R U P E -1
C1A C 0.82160(12) 0.5067(9) 0.0160(3) 0.108(15) Uani 0.0625 1 d D U P E -1
H1AB H 0.827671 0.548944 0.030810 0.162 Uiso 0.0625 1 d R U P E -1
H1AC H 0.797751 0.483384 0.046480 0.162 Uiso 0.0625 1 d R U P E -1
H1AA H 0.799261 0.507554 -0.023200 0.162 Uiso 0.0625 1 d R U P E -1
O7A O 0.703(2) 0.4278(16) 0.2130(15) 0.056(5) Uani 0.5 1 d . U P A -2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Gd1 O2 2.455(8) 4_565 ?
Gd1 O2 2.455(8) 3_665 ?
Gd1 O2 2.455(8) . ?
Gd1 O2 2.455(8) 2_655 ?
Gd1 O1A 2.401(8) 2_655 ?
Gd1 O1A 2.401(8) . ?
Gd1 O1A 2.401(8) 3_665 ?
Gd1 O1A 2.401(8) 4_565 ?
Gd1 O1 2.64203(18) 2_655 ?
Gd1 O1 2.64200(18) . ?
Gd1 O1 2.64203(18) 3_665 ?
Gd1 O1 2.64203(18) 4_565 ?
Gd2 O3 2.354(10) . ?
Gd2 O3 2.354(10) 22_665 ?
Gd2 O4 2.417(8) . ?
Gd2 O4 2.417(8) 19_556 ?
Gd2 O1A 2.423(4) 4_565 ?
Gd2 O1A 2.423(4) 19_556 ?
Gd2 O1A 2.423(4) 18_566 ?
Gd2 O1A 2.423(4) . ?
Gd2 H1A 2.365(5) 23_565 ?
Gd2 O1 2.6509(11) 18_566 ?
Gd2 O1 2.6509(11) 4_565 ?
Gd2 O1 2.6509(11) 19_556 ?
Gd2 O1 2.6510(11) . ?
Gd2 H1 2.3744(13) 23_565 ?
Gd3 Gd3 3.6095(11) 4_565 ?
Gd3 Gd3 3.6095(11) 2_655 ?
Gd3 O2 2.317(5) 2_655 ?
Gd3 O2 2.317(5) . ?
Gd3 O5 2.573(2) . ?
Gd3 H5 2.1568 . ?
Gd3 H5 2.157(2) 2_655 ?
Gd3 O6 2.465(6) 2_655 ?
Gd3 O6 2.465(6) . ?
Gd3 O7B 2.27(4) . ?
Gd3 O8 2.340(10) . ?
Gd3 O7A 2.39(4) . ?
O2 H2 0.8498 . ?
O3 C2 1.22(2) . ?
O4 C1 1.230(18) . ?
O5 H5 0.8500 4_565 ?
O5 H5 0.8500 2_655 ?
O5 H5 0.8501 . ?
O5 H5 0.8500 3_665 ?
O6 C6 1.309(13) . ?
O7B C8 1.35(5) . ?
O8 C12 1.226(19) . ?
C1 C5 1.461(15) . ?
C1 C4 1.510(16) . ?
C5 H5A 0.9601 . ?
C5 H5B 0.9657 . ?
C5 H5C 0.9552 . ?
C6 C10 1.446(13) . ?
C6 C14 1.480(14) . ?
C12 C13 1.465(16) . ?
C12 C7 1.53(2) . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C13 H13A 0.9600 . ?
C2 C3 1.480(16) . ?
C2 C4 1.464(17) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4 0.9300 . ?
C7 H7 0.9300 . ?
C7 C8 1.474(18) . ?
C8 C9A 1.508(18) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C9 C11 1.450(14) . ?
C10 H10 0.9300 . ?
C10 C11 1.430(14) . ?
C11 O7A 1.25(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C9A H9AA 0.9600 . ?
C9A H9AB 0.9600 . ?
C9A H9AC 0.9600 . ?
O1A H1A 0.8502 . ?
O1A H1A 0.8503 23_565 ?
O1A H1 1.242(7) 23_565 ?
O1 H1 0.8499 . ?
O1 H1 0.8498 23_565 ?
C15 H15A 0.9603 . ?
C15 H15B 0.9598 . ?
C15 H15C 0.9598 . ?
C15 C16 1.516(14) . ?
C16 H16A 0.9705 . ?
C16 H16B 0.9701 . ?
C16 C17 1.516(14) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 C18 1.517(12) . ?
C18 H18A 0.9697 . ?
C18 H18B 0.9701 . ?
C18 C19 1.515(14) . ?
C19 H19B 0.9700 . ?
C19 H19A 0.9700 . ?
C19 C1A 1.516(14) . ?
C1A H1AB 0.9600 . ?
C1A H1AC 0.9603 . ?
C1A H1AA 0.9599 . ?

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
O2 Gd1 O2 72.10(18) 4_565 3_665 ?
O2 Gd1 O2 72.10(18) 3_665 2_655 ?
O2 Gd1 O2 112.7(4) 4_565 2_655 ?
O2 Gd1 O2 112.7(4) 3_665 . ?
O2 Gd1 O2 72.10(18) 4_565 . ?
O2 Gd1 O2 72.10(18) 2_655 . ?
O2 Gd1 O1 139.73(2) . 2_655 ?
O2 Gd1 O1 71.79(14) 4_565 3_665 ?
O2 Gd1 O1 71.79(14) . . ?
O2 Gd1 O1 139.73(2) 3_665 4_565 ?
O2 Gd1 O1 139.73(2) 2_655 4_565 ?
O2 Gd1 O1 71.79(14) . 4_565 ?
O2 Gd1 O1 139.73(2) 4_565 . ?
O2 Gd1 O1 71.79(14) 2_655 2_655 ?
O2 Gd1 O1 139.73(2) 3_665 . ?
O2 Gd1 O1 139.73(2) . 3_665 ?
O2 Gd1 O1 71.79(14) 2_655 . ?
O2 Gd1 O1 71.79(14) 3_665 3_665 ?
O2 Gd1 O1 139.73(2) 4_565 2_655 ?
O2 Gd1 O1 71.79(14) 4_565 4_565 ?
O2 Gd1 O1 71.79(14) 3_665 2_655 ?
O2 Gd1 O1 139.726(19) 2_655 3_665 ?
O1A Gd1 O2 80.9(2) 4_565 . ?
O1A Gd1 O2 80.9(2) 4_565 4_565 ?
O1A Gd1 O2 143.23(6) . 4_565 ?
O1A Gd1 O2 143.23(6) 4_565 3_665 ?
O1A Gd1 O2 80.9(2) 3_665 4_565 ?
O1A Gd1 O2 143.23(6) 4_565 2_655 ?
O1A Gd1 O2 80.9(2) 2_655 3_665 ?
O1A Gd1 O2 143.23(6) 3_665 . ?
O1A Gd1 O2 80.9(2) 2_655 2_655 ?
O1A Gd1 O2 143.23(6) . 3_665 ?
O1A Gd1 O2 143.23(6) 3_665 2_655 ?
O1A Gd1 O2 80.9(2) . 2_655 ?
O1A Gd1 O2 143.23(6) 2_655 . ?
O1A Gd1 O2 143.23(6) 2_655 4_565 ?
O1A Gd1 O2 80.9(2) 3_665 3_665 ?
O1A Gd1 O2 80.9(2) . . ?
O1A Gd1 O1A 70.31(18) 4_565 . ?
O1A Gd1 O1A 70.31(18) 2_655 3_665 ?
O1A Gd1 O1A 109.0(4) 3_665 . ?
O1A Gd1 O1A 70.31(18) 2_655 . ?
O1A Gd1 O1A 70.31(18) 4_565 3_665 ?
O1A Gd1 O1A 109.0(4) 2_655 4_565 ?
O1A Gd1 O1 76.36(7) 3_665 2_655 ?
O1A Gd1 O1 76.36(7) 3_665 4_565 ?
O1A Gd1 O1 11.51(18) 2_655 2_655 ?
O1A Gd1 O1 76.36(7) 2_655 3_665 ?
O1A Gd1 O1 120.55(19) . 3_665 ?
O1A Gd1 O1 11.51(18) 3_665 3_665 ?
O1A Gd1 O1 120.55(19) 2_655 4_565 ?
O1A Gd1 O1 76.36(7) . 4_565 ?
O1A Gd1 O1 76.36(7) 4_565 3_665 ?
O1A Gd1 O1 76.36(7) . 2_655 ?
O1A Gd1 O1 11.51(18) 4_565 4_565 ?
O1A Gd1 O1 120.55(19) 4_565 2_655 ?
O1 Gd1 O1 80.50(3) . 2_655 ?
O3 Gd2 O3 87.8(5) . 22_665 ?
O3 Gd2 O4 71.22(18) . 19_556 ?
O3 Gd2 O4 71.22(18) . . ?
O3 Gd2 O4 71.22(18) 22_665 . ?
O3 Gd2 O4 71.22(18) 22_665 19_556 ?
O3 Gd2 O1A 91.9(3) 22_665 4_565 ?
O3 Gd2 O1A 91.8(3) . . ?
O3 Gd2 O1A 145.45(14) . 4_565 ?
O3 Gd2 O1A 145.45(14) 22_665 19_556 ?
O3 Gd2 O1A 91.9(3) . 19_556 ?
O3 Gd2 O1A 145.45(14) . 18_566 ?
O3 Gd2 O1A 91.9(3) 22_665 18_566 ?
O3 Gd2 O1A 145.45(14) 22_665 . ?
O3 Gd2 H1A 131.83(16) 22_665 23_565 ?
O3 Gd2 H1A 74.4(3) . 23_565 ?
O3 Gd2 O1 138.55(8) . 4_565 ?
O3 Gd2 O1 81.7(2) . 19_556 ?
O3 Gd2 O1 138.55(8) 22_665 . ?
O3 Gd2 O1 81.7(2) 22_665 4_565 ?
O3 Gd2 O1 81.7(2) 22_665 18_566 ?
O3 Gd2 O1 138.55(8) 22_665 19_556 ?
O3 Gd2 O1 81.7(2) . . ?
O3 Gd2 O1 138.55(8) . 18_566 ?
O3 Gd2 H1 65.09(18) . 23_565 ?
O3 Gd2 H1 125.76(16) 22_665 23_565 ?
O4 Gd2 O4 126.9(4) . 19_556 ?
O4 Gd2 O1A 76.0(2) 19_556 19_556 ?
O4 Gd2 O1A 76.0(2) . . ?
O4 Gd2 O1A 76.0(2) . 4_565 ?
O4 Gd2 O1A 140.60(19) . 18_566 ?
O4 Gd2 O1A 140.60(19) . 19_556 ?
O4 Gd2 O1A 76.0(2) 19_556 18_566 ?
O4 Gd2 O1A 140.60(19) 19_556 . ?
O4 Gd2 O1A 140.60(19) 19_556 4_565 ?
O4 Gd2 H1A 137.4(2) 19_556 23_565 ?
O4 Gd2 H1A 60.73(18) . 23_565 ?
O4 Gd2 O1 139.44(3) 19_556 . ?
O4 Gd2 O1 67.43(16) 19_556 18_566 ?
O4 Gd2 O1 139.44(3) 19_556 4_565 ?
O4 Gd2 O1 139.44(3) . 18_566 ?
O4 Gd2 O1 67.43(16) . . ?
O4 Gd2 O1 139.44(3) . 19_556 ?
O4 Gd2 O1 67.43(16) . 4_565 ?
O4 Gd2 O1 67.43(16) 19_556 19_556 ?
O4 Gd2 H1 131.19(6) 19_556 23_565 ?
O4 Gd2 H1 56.13(11) . 23_565 ?
O1A Gd2 O1A 69.6(4) 19_556 18_566 ?
O1A Gd2 O1A 107.1(4) 4_565 19_556 ?
O1A Gd2 O1A 107.1(4) 18_566 . ?
O1A Gd2 O1A 69.6(4) 4_565 . ?
O1A Gd2 O1A 69.1(3) 19_556 . ?
O1A Gd2 O1A 69.1(3) 4_565 18_566 ?
O1A Gd2 H1A 80.7(3) 19_556 23_565 ?
O1A Gd2 H1A 127.5(4) 18_566 23_565 ?
O1A Gd2 H1A 20.41(4) . 23_565 ?
O1A Gd2 H1A 80.3(4) 4_565 23_565 ?
O1A Gd2 O1 75.83(19) . 4_565 ?
O1A Gd2 O1 75.83(19) 19_556 18_566 ?
O1A Gd2 O1 118.68(19) . 18_566 ?
O1A Gd2 O1 11.58(18) 19_556 19_556 ?
O1A Gd2 O1 11.58(19) 4_565 4_565 ?
O1A Gd2 O1 118.68(19) 19_556 4_565 ?
O1A Gd2 O1 11.58(19) 18_566 18_566 ?
O1A Gd2 O1 75.24(15) . 19_556 ?
O1A Gd2 O1 75.83(19) 18_566 19_556 ?
O1A Gd2 O1 75.24(15) 18_566 4_565 ?
O1A Gd2 O1 118.68(19) 4_565 19_556 ?
O1A Gd2 O1 75.24(15) 4_565 18_566 ?
O1A Gd2 H1 29.98(19) . 23_565 ?
O1A Gd2 H1 84.52(16) 19_556 23_565 ?
O1A Gd2 H1 137.02(19) 18_566 23_565 ?
O1A Gd2 H1 87.76(17) 4_565 23_565 ?
H1A Gd2 H1 9.8 23_565 23_565 ?
O1 Gd2 H1A 83.51(14) 19_556 23_565 ?
O1 Gd2 H1A 139.08(18) 18_566 23_565 ?
O1 Gd2 H1A 8.84(16) . 23_565 ?
O1 Gd2 H1A 83.1(2) 4_565 23_565 ?
O1 Gd2 O1 130.26(7) 18_566 . ?
O1 Gd2 O1 80.17(2) 4_565 . ?
O1 Gd2 O1 79.45(6) 19_556 . ?
O1 Gd2 H1 85.41(5) 19_556 23_565 ?
O1 Gd2 H1 148.59(7) 18_566 23_565 ?
O1 Gd2 H1 18.431(7) . 23_565 ?
O1 Gd2 H1 89.13(3) 4_565 23_565 ?
Gd1 Gd3 H5 42.8(4) . 2_655 ?
Gd1 Gd3 H5 42.8 . . ?
Gd3 Gd3 Gd1 61.519(10) 4_565 . ?
Gd3 Gd3 Gd1 61.519(9) 2_655 . ?
Gd3 Gd3 Gd3 90.0 4_565 2_655 ?
Gd3 Gd3 H5 57.5 2_655 . ?
Gd3 Gd3 H5 57.50(3) 4_565 2_655 ?
Gd3 Gd3 H5 33.20(7) 2_655 2_655 ?
Gd3 Gd3 H5 33.2 4_565 . ?
O2 Gd3 Gd1 38.8(2) . . ?
O2 Gd3 Gd1 38.8(2) 2_655 . ?
O2 Gd3 Gd3 95.9(2) . 2_655 ?
O2 Gd3 Gd3 95.9(2) 2_655 4_565 ?
O2 Gd3 Gd3 38.83(15) . 4_565 ?
O2 Gd3 Gd3 38.83(15) 2_655 2_655 ?
O2 Gd3 O2 77.2(4) 2_655 . ?
O2 Gd3 O5 66.7(3) . . ?
O2 Gd3 O5 66.7(3) 2_655 . ?
O2 Gd3 H5 66.6(4) . 2_655 ?
O2 Gd3 H5 66.6 2_655 . ?
O2 Gd3 H5 48.5(4) 2_655 2_655 ?
O2 Gd3 H5 48.5 . . ?
O2 Gd3 O6 78.7(2) 2_655 2_655 ?
O2 Gd3 O6 78.7(2) . . ?
O2 Gd3 O6 130.5(3) 2_655 . ?
O2 Gd3 O6 130.5(3) . 2_655 ?
O2 Gd3 O8 79.7(2) 2_655 . ?
O2 Gd3 O8 79.7(2) . . ?
O2 Gd3 O7A 95.1(9) . . ?
O2 Gd3 O7A 152.8(8) 2_655 . ?
O5 Gd3 Gd1 54.8(4) . . ?
O5 Gd3 Gd3 45.46(5) . 4_565 ?
O5 Gd3 Gd3 45.46(5) . 2_655 ?
O5 Gd3 H5 18.1 . . ?
O5 Gd3 H5 18.10(6) . 2_655 ?
H5 Gd3 H5 24.5 . 2_655 ?
O6 Gd3 Gd1 103.49(15) 2_655 . ?
O6 Gd3 Gd1 103.49(15) . . ?
O6 Gd3 Gd3 42.94(14) . 4_565 ?
O6 Gd3 Gd3 42.94(14) 2_655 2_655 ?
O6 Gd3 Gd3 103.1(3) 2_655 4_565 ?
O6 Gd3 Gd3 103.1(3) . 2_655 ?
O6 Gd3 O5 64.2(3) . . ?
O6 Gd3 O5 64.2(3) 2_655 . ?
O6 Gd3 H5 65.0 . . ?
O6 Gd3 H5 82.2 2_655 . ?
O6 Gd3 H5 65.0(4) 2_655 2_655 ?
O6 Gd3 H5 82.2(4) . 2_655 ?
O6 Gd3 O6 85.3(5) . 2_655 ?
O7B Gd3 Gd1 139.3(9) . . ?
O7B Gd3 Gd3 97.0(10) . 4_565 ?
O7B Gd3 Gd3 158.4(8) . 2_655 ?
O7B Gd3 O2 157.9(9) . 2_655 ?
O7B Gd3 O2 102.4(9) . . ?
O7B Gd3 O5 133.9(10) . . ?
O7B Gd3 H5 129.7 . . ?
O7B Gd3 H5 151.7(10) . 2_655 ?
O7B Gd3 O6 115.4(9) . 2_655 ?
O7B Gd3 O6 69.8(10) . . ?
O7B Gd3 O8 78.5(9) . . ?
O8 Gd3 Gd1 81.5(2) . . ?
O8 Gd3 Gd3 116.47(14) . 4_565 ?
O8 Gd3 Gd3 116.47(14) . 2_655 ?
O8 Gd3 O5 136.3(4) . . ?
O8 Gd3 H5 122.0 . . ?
O8 Gd3 H5 122.0(5) . 2_655 ?
O8 Gd3 O6 136.4(3) . . ?
O8 Gd3 O6 136.4(3) . 2_655 ?
O8 Gd3 O7A 73.3(9) . . ?
O7A Gd3 Gd1 131.3(8) . . ?
O7A Gd3 Gd3 93.7(10) . 4_565 ?
O7A Gd3 O5 134.4(10) . . ?
O7A Gd3 H5 126.9 . . ?
O7A Gd3 O6 123.6(8) . 2_655 ?
O7A Gd3 O6 71.5(9) . . ?
Gd1 O2 H2 99.7 . . ?
Gd3 O2 Gd1 104.9(3) . . ?
Gd3 O2 Gd1 104.9(3) 4_565 . ?
Gd3 O2 Gd3 102.3(3) . 4_565 ?
Gd3 O2 H2 121.4 . . ?
Gd3 O2 H2 121.4 4_565 . ?
C2 O3 Gd2 132.1(11) . . ?
C1 O4 Gd2 130.8(9) . . ?
Gd3 O5 Gd3 165.5(8) . 3_665 ?
Gd3 O5 Gd3 89.09(9) 2_655 3_665 ?
Gd3 O5 Gd3 165.5(8) 2_655 4_565 ?
Gd3 O5 Gd3 89.09(10) 4_565 3_665 ?
Gd3 O5 Gd3 89.09(10) . 4_565 ?
Gd3 O5 Gd3 89.09(9) . 2_655 ?
Gd3 O5 H5 52.0(3) 3_665 4_565 ?
Gd3 O5 H5 116.8(3) 4_565 3_665 ?
Gd3 O5 H5 116.8(3) . 3_665 ?
Gd3 O5 H5 52.0(3) 2_655 3_665 ?
Gd3 O5 H5 116.8(3) . 4_565 ?
Gd3 O5 H5 52.0 4_565 . ?
Gd3 O5 H5 116.8 2_655 . ?
Gd3 O5 H5 116.8(3) 4_565 2_655 ?
Gd3 O5 H5 52.0(3) 3_665 3_665 ?
Gd3 O5 H5 52.0 . . ?
Gd3 O5 H5 116.8(3) 2_655 4_565 ?
Gd3 O5 H5 116.8(3) 3_665 2_655 ?
Gd3 O5 H5 52.0(3) . 2_655 ?
Gd3 O5 H5 52.0(3) 2_655 2_655 ?
Gd3 O5 H5 52.0(3) 4_565 4_565 ?
Gd3 O5 H5 116.8 3_665 . ?
H5 O5 H5 65.0 2_655 3_665 ?
H5 O5 H5 65.0 3_665 4_565 ?
H5 O5 H5 65.0 . 2_655 ?
H5 O5 H5 98.9 . 3_665 ?
H5 O5 H5 98.9 2_655 4_565 ?
H5 O5 H5 65.0 . 4_565 ?
Gd3 O6 Gd3 94.1(3) 4_565 . ?
C6 O6 Gd3 120.1(11) . . ?
C6 O6 Gd3 138.2(11) . 4_565 ?
C8 O7B Gd3 130(2) . . ?
C12 O8 Gd3 132.3(10) . . ?
O4 C1 C5 124.5(15) . . ?
O4 C1 C4 118.3(12) . . ?
C5 C1 C4 104.0(13) . . ?
C1 C5 H5A 109.5 . . ?
C1 C5 H5B 109.6 . . ?
C1 C5 H5C 109.6 . . ?
H5A C5 H5B 108.9 . . ?
H5A C5 H5C 109.9 . . ?
H5B C5 H5C 109.4 . . ?
O6 C6 C10 131.3(17) . . ?
O6 C6 C14 113.5(16) . . ?
C10 C6 C14 95.5(13) . . ?
O8 C12 C13 121.2(16) . . ?
O8 C12 C7 116.8(13) . . ?
C13 C12 C7 107.5(14) . . ?
C12 C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
C12 C13 H13A 109.5 . . ?
H13B C13 H13C 109.5 . . ?
H13B C13 H13A 109.5 . . ?
H13C C13 H13A 109.5 . . ?
O3 C2 C3 122.0(16) . . ?
O3 C2 C4 125.9(16) . . ?
C4 C2 C3 112.1(16) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C4 H4 118.6 . . ?
C2 C4 C1 122.8(16) . . ?
C2 C4 H4 118.6 . . ?
C12 C7 H7 117.2 . . ?
C8 C7 C12 125.6(19) . . ?
C8 C7 H7 117.2 . . ?
O7B C8 C7 125(2) . . ?
O7B C8 C9A 116(2) . . ?
C7 C8 C9A 117(2) . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C9 H9A 109.5 . . ?
C11 C9 H9B 109.5 . . ?
C11 C9 H9C 109.5 . . ?
C6 C10 H10 124.0 . . ?
C11 C10 C6 112(2) . . ?
C11 C10 H10 124.0 . . ?
C10 C11 C9 108(2) . . ?
O7A C11 C9 119(3) . . ?
O7A C11 C10 126(3) . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C8 C9A H9AA 109.5 . . ?
C8 C9A H9AB 109.5 . . ?
C8 C9A H9AC 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
Gd1 O1A Gd2 110.0(2) . 2_655 ?
Gd1 O1A Gd2 110.0(2) . . ?
Gd1 O1A H1A 120.6 . . ?
Gd1 O1A H1A 120.58(15) . 23_565 ?
Gd1 O1A H1 126.0(4) . 23_565 ?
Gd2 O1A Gd2 110.9(3) 2_655 . ?
Gd2 O1A H1A 122.8 . . ?
Gd2 O1A H1A 75.97(18) . 23_565 ?
Gd2 O1A H1A 122.8(2) 2_655 23_565 ?
Gd2 O1A H1A 76.0 2_655 . ?
Gd2 O1A H1 119.0(5) 2_655 23_565 ?
Gd2 O1A H1 72.84(19) . 23_565 ?
H1A O1A H1A 56.9 . 23_565 ?
H1A O1A H1 57.1 . 23_565 ?
H1A O1A H1 5.7 23_565 23_565 ?
Gd1 O1 Gd2 96.62(4) . 2_655 ?
Gd1 O1 Gd2 96.62(4) . . ?
Gd1 O1 H1A 122.2(9) . 23_565 ?
Gd1 O1 H1 133.8 . . ?
Gd1 O1 H1 133.819(13) . 23_565 ?
Gd2 O1 Gd2 97.65(7) 2_655 . ?
Gd2 O1 H1A 128.1(9) 2_655 23_565 ?
Gd2 O1 H1A 49.2(9) . 23_565 ?
Gd2 O1 H1 62.1 2_655 . ?
Gd2 O1 H1 124.977(12) 2_655 23_565 ?
Gd2 O1 H1 62.05(3) . 23_565 ?
Gd2 O1 H1 125.0 . . ?
H1A O1 H1 14.9 23_565 23_565 ?
H1 O1 H1A 101.6 . 23_565 ?
H1 O1 H1 87.6 . 23_565 ?
H15A C15 H15B 109.4 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15A 120.0 . . ?
C16 C15 H15B 107.5 . . ?
C16 C15 H15C 100.3 . . ?
C15 C16 H16A 109.9 . . ?
C15 C16 H16B 107.6 . . ?
H16A C16 H16B 107.6 . . ?
C17 C16 C15 114(2) . . ?
C17 C16 H16A 108.7 . . ?
C17 C16 H16B 108.8 . . ?
C16 C17 H17A 108.7 . . ?
C16 C17 H17B 108.7 . . ?
C16 C17 C18 114.1(12) . . ?
H17A C17 H17B 107.6 . . ?
C18 C17 H17A 108.7 . . ?
C18 C17 H17B 108.7 . . ?
C17 C18 H18A 108.7 . . ?
C17 C18 H18B 108.6 . . ?
H18A C18 H18B 107.6 . . ?
C19 C18 C17 114(2) . . ?
C19 C18 H18A 108.4 . . ?
C19 C18 H18B 109.0 . . ?
C18 C19 H19B 108.7 . . ?
C18 C19 H19A 108.7 . . ?
C18 C19 C1A 114.1(13) . . ?
H19B C19 H19A 107.6 . . ?
C1A C19 H19B 108.7 . . ?
C1A C19 H19A 108.7 . . ?
C19 C1A H1AB 104.7 . . ?
C19 C1A H1AC 114.0 . . ?
C19 C1A H1AA 109.5 . . ?
H1AB C1A H1AC 109.5 . . ?
H1AB C1A H1AA 109.5 . . ?
H1AC C1A H1AA 109.5 . . ?
C11 O7A Gd3 130(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Gd2 O3 C2 C3 -155.6(14) . . . . ?
Gd2 O3 C2 C4 26(3) . . . . ?
Gd2 O4 C1 C5 180.000(3) . . . . ?
Gd2 O4 C1 C4 -45.4(12) . . . . ?
Gd3 O6 C6 C10 -87(3) 4_565 . . . ?
Gd3 O6 C6 C10 53(3) . . . . ?
Gd3 O6 C6 C14 -68.0(19) . . . . ?
Gd3 O6 C6 C14 151.4(15) 4_565 . . . ?
Gd3 O7B C8 C7 -3(5) . . . . ?
Gd3 O7B C8 C9A -171(3) . . . . ?
Gd3 O8 C12 C13 180.000(2) . . . . ?
Gd3 O8 C12 C7 -45.6(13) . . . . ?
O3 C2 C4 C1 -2(3) . . . . ?
O4 C1 C4 C2 12(2) . . . . ?
O6 C6 C10 C11 -42(3) . . . . ?
O8 C12 C7 C8 22(3) . . . . ?
C5 C1 C4 C2 154.8(18) . . . . ?
C6 C10 C11 C9 -173(3) . . . . ?
C6 C10 C11 O7A 37(4) . . . . ?
C12 C7 C8 O7B 2(4) . . . . ?
C12 C7 C8 C9A 169(3) . . . . ?
C13 C12 C7 C8 162(2) . . . . ?
C3 C2 C4 C1 179.0(18) . . . . ?
C9 C11 O7A Gd3 160(3) . . . . ?
C10 C11 O7A Gd3 -53(5) . . . . ?
C14 C6 C10 C11 86(2) . . . . ?
C15 C16 C17 C18 -164(9) . . . . ?
C16 C17 C18 C19 -131.8(14) . . . . ?
C17 C18 C19 C1A 109(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
