# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2019

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1860178'
loop_
_audit_author_name
_audit_author_address
'Wen-Min Wang'
;Taiyuan Normal University
China
;
_audit_update_record             
;
2019-09-22 deposited with the CCDC.	2019-10-03 downloaded from the CCDC.
;
_audit_creation_date             2019-09-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H102 Gd6 N10 O30'
_chemical_formula_sum            'C72 H102 Gd6 N10 O30'
_chemical_formula_weight         2531.13
_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'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9049(6)
_cell_length_b                   14.4988(6)
_cell_length_c                   15.2214(7)
_cell_angle_alpha                93.079(2)
_cell_angle_beta                 106.093(2)
_cell_angle_gamma                106.8576(19)
_cell_volume                     2390.06(19)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8935
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.29
_cell_measurement_theta_min      2.64
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.178
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0911 before and 0.0631 after correction.
The Ratio of minimum to maximum transmission is 0.7636.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1228
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0957
_diffrn_reflns_av_unetI/netI     0.0735
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42084
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.189
_diffrn_ambient_temperature      149.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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                6767
_reflns_number_total             9421
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         2.224
_refine_diff_density_min         -1.212
_refine_diff_density_rms         0.184
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         9421
_refine_ls_number_restraints     52
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0420
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0457P)²+3.1371P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.1027
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 H9-H9_$1
 2.2 with sigma of 0.02
3. Rigid bond restraints
 O4, C15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O3, C9
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C35, O15
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C35 \\sim O15: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(O3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36B) \\sim Ueq, Uanis(C36A) \\sim Ueq, Uanis(C34B) \\sim Ueq,
Uanis(C34A) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36B) = Uanis(C36A) = Uanis(C34B) = Uanis(C34A)
5. Others
 Sof(C36A)=Sof(H36D)=Sof(H36E)=Sof(H36F)=Sof(C34A)=Sof(H34D)=Sof(H34E)=
 Sof(H34F)=1-FVAR(1)
 Sof(C36B)=Sof(H36A)=Sof(H36B)=Sof(H36C)=Sof(C34B)=Sof(H34A)=Sof(H34B)=
 Sof(H34C)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 N5(H5A,H5B), N4(H4A,H4B), C30(H30A,H30B), C15(H15A,H15B), C29(H29A,H29B),
 C33(H33A,H33B), C28(H28A,H28B), C32(H32A,H32B), C26(H26A,H26B)
6.b Aromatic/amide H refined with riding coordinates:
 N2(H2), C11(H11), C23(H23), C4(H4), C8(H8), C18(H18), C5(H5), C12(H12),
 C3(H3), C13(H13)
6.c Idealised Me refined as rotating group:
 C20(H20A,H20B,H20C), C1(H1A,H1B,H1C), C16(H16A,H16B,H16C), C21(H21A,H21B,
 H21C), C25(H25A,H25B,H25C), C36B(H36A,H36B,H36C), C34B(H34A,H34B,H34C),
 C36A(H36D,H36E,H36F), C34A(H34D,H34E,H34F)
6.d Idealised tetrahedral OH refined as rotating group:
 O9(H9), O12(H12A)
;
_atom_sites_solution_hydrogens   geom
_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
Gd2 Gd 0.50774(3) 0.48563(2) 0.86132(3) 0.01719(10) Uani 1 1 d . . . . .
Gd1 Gd 0.67138(3) 0.72267(2) 1.05297(3) 0.01777(10) Uani 1 1 d . . . . .
Gd3 Gd 0.44255(4) 0.23187(2) 0.75978(3) 0.02088(10) Uani 1 1 d . . . . .
O2 O 0.6022(4) 0.8468(3) 1.1134(3) 0.0201(11) Uani 1 1 d . . . . .
O5 O 0.8515(5) 0.8531(3) 1.1345(4) 0.0256(12) Uani 1 1 d . . . . .
O4 O 0.5243(5) 0.3891(3) 0.7388(3) 0.0218(12) Uani 1 1 d . U . . .
O14 O 0.3115(4) 0.3150(3) 0.7983(3) 0.0206(11) Uani 1 1 d . . . . .
O11 O 0.5194(4) 0.3416(3) 0.9162(3) 0.0170(11) Uani 1 1 d . . . . .
O10 O 0.6229(4) 0.5438(3) 1.0363(3) 0.0178(11) Uani 1 1 d . . . . .
O6 O 0.8323(5) 0.7141(3) 0.9938(4) 0.0252(12) Uani 1 1 d . . . . .
O7 O 0.6548(5) 0.2435(4) 0.7993(4) 0.0314(13) Uani 1 1 d . . . . .
O1 O 0.5541(5) 0.9470(3) 1.2395(4) 0.0273(12) Uani 1 1 d . . . . .
N2 N 0.6607(6) 0.8138(4) 0.8579(4) 0.0219(14) Uani 1 1 d . . . . .
H2 H 0.685852 0.852445 0.819850 0.026 Uiso 1 1 calc R . . . .
O8 O 0.4813(5) 0.1911(4) 0.6200(4) 0.0299(13) Uani 1 1 d . . . . .
C19 C 0.9210(7) 0.7801(5) 0.9817(6) 0.0264(18) Uani 1 1 d . . . . .
O15 O 0.3545(5) 0.5293(4) 0.7509(4) 0.0343(14) Uani 1 1 d . U . . .
N3 N 0.6075(6) 0.5779(4) 0.7492(4) 0.0225(14) Uani 1 1 d . . . . .
O9 O 0.9619(5) 0.4864(4) 1.0755(4) 0.0403(15) Uani 1 1 d . . . . .
H9 H 0.956529 0.531100 1.043233 0.060 Uiso 1 1 calc DGR . . . .
O13 O 0.2158(5) 0.1113(4) 0.7132(4) 0.0360(14) Uani 1 1 d . . . . .
O3 O 0.5775(4) 0.6608(3) 0.8938(3) 0.0203(11) Uani 1 1 d . U . . .
C9 C 0.6224(7) 0.7199(5) 0.8407(5) 0.0211(16) Uani 1 1 d . U . . .
N5 N 0.7284(5) 0.4758(4) 0.9157(4) 0.0223(14) Uani 1 1 d . . . . .
H5A H 0.740326 0.435294 0.873908 0.027 Uiso 1 1 calc R . . . .
H5B H 0.785114 0.535781 0.924014 0.027 Uiso 1 1 calc R . . . .
N1 N 0.6569(5) 0.8462(4) 0.9450(4) 0.0200(14) Uani 1 1 d . . . . .
C11 C 0.6788(8) 0.7276(5) 0.6927(6) 0.034(2) Uani 1 1 d . . . . .
H11 H 0.700310 0.796607 0.700407 0.041 Uiso 1 1 calc R . . . .
C20 C 0.9677(7) 0.7555(6) 0.9046(6) 0.032(2) Uani 1 1 d . . . . .
H20A H 0.971809 0.688967 0.904561 0.048 Uiso 1 1 calc GR . . . .
H20B H 1.050101 0.801179 0.913425 0.048 Uiso 1 1 calc GR . . . .
H20C H 0.911601 0.760224 0.845513 0.048 Uiso 1 1 calc GR . . . .
C23 C 0.6944(8) 0.2200(6) 0.6555(6) 0.036(2) Uani 1 1 d . . . . .
H23 H 0.758689 0.220732 0.629748 0.043 Uiso 1 1 calc R . . . .
C17 C 0.9432(7) 0.9025(6) 1.1108(5) 0.0257(18) Uani 1 1 d . . . . .
C31 C 0.7373(7) 0.4373(5) 1.0033(5) 0.0210(16) Uani 1 1 d . . . . .
C1 C 0.5053(10) 0.9990(6) 1.2949(7) 0.052(3) Uani 1 1 d . . . . .
H1A H 0.454279 0.952915 1.324165 0.078 Uiso 1 1 calc GR . . . .
H1B H 0.454990 1.032783 1.255545 0.078 Uiso 1 1 calc GR . . . .
H1C H 0.573474 1.046763 1.342791 0.078 Uiso 1 1 calc GR . . . .
N4 N 0.2835(6) 0.2641(5) 0.6201(5) 0.0367(18) Uani 1 1 d . . . . .
H4A H 0.309755 0.327196 0.610689 0.044 Uiso 1 1 calc R . . . .
H4B H 0.273361 0.224745 0.568024 0.044 Uiso 1 1 calc R . . . .
C4 C 0.6656(8) 1.1436(5) 1.1096(6) 0.032(2) Uani 1 1 d . . . . .
H4 H 0.682346 1.211928 1.110570 0.038 Uiso 1 1 calc R . . . .
C24 C 0.5758(8) 0.1994(5) 0.5943(6) 0.0276(19) Uani 1 1 d . . . . .
C8 C 0.6721(7) 0.9377(5) 0.9589(5) 0.0229(17) Uani 1 1 d . . . . .
H8 H 0.691793 0.975206 0.912758 0.028 Uiso 1 1 calc R . . . .
C30 C 0.8523(7) 0.4085(5) 1.0443(6) 0.0260(18) Uani 1 1 d . . . . .
H30A H 0.841513 0.373042 1.096721 0.031 Uiso 1 1 calc R . . . .
H30B H 0.859691 0.363104 0.996930 0.031 Uiso 1 1 calc R . . . .
C10 C 0.6365(7) 0.6752(5) 0.7566(5) 0.0249(18) Uani 1 1 d . . . . .
C15 C 0.5843(8) 0.4222(5) 0.6724(5) 0.0239(17) Uani 1 1 d . U . . .
H15A H 0.529109 0.391083 0.609710 0.029 Uiso 1 1 calc R . . . .
H15B H 0.659763 0.402860 0.683516 0.029 Uiso 1 1 calc R . . . .
C18 C 0.9761(7) 0.8715(6) 1.0352(6) 0.0290(19) Uani 1 1 d . . . . .
H18 H 1.040792 0.916433 1.019434 0.035 Uiso 1 1 calc R . . . .
C14 C 0.6179(7) 0.5297(5) 0.6775(6) 0.0262(18) Uani 1 1 d . . . . .
C5 C 0.6820(7) 1.0892(5) 1.0408(6) 0.0286(19) Uani 1 1 d . . . . .
H5 H 0.707652 1.120197 0.993059 0.034 Uiso 1 1 calc R . . . .
C7 C 0.6244(6) 0.9413(5) 1.1093(5) 0.0192(16) Uani 1 1 d . . . . .
C2 C 0.6019(7) 0.9990(5) 1.1769(5) 0.0215(16) Uani 1 1 d . . . . .
C29 C 0.1960(7) 0.3092(6) 0.7343(5) 0.0259(18) Uani 1 1 d . . . . .
H29A H 0.196544 0.375481 0.721511 0.031 Uiso 1 1 calc R . . . .
H29B H 0.129896 0.283193 0.762572 0.031 Uiso 1 1 calc R . . . .
C12 C 0.6890(10) 0.6768(7) 0.6167(7) 0.052(3) Uani 1 1 d . . . . .
H12 H 0.715755 0.710388 0.570530 0.063 Uiso 1 1 calc R . . . .
C6 C 0.6617(7) 0.9878(5) 1.0390(6) 0.0240(18) Uani 1 1 d . . . . .
C35 C 0.3143(9) 0.5655(7) 0.6840(8) 0.056(3) Uani 1 1 d . U . . .
C22 C 0.7268(8) 0.2400(6) 0.7536(6) 0.034(2) Uani 1 1 d . . . . .
C16 C 1.0207(8) 0.9999(6) 1.1711(6) 0.044(2) Uani 1 1 d . . . . .
H16A H 0.966629 1.036978 1.179543 0.067 Uiso 1 1 calc GR . . . .
H16B H 1.078761 1.036849 1.141023 0.067 Uiso 1 1 calc GR . . . .
H16C H 1.066663 0.988447 1.231411 0.067 Uiso 1 1 calc GR . . . .
C33 C 0.6295(6) 0.3431(5) 0.9873(5) 0.0199(16) Uani 1 1 d . . . . .
H33A H 0.655552 0.287495 0.970244 0.024 Uiso 1 1 calc R . . . .
H33B H 0.609799 0.333961 1.045929 0.024 Uiso 1 1 calc R . . . .
C28 C 0.1229(8) 0.1385(6) 0.6479(6) 0.038(2) Uani 1 1 d . . . . .
H28A H 0.047355 0.123447 0.667036 0.046 Uiso 1 1 calc R . . . .
H28B H 0.102057 0.100480 0.586328 0.046 Uiso 1 1 calc R . . . .
C32 C 0.7311(7) 0.5159(5) 1.0703(5) 0.0184(16) Uani 1 1 d . . . . .
H32A H 0.732101 0.491667 1.129987 0.022 Uiso 1 1 calc R . . . .
H32B H 0.804917 0.573795 1.081598 0.022 Uiso 1 1 calc R . . . .
C3 C 0.6238(8) 1.0978(5) 1.1784(6) 0.0301(19) Uani 1 1 d . . . . .
H3 H 0.610641 1.134587 1.225943 0.036 Uiso 1 1 calc R . . . .
C27 C 0.1669(7) 0.2435(6) 0.6420(6) 0.033(2) Uani 1 1 d . . . . .
O12 O -0.0403(7) 0.2540(6) 0.5797(6) 0.075(2) Uani 1 1 d . . . . .
H12A H -0.072795 0.193894 0.577711 0.113 Uiso 1 1 calc GR . . . .
C13 C 0.6596(9) 0.5765(6) 0.6093(6) 0.038(2) Uani 1 1 d . . . . .
H13 H 0.667655 0.540221 0.558863 0.046 Uiso 1 1 calc R . . . .
C26 C 0.0754(9) 0.2716(8) 0.5624(7) 0.050(3) Uani 1 1 d . . . . .
H26A H 0.109313 0.341368 0.557325 0.060 Uiso 1 1 calc R . . . .
H26B H 0.063656 0.232735 0.503148 0.060 Uiso 1 1 calc R . . . .
C21 C 0.8611(8) 0.2576(8) 0.8094(8) 0.056(3) Uani 1 1 d . . . . .
H21A H 0.894078 0.321588 0.847800 0.084 Uiso 1 1 calc GR . . . .
H21B H 0.909560 0.255519 0.767125 0.084 Uiso 1 1 calc GR . . . .
H21C H 0.866018 0.206915 0.849046 0.084 Uiso 1 1 calc GR . . . .
C25 C 0.5557(11) 0.1852(8) 0.4927(7) 0.060(3) Uani 1 1 d . . . . .
H25A H 0.503725 0.118127 0.466318 0.091 Uiso 1 1 calc GR . . . .
H25B H 0.635329 0.197478 0.481000 0.091 Uiso 1 1 calc GR . . . .
H25C H 0.514847 0.230579 0.463904 0.091 Uiso 1 1 calc GR . . . .
C36B C 0.322(3) 0.498(2) 0.6085(18) 0.068(3) Uani 0.458(13) 1 d . U P A 1
H36A H 0.398612 0.526654 0.593544 0.103 Uiso 0.458(13) 1 calc GR . P A 1
H36B H 0.251344 0.487758 0.553303 0.103 Uiso 0.458(13) 1 calc GR . P A 1
H36C H 0.321500 0.435057 0.629709 0.103 Uiso 0.458(13) 1 calc GR . P A 1
C34B C 0.313(3) 0.6337(18) 0.6526(19) 0.068(3) Uani 0.458(13) 1 d . U P A 1
H34A H 0.368049 0.690677 0.697752 0.103 Uiso 0.458(13) 1 calc GR . P A 1
H34B H 0.228642 0.637380 0.635062 0.103 Uiso 0.458(13) 1 calc GR . P A 1
H34C H 0.340184 0.632615 0.597634 0.103 Uiso 0.458(13) 1 calc GR . P A 1
C36A C 0.301(2) 0.5461(17) 0.6033(16) 0.068(3) Uani 0.542(13) 1 d . U P A 2
H36D H 0.356796 0.599054 0.583813 0.103 Uiso 0.542(13) 1 calc GR . P A 2
H36E H 0.215324 0.538067 0.567520 0.103 Uiso 0.542(13) 1 calc GR . P A 2
H36F H 0.318818 0.485471 0.592733 0.103 Uiso 0.542(13) 1 calc GR . P A 2
C34A C 0.285(2) 0.6439(15) 0.7122(16) 0.068(3) Uani 0.542(13) 1 d . U P A 2
H34D H 0.229463 0.624232 0.749840 0.103 Uiso 0.542(13) 1 calc GR . P A 2
H34E H 0.243340 0.668621 0.657948 0.103 Uiso 0.542(13) 1 calc GR . P A 2
H34F H 0.360031 0.695184 0.748903 0.103 Uiso 0.542(13) 1 calc GR . 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
Gd2 Gd1 3.6880(5) 2_667 ?
Gd2 Gd1 4.0008(5) . ?
Gd2 Gd3 3.6872(5) . ?
Gd2 O4 2.357(5) . ?
Gd2 O14 2.765(5) . ?
Gd2 O11 2.317(4) . ?
Gd2 O10 2.462(4) 2_667 ?
Gd2 O10 2.598(5) . ?
Gd2 O15 2.374(5) . ?
Gd2 N3 2.562(6) . ?
Gd2 O3 2.408(5) . ?
Gd2 N5 2.575(6) . ?
Gd1 Gd3 3.5857(5) 2_667 ?
Gd1 O2 2.422(5) . ?
Gd1 O5 2.374(5) . ?
Gd1 O14 2.325(5) 2_667 ?
Gd1 O11 2.379(4) 2_667 ?
Gd1 O10 2.471(4) . ?
Gd1 O6 2.363(5) . ?
Gd1 O3 2.368(5) . ?
Gd1 N1 2.505(6) . ?
Gd3 O2 2.401(5) 2_667 ?
Gd3 O4 2.283(4) . ?
Gd3 O14 2.398(5) . ?
Gd3 O11 2.564(5) . ?
Gd3 O7 2.382(5) . ?
Gd3 O1 2.606(5) 2_667 ?
Gd3 O8 2.379(5) . ?
Gd3 O13 2.629(6) . ?
Gd3 N4 2.591(7) . ?
O2 C7 1.327(8) . ?
O5 C17 1.276(8) . ?
O4 C15 1.420(8) . ?
O14 C29 1.424(9) . ?
O11 C33 1.444(8) . ?
O10 C32 1.429(8) . ?
O6 C19 1.267(8) . ?
O7 C22 1.255(9) . ?
O1 C1 1.440(9) . ?
O1 C2 1.389(9) . ?
N2 C9 1.290(9) . ?
N2 N1 1.399(8) . ?
O8 C24 1.267(9) . ?
C19 C20 1.498(11) . ?
C19 C18 1.390(11) . ?
O15 C35 1.214(10) . ?
N3 C10 1.342(9) . ?
N3 C14 1.319(9) . ?
O9 C30 1.395(9) . ?
O13 C28 1.433(10) . ?
O3 C9 1.312(8) . ?
C9 C10 1.475(10) . ?
N5 C31 1.462(9) . ?
N1 C8 1.283(9) . ?
C11 C10 1.381(10) . ?
C11 C12 1.391(12) . ?
C23 C24 1.395(12) . ?
C23 C22 1.425(12) . ?
C17 C18 1.405(11) . ?
C17 C16 1.524(11) . ?
C31 C30 1.524(10) . ?
C31 C33 1.532(9) . ?
C31 C32 1.520(10) . ?
N4 C27 1.467(10) . ?
C4 C5 1.367(11) . ?
C4 C3 1.400(11) . ?
C24 C25 1.491(12) . ?
C8 C6 1.440(10) . ?
C15 C14 1.484(9) . ?
C14 C13 1.397(10) . ?
C5 C6 1.417(10) . ?
C7 C2 1.421(10) . ?
C7 C6 1.402(10) . ?
C2 C3 1.377(10) . ?
C29 C27 1.547(11) . ?
C12 C13 1.383(11) . ?
C35 C36B 1.51(3) . ?
C35 C34B 1.12(2) . ?
C35 C36A 1.20(2) . ?
C35 C34A 1.37(2) . ?
C22 C21 1.526(13) . ?
C28 C27 1.475(12) . ?
C27 C26 1.550(12) . ?
O12 C26 1.426(11) . ?

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
Gd1 Gd2 Gd1 112.490(11) 2_667 . ?
Gd3 Gd2 Gd1 58.180(10) . 2_667 ?
Gd3 Gd2 Gd1 156.125(13) . . ?
O4 Gd2 Gd1 146.44(12) . . ?
O4 Gd2 Gd1 94.60(11) . 2_667 ?
O4 Gd2 Gd3 36.68(11) . . ?
O4 Gd2 O14 67.38(15) . . ?
O4 Gd2 O10 134.08(15) . 2_667 ?
O4 Gd2 O10 137.57(16) . . ?
O4 Gd2 O15 87.99(19) . . ?
O4 Gd2 N3 63.84(17) . . ?
O4 Gd2 O3 127.12(15) . . ?
O4 Gd2 N5 74.64(19) . . ?
O14 Gd2 Gd1 39.05(10) . 2_667 ?
O14 Gd2 Gd1 145.82(10) . . ?
O14 Gd2 Gd3 40.57(10) . . ?
O11 Gd2 Gd1 114.34(12) . . ?
O11 Gd2 Gd1 38.84(11) . 2_667 ?
O11 Gd2 Gd3 43.52(12) . . ?
O11 Gd2 O4 74.62(16) . . ?
O11 Gd2 O14 58.93(15) . . ?
O11 Gd2 O10 74.29(15) . 2_667 ?
O11 Gd2 O10 77.62(15) . . ?
O11 Gd2 O15 134.25(18) . . ?
O11 Gd2 N3 130.44(18) . . ?
O11 Gd2 O3 146.36(17) . . ?
O11 Gd2 N5 66.19(17) . . ?
O10 Gd2 Gd1 78.07(11) 2_667 . ?
O10 Gd2 Gd1 41.70(10) 2_667 2_667 ?
O10 Gd2 Gd1 36.77(9) . . ?
O10 Gd2 Gd1 82.94(9) . 2_667 ?
O10 Gd2 Gd3 99.16(10) 2_667 . ?
O10 Gd2 Gd3 120.58(10) . . ?
O10 Gd2 O14 121.96(14) . . ?
O10 Gd2 O14 67.81(15) 2_667 . ?
O10 Gd2 O10 64.50(18) 2_667 . ?
O10 Gd2 N3 155.26(17) 2_667 . ?
O10 Gd2 N5 120.56(17) 2_667 . ?
O15 Gd2 Gd1 103.54(14) . . ?
O15 Gd2 Gd1 103.69(12) . 2_667 ?
O15 Gd2 Gd3 100.16(14) . . ?
O15 Gd2 O14 75.33(16) . . ?
O15 Gd2 O10 133.90(18) . . ?
O15 Gd2 O10 90.18(17) . 2_667 ?
O15 Gd2 N3 71.72(19) . . ?
O15 Gd2 O3 76.82(18) . . ?
O15 Gd2 N5 148.81(18) . . ?
N3 Gd2 Gd1 89.66(14) . . ?
N3 Gd2 Gd1 157.73(14) . 2_667 ?
N3 Gd2 Gd3 100.52(14) . . ?
N3 Gd2 O14 120.89(17) . . ?
N3 Gd2 O10 116.35(17) . . ?
N3 Gd2 N5 77.35(19) . . ?
O3 Gd2 Gd1 138.05(11) . 2_667 ?
O3 Gd2 Gd1 32.80(11) . . ?
O3 Gd2 Gd3 163.75(11) . . ?
O3 Gd2 O14 147.93(16) . . ?
O3 Gd2 O10 96.82(15) . 2_667 ?
O3 Gd2 O10 69.44(15) . . ?
O3 Gd2 N3 63.29(17) . . ?
O3 Gd2 N5 93.06(18) . . ?
N5 Gd2 Gd1 103.37(12) . 2_667 ?
N5 Gd2 Gd1 79.92(14) . . ?
N5 Gd2 Gd3 81.33(13) . . ?
N5 Gd2 O14 119.01(16) . . ?
N5 Gd2 O10 64.97(17) . . ?
Gd2 Gd1 Gd2 67.510(11) 2_667 . ?
Gd3 Gd1 Gd2 60.898(10) 2_667 2_667 ?
Gd3 Gd1 Gd2 123.153(12) 2_667 . ?
O2 Gd1 Gd2 97.86(11) . 2_667 ?
O2 Gd1 Gd2 134.46(12) . . ?
O2 Gd1 Gd3 41.74(11) . 2_667 ?
O2 Gd1 O10 138.80(15) . . ?
O2 Gd1 N1 69.67(18) . . ?
O5 Gd1 Gd2 149.25(12) . . ?
O5 Gd1 Gd2 129.69(12) . 2_667 ?
O5 Gd1 Gd3 85.63(12) . 2_667 ?
O5 Gd1 O2 73.47(17) . . ?
O5 Gd1 O11 131.03(17) . 2_667 ?
O5 Gd1 O10 132.73(17) . . ?
O5 Gd1 N1 79.89(18) . . ?
O14 Gd1 Gd2 48.51(12) 2_667 2_667 ?
O14 Gd1 Gd2 112.15(12) 2_667 . ?
O14 Gd1 Gd3 41.38(12) 2_667 2_667 ?
O14 Gd1 O2 80.10(16) 2_667 . ?
O14 Gd1 O5 81.35(17) 2_667 . ?
O14 Gd1 O11 65.07(16) 2_667 2_667 ?
O14 Gd1 O10 75.14(16) 2_667 . ?
O14 Gd1 O6 116.29(18) 2_667 . ?
O14 Gd1 O3 144.27(16) 2_667 . ?
O14 Gd1 N1 147.87(18) 2_667 . ?
O11 Gd1 Gd2 78.96(11) 2_667 . ?
O11 Gd1 Gd2 37.66(10) 2_667 2_667 ?
O11 Gd1 Gd3 45.57(12) 2_667 2_667 ?
O11 Gd1 O2 66.72(15) 2_667 . ?
O11 Gd1 O10 73.08(15) 2_667 . ?
O11 Gd1 N1 110.19(17) 2_667 . ?
O10 Gd1 Gd2 39.02(11) . . ?
O10 Gd1 Gd2 41.52(10) . 2_667 ?
O10 Gd1 Gd3 101.68(11) . 2_667 ?
O10 Gd1 N1 135.82(18) . . ?
O6 Gd1 Gd2 122.22(11) . 2_667 ?
O6 Gd1 Gd2 77.53(13) . . ?
O6 Gd1 Gd3 151.79(14) . 2_667 ?
O6 Gd1 O2 138.15(16) . . ?
O6 Gd1 O5 71.74(18) . . ?
O6 Gd1 O11 154.73(16) . 2_667 ?
O6 Gd1 O10 82.81(15) . . ?
O6 Gd1 O3 73.81(18) . . ?
O6 Gd1 N1 81.92(18) . . ?
O3 Gd1 Gd2 96.32(11) . 2_667 ?
O3 Gd1 Gd2 33.43(11) . . ?
O3 Gd1 Gd3 134.25(12) . 2_667 ?
O3 Gd1 O2 116.34(17) . . ?
O3 Gd1 O5 132.50(16) . . ?
O3 Gd1 O11 91.39(16) . 2_667 ?
O3 Gd1 O10 72.31(16) . . ?
O3 Gd1 N1 63.65(17) . . ?
N1 Gd1 Gd2 144.60(14) . 2_667 ?
N1 Gd1 Gd2 97.08(14) . . ?
N1 Gd1 Gd3 111.08(14) . 2_667 ?
Gd1 Gd3 Gd2 60.922(9) 2_667 . ?
O2 Gd3 Gd2 98.28(11) 2_667 . ?
O2 Gd3 Gd1 42.19(11) 2_667 2_667 ?
O2 Gd3 O11 64.15(14) 2_667 . ?
O2 Gd3 O1 63.21(16) 2_667 2_667 ?
O2 Gd3 O13 67.87(17) 2_667 . ?
O2 Gd3 N4 126.05(19) 2_667 . ?
O4 Gd3 Gd2 38.09(12) . . ?
O4 Gd3 Gd1 98.73(12) . 2_667 ?
O4 Gd3 O2 135.14(16) . 2_667 ?
O4 Gd3 O14 75.31(16) . . ?
O4 Gd3 O11 71.29(15) . . ?
O4 Gd3 O7 80.21(18) . . ?
O4 Gd3 O1 151.30(17) . 2_667 ?
O4 Gd3 O8 84.62(17) . . ?
O4 Gd3 O13 133.06(18) . . ?
O4 Gd3 N4 73.3(2) . . ?
O14 Gd3 Gd2 48.57(12) . . ?
O14 Gd3 Gd1 39.86(11) . 2_667 ?
O14 Gd3 O2 79.09(15) . 2_667 ?
O14 Gd3 O11 61.20(16) . . ?
O14 Gd3 O1 133.36(16) . 2_667 ?
O14 Gd3 O13 70.80(17) . . ?
O14 Gd3 N4 64.69(19) . . ?
O11 Gd3 Gd2 38.49(9) . . ?
O11 Gd3 Gd1 41.49(10) . 2_667 ?
O11 Gd3 O1 117.56(16) . 2_667 ?
O11 Gd3 O13 116.26(16) . . ?
O11 Gd3 N4 120.68(19) . . ?
O7 Gd3 Gd2 93.69(13) . . ?
O7 Gd3 Gd1 116.66(13) . 2_667 ?
O7 Gd3 O2 97.62(17) . 2_667 ?
O7 Gd3 O14 140.14(18) . . ?
O7 Gd3 O11 81.42(17) . . ?
O7 Gd3 O1 74.72(17) . 2_667 ?
O7 Gd3 O13 144.84(18) . . ?
O7 Gd3 N4 135.84(19) . . ?
O1 Gd3 Gd2 155.74(12) 2_667 . ?
O1 Gd3 Gd1 104.83(11) 2_667 2_667 ?
O1 Gd3 O13 70.15(17) 2_667 . ?
O8 Gd3 Gd2 122.66(12) . . ?
O8 Gd3 Gd1 170.03(14) . 2_667 ?
O8 Gd3 O2 138.07(16) . 2_667 ?
O8 Gd3 O14 133.79(17) . . ?
O8 Gd3 O11 147.53(17) . . ?
O8 Gd3 O7 73.10(19) . . ?
O8 Gd3 O1 74.97(16) . 2_667 ?
O8 Gd3 O13 96.04(19) . . ?
O8 Gd3 N4 69.8(2) . . ?
O13 Gd3 Gd2 119.36(12) . . ?
O13 Gd3 Gd1 74.77(13) . 2_667 ?
N4 Gd3 Gd2 86.82(16) . . ?
N4 Gd3 Gd1 102.03(15) . 2_667 ?
N4 Gd3 O1 116.4(2) . 2_667 ?
N4 Gd3 O13 63.27(19) . . ?
Gd3 O2 Gd1 96.07(15) 2_667 . ?
C7 O2 Gd1 134.1(4) . . ?
C7 O2 Gd3 124.9(4) . 2_667 ?
C17 O5 Gd1 132.1(5) . . ?
Gd3 O4 Gd2 105.23(17) . . ?
C15 O4 Gd2 127.0(4) . . ?
C15 O4 Gd3 127.5(4) . . ?
Gd1 O14 Gd2 92.45(16) 2_667 . ?
Gd1 O14 Gd3 98.75(17) 2_667 . ?
Gd3 O14 Gd2 90.85(15) . . ?
C29 O14 Gd2 123.7(4) . . ?
C29 O14 Gd1 121.9(4) . 2_667 ?
C29 O14 Gd3 121.4(4) . . ?
Gd2 O11 Gd1 103.49(17) . 2_667 ?
Gd2 O11 Gd3 97.99(16) . . ?
Gd1 O11 Gd3 92.94(16) 2_667 . ?
C33 O11 Gd2 118.7(4) . . ?
C33 O11 Gd1 116.9(4) . 2_667 ?
C33 O11 Gd3 122.1(4) . . ?
Gd2 O10 Gd2 115.50(18) 2_667 . ?
Gd2 O10 Gd1 96.78(16) 2_667 . ?
Gd1 O10 Gd2 104.21(16) . . ?
C32 O10 Gd2 114.4(4) . . ?
C32 O10 Gd2 112.3(4) . 2_667 ?
C32 O10 Gd1 111.9(4) . . ?
C19 O6 Gd1 131.4(5) . . ?
C22 O7 Gd3 134.3(6) . . ?
C1 O1 Gd3 127.9(4) . 2_667 ?
C2 O1 Gd3 117.1(4) . 2_667 ?
C2 O1 C1 115.0(5) . . ?
C9 N2 N1 111.3(5) . . ?
C24 O8 Gd3 136.2(5) . . ?
O6 C19 C20 116.3(7) . . ?
O6 C19 C18 124.3(7) . . ?
C18 C19 C20 119.4(7) . . ?
C35 O15 Gd2 155.6(6) . . ?
C10 N3 Gd2 120.2(5) . . ?
C14 N3 Gd2 120.2(4) . . ?
C14 N3 C10 119.1(6) . . ?
C28 O13 Gd3 117.0(5) . . ?
Gd1 O3 Gd2 113.78(18) . . ?
C9 O3 Gd2 125.2(4) . . ?
C9 O3 Gd1 112.5(4) . . ?
N2 C9 O3 125.5(7) . . ?
N2 C9 C10 117.2(6) . . ?
O3 C9 C10 117.2(6) . . ?
C31 N5 Gd2 104.3(4) . . ?
N2 N1 Gd1 112.2(4) . . ?
C8 N1 Gd1 132.2(5) . . ?
C8 N1 N2 113.8(6) . . ?
C10 C11 C12 118.4(7) . . ?
C24 C23 C22 125.3(8) . . ?
O5 C17 C18 124.1(7) . . ?
O5 C17 C16 116.1(7) . . ?
C18 C17 C16 119.8(7) . . ?
N5 C31 C30 115.8(6) . . ?
N5 C31 C33 108.5(6) . . ?
N5 C31 C32 106.1(6) . . ?
C30 C31 C33 104.8(6) . . ?
C32 C31 C30 109.9(6) . . ?
C32 C31 C33 111.9(6) . . ?
C27 N4 Gd3 107.1(5) . . ?
C5 C4 C3 119.4(7) . . ?
O8 C24 C23 123.5(8) . . ?
O8 C24 C25 116.7(8) . . ?
C23 C24 C25 119.8(8) . . ?
N1 C8 C6 125.0(7) . . ?
O9 C30 C31 114.7(6) . . ?
N3 C10 C9 113.4(6) . . ?
N3 C10 C11 122.6(7) . . ?
C11 C10 C9 123.9(6) . . ?
O4 C15 C14 111.0(6) . . ?
C19 C18 C17 124.9(7) . . ?
N3 C14 C15 117.0(6) . . ?
N3 C14 C13 122.2(7) . . ?
C13 C14 C15 120.8(7) . . ?
C4 C5 C6 121.7(7) . . ?
O2 C7 C2 118.6(6) . . ?
O2 C7 C6 124.3(7) . . ?
C6 C7 C2 117.0(6) . . ?
O1 C2 C7 114.3(6) . . ?
C3 C2 O1 123.3(7) . . ?
C3 C2 C7 122.4(7) . . ?
O14 C29 C27 112.8(6) . . ?
C13 C12 C11 118.9(7) . . ?
C5 C6 C8 116.1(7) . . ?
C7 C6 C8 124.0(6) . . ?
C7 C6 C5 119.7(7) . . ?
O15 C35 C36B 99.8(13) . . ?
O15 C35 C34A 109.3(14) . . ?
C34B C35 O15 147.7(19) . . ?
C34B C35 C36B 104.1(19) . . ?
C36A C35 O15 132.1(16) . . ?
C36A C35 C34A 118.5(15) . . ?
O7 C22 C23 126.1(8) . . ?
O7 C22 C21 116.2(8) . . ?
C23 C22 C21 117.7(8) . . ?
O11 C33 C31 113.9(5) . . ?
O13 C28 C27 110.4(7) . . ?
O10 C32 C31 112.3(6) . . ?
C2 C3 C4 119.6(7) . . ?
N4 C27 C29 106.1(7) . . ?
N4 C27 C28 107.9(7) . . ?
N4 C27 C26 106.9(7) . . ?
C29 C27 C26 111.0(7) . . ?
C28 C27 C29 113.3(7) . . ?
C28 C27 C26 111.2(8) . . ?
C12 C13 C14 118.7(8) . . ?
O12 C26 C27 109.9(8) . . ?

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 O4 C15 C14 -10.7(9) . . . . ?
Gd2 O14 C29 C27 116.5(6) . . . . ?
Gd2 O11 C33 C31 -12.4(7) . . . . ?
Gd2 O10 C32 C31 119.6(5) 2_667 . . . ?
Gd2 O10 C32 C31 -14.6(6) . . . . ?
Gd2 O15 C35 C36B 68(2) . . . . ?
Gd2 O15 C35 C34B -69(4) . . . . ?
Gd2 O15 C35 C36A 66(3) . . . . ?
Gd2 O15 C35 C34A -112(2) . . . . ?
Gd2 N3 C10 C9 8.5(9) . . . . ?
Gd2 N3 C10 C11 -173.3(6) . . . . ?
Gd2 N3 C14 C15 -7.5(10) . . . . ?
Gd2 N3 C14 C13 173.1(7) . . . . ?
Gd2 O3 C9 N2 -179.5(6) . . . . ?
Gd2 O3 C9 C10 -3.0(9) . . . . ?
Gd2 N5 C31 C30 170.7(5) . . . . ?
Gd2 N5 C31 C33 53.3(6) . . . . ?
Gd2 N5 C31 C32 -67.1(5) . . . . ?
Gd1 O2 C7 C2 -159.3(5) . . . . ?
Gd1 O2 C7 C6 24.9(11) . . . . ?
Gd1 O5 C17 C18 -19.5(11) . . . . ?
Gd1 O5 C17 C16 161.6(6) . . . . ?
Gd1 O14 C29 C27 -125.1(5) 2_667 . . . ?
Gd1 O11 C33 C31 -137.6(5) 2_667 . . . ?
Gd1 O10 C32 C31 -132.8(5) . . . . ?
Gd1 O6 C19 C20 -151.1(5) . . . . ?
Gd1 O6 C19 C18 29.3(12) . . . . ?
Gd1 O3 C9 N2 -33.8(9) . . . . ?
Gd1 O3 C9 C10 142.8(6) . . . . ?
Gd1 N1 C8 C6 -22.5(11) . . . . ?
Gd3 O2 C7 C2 -10.4(9) 2_667 . . . ?
Gd3 O2 C7 C6 173.8(5) 2_667 . . . ?
Gd3 O4 C15 C14 176.7(5) . . . . ?
Gd3 O14 C29 C27 1.1(8) . . . . ?
Gd3 O11 C33 C31 109.6(5) . . . . ?
Gd3 O7 C22 C23 -4.6(13) . . . . ?
Gd3 O7 C22 C21 176.3(6) . . . . ?
Gd3 O1 C2 C7 11.6(8) 2_667 . . . ?
Gd3 O1 C2 C3 -169.5(6) 2_667 . . . ?
Gd3 O8 C24 C23 15.1(11) . . . . ?
Gd3 O8 C24 C25 -165.3(6) . . . . ?
Gd3 O13 C28 C27 -17.9(8) . . . . ?
Gd3 N4 C27 C29 56.5(7) . . . . ?
Gd3 N4 C27 C28 -65.2(7) . . . . ?
Gd3 N4 C27 C26 175.1(6) . . . . ?
O2 C7 C2 O1 -1.9(10) . . . . ?
O2 C7 C2 C3 179.2(7) . . . . ?
O2 C7 C6 C8 4.6(12) . . . . ?
O2 C7 C6 C5 179.5(7) . . . . ?
O5 C17 C18 C19 -6.4(13) . . . . ?
O4 C15 C14 N3 11.0(10) . . . . ?
O4 C15 C14 C13 -169.6(8) . . . . ?
O14 C29 C27 N4 -40.0(8) . . . . ?
O14 C29 C27 C28 78.2(8) . . . . ?
O14 C29 C27 C26 -155.9(6) . . . . ?
O6 C19 C18 C17 1.5(13) . . . . ?
O1 C2 C3 C4 -176.4(7) . . . . ?
N2 C9 C10 N3 172.9(7) . . . . ?
N2 C9 C10 C11 -5.2(12) . . . . ?
N2 N1 C8 C6 174.3(7) . . . . ?
N3 C14 C13 C12 -1.1(14) . . . . ?
O13 C28 C27 N4 55.2(9) . . . . ?
O13 C28 C27 C29 -61.9(9) . . . . ?
O13 C28 C27 C26 172.2(7) . . . . ?
O3 C9 C10 N3 -3.9(10) . . . . ?
O3 C9 C10 C11 177.9(8) . . . . ?
C9 N2 N1 Gd1 25.4(7) . . . . ?
C9 N2 N1 C8 -167.9(7) . . . . ?
N5 C31 C30 O9 68.3(9) . . . . ?
N5 C31 C33 O11 -31.2(8) . . . . ?
N5 C31 C32 O10 55.7(7) . . . . ?
N1 N2 C9 O3 4.4(10) . . . . ?
N1 N2 C9 C10 -172.2(6) . . . . ?
N1 C8 C6 C5 -180.0(7) . . . . ?
N1 C8 C6 C7 -4.9(12) . . . . ?
C11 C12 C13 C14 1.5(15) . . . . ?
C20 C19 C18 C17 -178.2(7) . . . . ?
C1 O1 C2 C7 -166.8(7) . . . . ?
C1 O1 C2 C3 12.1(11) . . . . ?
N4 C27 C26 O12 -179.6(8) . . . . ?
C4 C5 C6 C8 174.9(8) . . . . ?
C4 C5 C6 C7 -0.3(12) . . . . ?
C24 C23 C22 O7 -1.1(14) . . . . ?
C24 C23 C22 C21 178.0(8) . . . . ?
C30 C31 C33 O11 -155.4(6) . . . . ?
C30 C31 C32 O10 -178.4(5) . . . . ?
C10 N3 C14 C15 -179.8(7) . . . . ?
C10 N3 C14 C13 0.8(12) . . . . ?
C10 C11 C12 C13 -1.6(15) . . . . ?
C15 C14 C13 C12 179.5(9) . . . . ?
C14 N3 C10 C9 -179.1(7) . . . . ?
C14 N3 C10 C11 -0.9(12) . . . . ?
C5 C4 C3 C2 1.1(13) . . . . ?
C7 C2 C3 C4 2.4(12) . . . . ?
C2 C7 C6 C8 -171.3(7) . . . . ?
C2 C7 C6 C5 3.6(11) . . . . ?
C29 C27 C26 O12 -64.2(10) . . . . ?
C12 C11 C10 N3 1.4(14) . . . . ?
C12 C11 C10 C9 179.4(9) . . . . ?
C6 C7 C2 O1 174.2(6) . . . . ?
C6 C7 C2 C3 -4.7(11) . . . . ?
C22 C23 C24 O8 -3.8(13) . . . . ?
C22 C23 C24 C25 176.6(8) . . . . ?
C16 C17 C18 C19 172.6(8) . . . . ?
C33 C31 C30 O9 -172.3(6) . . . . ?
C33 C31 C32 O10 -62.4(7) . . . . ?
C28 C27 C26 O12 62.9(10) . . . . ?
C32 C31 C30 O9 -51.9(8) . . . . ?
C32 C31 C33 O11 85.5(7) . . . . ?
C3 C4 C5 C6 -2.1(13) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 1860185'
loop_
_audit_author_name
_audit_author_address
'Wen-Min Wang'
;Taiyuan Normal University
China
;
_audit_update_record             
;
2019-09-22 deposited with the CCDC.	2019-10-03 downloaded from the CCDC.
;
_audit_creation_date             2019-09-05
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H102 Dy6 N10 O30'
_chemical_formula_sum            'C72 H102 Dy6 N10 O30'
_chemical_formula_weight         2562.63
_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'
Dy Dy -0.1892 4.4098 '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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.9121(6)
_cell_length_b                   14.5229(6)
_cell_length_c                   15.2125(8)
_cell_angle_alpha                93.0144(19)
_cell_angle_beta                 106.282(2)
_cell_angle_gamma                106.9591(18)
_cell_volume                     2390.3(2)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9890
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.47
_cell_measurement_theta_min      2.64
_shelx_estimated_absorpt_T_max   0.559
_shelx_estimated_absorpt_T_min   0.374
_exptl_absorpt_coefficient_mu    4.705
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0903 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.7218.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.14
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_av_unetI/netI     0.0481
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            42796
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.022
_diffrn_reflns_theta_min         2.190
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_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                7508
_reflns_number_total             9417
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _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       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.851
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     544
_refine_ls_number_reflns         9417
_refine_ls_number_restraints     56
_refine_ls_R_factor_all          0.0496
_refine_ls_R_factor_gt           0.0325
_refine_ls_restrained_S_all      1.014
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0356P)²+6.5898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0806
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups, All N(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 H9_$1-H9_$2
 2.2 with sigma of 0.02
 C36B-C35 \\sim C35-C34B
 with sigma of 0.02
3. Rigid bond restraints
 C35
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C14
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C35 \\sim O15: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C35: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C14: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C15 \\sim O4: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C14 \\sim C15 \\sim O4: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C10) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C12) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C35) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C15) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C36B) = Uanis(C36A) = Uanis(C34B) = Uanis(C34A)
5. Others
 Sof(C34A)=Sof(H34D)=Sof(H34E)=Sof(H34F)=Sof(C36A)=Sof(H36D)=Sof(H36E)=
 Sof(H36F)=1-FVAR(1)
 Sof(C34B)=Sof(H34A)=Sof(H34B)=Sof(H34C)=Sof(C36B)=Sof(H36A)=Sof(H36B)=
 Sof(H36C)=FVAR(1)
6.a Secondary CH2 refined with riding coordinates:
 N4(H4A,H4B), N5(H5A,H5B), C29(H29A,H29B), C30(H30A,H30B), C32(H32A,H32B),
 C33(H33A,H33B), C28(H28A,H28B), C26(H26A,H26B), C15(H15A,H15B)
6.b Aromatic/amide H refined with riding coordinates:
 N2(H2), C8(H8), C5(H5), C3(H3), C4(H4), C18(H18), C23(H23), C11(H11),
 C12(H12A), C13(H13)
6.c Idealised Me refined as rotating group:
 C16(H16A,H16B,H16C), C1(H1A,H1B,H1C), C20(H20A,H20B,H20C), C25(H25A,H25B,
 H25C), C21(H21A,H21B,H21C), C34B(H34A,H34B,H34C), C36B(H36A,H36B,H36C),
 C34A(H34D,H34E,H34F), C36A(H36D,H36E,H36F)
6.d Idealised tetrahedral OH refined as rotating group:
 O9(H9), O12(H12)
;
_atom_sites_solution_hydrogens   geom
_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
Dy1 Dy 0.99272(2) 0.51452(2) 0.13892(2) 0.01559(7) Uani 1 1 d . . . . .
Dy2 Dy 1.17137(2) 0.72272(2) 0.05292(2) 0.01616(7) Uani 1 1 d . . . . .
Dy3 Dy 1.05772(3) 0.76808(2) 0.24008(2) 0.01942(7) Uani 1 1 d . . . . .
O3 O 1.0783(3) 0.6608(2) -0.1059(3) 0.0160(8) Uani 1 1 d . . . . .
O10 O 0.8762(3) 0.4553(2) -0.0369(2) 0.0131(7) Uani 1 1 d . . . . .
O11 O 0.9804(3) 0.6585(2) 0.0839(2) 0.0135(7) Uani 1 1 d . . . . .
O5 O 1.3327(3) 0.7146(3) -0.0062(3) 0.0202(8) Uani 1 1 d . . . . .
O2 O 1.1027(3) 0.8469(2) 0.1128(3) 0.0163(8) Uani 1 1 d . . . . .
O6 O 1.3518(3) 0.8533(3) 0.1345(3) 0.0216(9) Uani 1 1 d . . . . .
O14 O 1.1888(3) 0.6854(3) 0.2016(3) 0.0170(8) Uani 1 1 d . . . . .
O7 O 0.8456(4) 0.7561(3) 0.1998(3) 0.0280(10) Uani 1 1 d . . . . .
O1 O 1.0548(4) 0.9473(3) 0.2385(3) 0.0255(9) Uani 1 1 d . . . . .
O8 O 1.0182(4) 0.8083(3) 0.3790(3) 0.0243(9) Uani 1 1 d . . . . .
N4 N 0.7713(4) 0.5236(3) 0.0837(3) 0.0181(10) Uani 1 1 d . . . . .
H4A H 0.714603 0.463579 0.075141 0.022 Uiso 1 1 calc R . . . .
H4B H 0.759171 0.563940 0.125394 0.022 Uiso 1 1 calc R . . . .
O15 O 1.1450(4) 0.4724(3) 0.2505(3) 0.0322(10) Uani 1 1 d . U . . .
N2 N 1.1609(4) 0.8134(3) -0.1425(3) 0.0192(10) Uani 1 1 d . . . . .
H2 H 1.186470 0.852192 -0.180422 0.023 Uiso 1 1 calc R . . . .
N3 N 1.1065(4) 0.5774(3) -0.2519(3) 0.0182(10) Uani 1 1 d . . . . .
N1 N 1.1562(4) 0.8455(3) -0.0560(3) 0.0178(10) Uani 1 1 d . . . . .
O13 O 1.2847(4) 0.8880(3) 0.2871(3) 0.0330(10) Uani 1 1 d . . . . .
O9 O 0.5377(4) 0.5124(3) -0.0755(4) 0.0383(12) Uani 1 1 d . . . . .
H9 H 0.543089 0.468270 -0.042619 0.057 Uiso 1 1 calc DGR . . . .
N5 N 1.2157(5) 0.7362(4) 0.3791(4) 0.0351(13) Uani 1 1 d . . . . .
H5A H 1.225864 0.775470 0.431275 0.042 Uiso 1 1 calc R . . . .
H5B H 1.189318 0.673161 0.388488 0.042 Uiso 1 1 calc R . . . .
C17 C 1.4218(5) 0.7807(4) -0.0171(4) 0.0207(12) Uani 1 1 d . . . . .
C8 C 1.1711(5) 0.9366(4) -0.0418(4) 0.0181(12) Uani 1 1 d . . . . .
H8 H 1.190074 0.973835 -0.088351 0.022 Uiso 1 1 calc R . . . .
C31 C 0.7631(5) 0.5622(4) -0.0040(4) 0.0170(11) Uani 1 1 d . . . . .
C7 C 1.1241(5) 0.9408(3) 0.1088(4) 0.0149(11) Uani 1 1 d . . . . .
C9 C 1.1231(5) 0.7201(4) -0.1598(4) 0.0173(11) Uani 1 1 d . . . . .
C6 C 1.1617(5) 0.9880(4) 0.0380(4) 0.0171(11) Uani 1 1 d . . . . .
C29 C 1.3034(5) 0.6907(4) 0.2661(4) 0.0197(12) Uani 1 1 d . . . . .
H29A H 1.369821 0.715312 0.237775 0.024 Uiso 1 1 calc R . . . .
H29B H 1.301571 0.624483 0.279606 0.024 Uiso 1 1 calc R . . . .
C14 C 1.1179(5) 0.5283(4) -0.3233(4) 0.0209(12) Uani 1 1 d . U . . .
C2 C 1.1020(5) 0.9991(4) 0.1755(4) 0.0197(12) Uani 1 1 d . . . . .
C10 C 1.1366(5) 0.6746(4) -0.2439(4) 0.0183(12) Uani 1 1 d . U . . .
C5 C 1.1818(5) 1.0884(4) 0.0391(4) 0.0238(13) Uani 1 1 d . . . . .
H5 H 1.207736 1.119446 -0.008539 0.029 Uiso 1 1 calc R . . . .
C24 C 0.9230(6) 0.8000(4) 0.4037(4) 0.0270(14) Uani 1 1 d . . . . .
C30 C 0.6467(5) 0.5902(4) -0.0447(4) 0.0224(13) Uani 1 1 d . . . . .
H30A H 0.639600 0.635316 0.003045 0.027 Uiso 1 1 calc R . . . .
H30B H 0.656550 0.625885 -0.097181 0.027 Uiso 1 1 calc R . . . .
C32 C 0.7675(5) 0.4831(4) -0.0708(4) 0.0149(11) Uani 1 1 d . . . . .
H32A H 0.693554 0.425391 -0.081380 0.018 Uiso 1 1 calc R . . . .
H32B H 0.765505 0.506604 -0.131008 0.018 Uiso 1 1 calc R . . . .
C3 C 1.1243(6) 1.0975(4) 0.1770(4) 0.0263(13) Uani 1 1 d . . . . .
H3 H 1.112219 1.134598 0.224742 0.032 Uiso 1 1 calc R . . . .
C19 C 1.4440(5) 0.9027(4) 0.1103(4) 0.0238(13) Uani 1 1 d . . . . .
C4 C 1.1646(6) 1.1422(4) 0.1079(4) 0.0270(14) Uani 1 1 d . . . . .
H4 H 1.180346 1.210256 0.108365 0.032 Uiso 1 1 calc R . . . .
C33 C 0.8716(5) 0.6572(4) 0.0133(4) 0.0151(11) Uani 1 1 d . . . . .
H33A H 0.891589 0.667208 -0.045090 0.018 Uiso 1 1 calc R . . . .
H33B H 0.845344 0.712340 0.030825 0.018 Uiso 1 1 calc R . . . .
C18 C 1.4766(5) 0.8727(4) 0.0358(4) 0.0237(13) Uani 1 1 d . . . . .
H18 H 1.540560 0.917850 0.019592 0.028 Uiso 1 1 calc R . . . .
O12 O 1.5411(5) 0.7490(5) 0.4198(4) 0.0639(17) Uani 1 1 d . . . . .
H12 H 1.586626 0.724962 0.457665 0.096 Uiso 1 1 calc GR . . . .
C16 C 1.4683(6) 0.7556(4) -0.0948(5) 0.0290(14) Uani 1 1 d . . . . .
H16A H 1.472897 0.689340 -0.094381 0.043 Uiso 1 1 calc GR . . . .
H16B H 1.550546 0.801522 -0.086301 0.043 Uiso 1 1 calc GR . . . .
H16C H 1.411640 0.759670 -0.154072 0.043 Uiso 1 1 calc GR . . . .
C23 C 0.8043(6) 0.7795(4) 0.3414(5) 0.0315(15) Uani 1 1 d . . . . .
H23 H 0.739899 0.778526 0.367066 0.038 Uiso 1 1 calc R . . . .
C28 C 1.3785(6) 0.8612(5) 0.3511(5) 0.0349(15) Uani 1 1 d . . . . .
H28A H 1.401687 0.899598 0.412862 0.042 Uiso 1 1 calc R . . . .
H28B H 1.452820 0.875457 0.330464 0.042 Uiso 1 1 calc R . . . .
C27 C 1.3338(5) 0.7572(5) 0.3573(4) 0.0277(14) Uani 1 1 d . . . . .
C22 C 0.7715(6) 0.7603(4) 0.2448(5) 0.0322(15) Uani 1 1 d . . . . .
C11 C 1.1764(6) 0.7266(4) -0.3087(4) 0.0318(15) Uani 1 1 d . U . . .
H11 H 1.194840 0.795318 -0.302507 0.038 Uiso 1 1 calc R . . . .
C12 C 1.1888(7) 0.6755(5) -0.3835(5) 0.0432(19) Uani 1 1 d . U . . .
H12A H 1.218466 0.709323 -0.428360 0.052 Uiso 1 1 calc R . . . .
C1 C 1.0077(9) 0.9983(5) 0.2942(6) 0.053(2) Uani 1 1 d . . . . .
H1A H 0.958200 0.952114 0.324319 0.079 Uiso 1 1 calc GR . . . .
H1B H 0.956013 1.031393 0.255210 0.079 Uiso 1 1 calc GR . . . .
H1C H 1.076497 1.046467 0.341503 0.079 Uiso 1 1 calc GR . . . .
C13 C 1.1579(7) 0.5760(4) -0.3922(4) 0.0335(16) Uani 1 1 d . U . . .
H13 H 1.163507 0.540040 -0.443926 0.040 Uiso 1 1 calc R . . . .
C20 C 1.5206(7) 0.9993(5) 0.1712(5) 0.0416(18) Uani 1 1 d . . . . .
H20A H 1.466423 1.036938 0.177668 0.062 Uiso 1 1 calc GR . . . .
H20B H 1.581118 1.035848 0.142991 0.062 Uiso 1 1 calc GR . . . .
H20C H 1.563776 0.987520 0.232455 0.062 Uiso 1 1 calc GR . . . .
C25 C 0.9423(8) 0.8146(6) 0.5051(5) 0.048(2) Uani 1 1 d . . . . .
H25A H 0.994270 0.776992 0.535804 0.073 Uiso 1 1 calc GR . . . .
H25B H 0.862366 0.792516 0.516573 0.073 Uiso 1 1 calc GR . . . .
H25C H 0.983006 0.883782 0.529803 0.073 Uiso 1 1 calc GR . . . .
C21 C 0.6395(7) 0.7421(7) 0.1887(6) 0.057(2) Uani 1 1 d . . . . .
H21A H 0.636441 0.779613 0.136905 0.086 Uiso 1 1 calc GR . . . .
H21B H 0.595469 0.762108 0.227869 0.086 Uiso 1 1 calc GR . . . .
H21C H 0.600314 0.672578 0.164692 0.086 Uiso 1 1 calc GR . . . .
C26 C 1.4260(7) 0.7302(6) 0.4372(5) 0.0456(19) Uani 1 1 d . . . . .
H26A H 1.437503 0.769089 0.496378 0.055 Uiso 1 1 calc R . . . .
H26B H 1.393068 0.660513 0.442457 0.055 Uiso 1 1 calc R . . . .
C35 C 1.1890(6) 0.4323(5) 0.3147(5) 0.0460(19) Uani 1 1 d D U . . .
C34B C 1.2045(18) 0.4576(10) 0.4028(8) 0.076(3) Uani 0.664(10) 1 d D . P A 1
H34A H 1.187494 0.519097 0.410693 0.113 Uiso 0.664(10) 1 calc GR . P A 1
H34B H 1.289749 0.465778 0.439281 0.113 Uiso 0.664(10) 1 calc GR . P A 1
H34C H 1.147765 0.406830 0.423960 0.113 Uiso 0.664(10) 1 calc GR . P A 1
C36B C 1.2299(17) 0.3583(10) 0.2892(9) 0.076(3) Uani 0.664(10) 1 d D . P A 1
H36A H 1.281476 0.341802 0.344447 0.113 Uiso 0.664(10) 1 calc GR . P A 1
H36B H 1.278396 0.379859 0.247237 0.113 Uiso 0.664(10) 1 calc GR . P A 1
H36C H 1.158804 0.300938 0.257638 0.113 Uiso 0.664(10) 1 calc GR . P A 1
C34A C 1.179(4) 0.505(2) 0.3947(17) 0.076(3) Uani 0.336(10) 1 d . . P A 2
H34D H 1.119425 0.468922 0.423786 0.113 Uiso 0.336(10) 1 calc GR . P A 2
H34E H 1.151470 0.557450 0.366978 0.113 Uiso 0.336(10) 1 calc GR . P A 2
H34F H 1.260029 0.533477 0.441510 0.113 Uiso 0.336(10) 1 calc GR . P A 2
C36A C 1.189(3) 0.3671(19) 0.3469(18) 0.076(3) Uani 0.336(10) 1 d . . P A 2
H36D H 1.151688 0.366710 0.396874 0.113 Uiso 0.336(10) 1 calc GR . P A 2
H36E H 1.273716 0.366451 0.372276 0.113 Uiso 0.336(10) 1 calc GR . P A 2
H36F H 1.140623 0.309366 0.300464 0.113 Uiso 0.336(10) 1 calc GR . P A 2
O4 O 1.0237(4) 0.3886(2) -0.2612(3) 0.0185(8) Uani 1 1 d . U . . .
C15 C 1.0851(6) 0.4223(4) -0.3271(4) 0.0217(12) Uani 1 1 d . U . . .
H15A H 1.030732 0.390624 -0.390051 0.026 Uiso 1 1 calc R . . . .
H15B H 1.160972 0.403577 -0.314796 0.026 Uiso 1 1 calc R . . . .


_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
Dy1 Dy2 3.6887(4) . ?
Dy1 Dy3 3.6879(4) . ?
Dy1 O3 2.413(3) 2_765 ?
Dy1 O10 2.464(3) 2_765 ?
Dy1 O10 2.608(4) . ?
Dy1 O11 2.321(3) . ?
Dy1 O14 2.764(4) . ?
Dy1 N4 2.579(4) . ?
Dy1 O15 2.362(4) . ?
Dy1 N3 2.568(4) 2_765 ?
Dy1 O4 2.360(4) 2_765 ?
Dy2 Dy3 3.5857(4) . ?
Dy2 O3 2.359(4) . ?
Dy2 O10 2.463(3) 2_765 ?
Dy2 O11 2.382(3) . ?
Dy2 O5 2.367(4) . ?
Dy2 O2 2.420(3) . ?
Dy2 O6 2.374(4) . ?
Dy2 O14 2.320(4) . ?
Dy2 N1 2.507(4) . ?
Dy3 O11 2.559(4) . ?
Dy3 O2 2.408(4) . ?
Dy3 O14 2.399(4) . ?
Dy3 O7 2.378(4) . ?
Dy3 O1 2.614(4) . ?
Dy3 O8 2.370(4) . ?
Dy3 O13 2.626(4) . ?
Dy3 N5 2.571(6) . ?
Dy3 O4 2.278(3) 2_765 ?
O3 C9 1.322(6) . ?
O10 C32 1.434(6) . ?
O11 C33 1.427(6) . ?
O5 C17 1.264(6) . ?
O2 C7 1.320(6) . ?
O6 C19 1.285(7) . ?
O14 C29 1.419(6) . ?
O7 C22 1.271(7) . ?
O1 C2 1.389(6) . ?
O1 C1 1.423(7) . ?
O8 C24 1.268(7) . ?
N4 C31 1.464(7) . ?
O15 C35 1.232(8) . ?
N2 N1 1.394(6) . ?
N2 C9 1.284(7) . ?
N3 C14 1.328(7) . ?
N3 C10 1.341(7) . ?
N1 C8 1.282(7) . ?
O13 C28 1.426(8) . ?
O9 C30 1.389(7) . ?
N5 C27 1.485(8) . ?
C17 C18 1.393(8) . ?
C17 C16 1.509(8) . ?
C8 C6 1.440(8) . ?
C31 C30 1.531(7) . ?
C31 C32 1.517(7) . ?
C31 C33 1.541(7) . ?
C7 C6 1.413(7) . ?
C7 C2 1.417(8) . ?
C9 C10 1.479(8) . ?
C6 C5 1.406(7) . ?
C29 C27 1.537(8) . ?
C14 C13 1.404(7) . ?
C14 C15 1.466(7) . ?
C2 C3 1.372(8) . ?
C10 C11 1.378(7) . ?
C5 C4 1.368(8) . ?
C24 C23 1.400(9) . ?
C24 C25 1.489(9) . ?
C3 C4 1.390(8) . ?
C19 C18 1.385(9) . ?
C19 C20 1.517(8) . ?
O12 C26 1.420(9) . ?
C23 C22 1.400(9) . ?
C28 C27 1.465(9) . ?
C27 C26 1.546(9) . ?
C22 C21 1.501(10) . ?
C11 C12 1.392(9) . ?
C12 C13 1.372(9) . ?
C35 C34B 1.317(11) . ?
C35 C36B 1.382(11) . ?
C35 C34A 1.62(3) . ?
C35 C36A 1.09(2) . ?
O4 C15 1.426(6) . ?

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
Dy3 Dy1 Dy2 58.169(7) . . ?
O3 Dy1 Dy2 138.08(8) 2_765 . ?
O3 Dy1 Dy3 163.75(8) 2_765 . ?
O3 Dy1 O10 69.01(11) 2_765 . ?
O3 Dy1 O10 97.11(11) 2_765 2_765 ?
O3 Dy1 O14 148.35(11) 2_765 . ?
O3 Dy1 N4 92.65(13) 2_765 . ?
O3 Dy1 N3 63.49(13) 2_765 2_765 ?
O10 Dy1 Dy2 83.11(7) . . ?
O10 Dy1 Dy2 41.50(8) 2_765 . ?
O10 Dy1 Dy3 98.94(8) 2_765 . ?
O10 Dy1 Dy3 120.68(7) . . ?
O10 Dy1 O10 64.83(13) 2_765 . ?
O10 Dy1 O14 67.50(11) 2_765 . ?
O10 Dy1 O14 122.02(10) . . ?
O10 Dy1 N4 120.55(13) 2_765 . ?
O10 Dy1 N3 155.45(12) 2_765 2_765 ?
O11 Dy1 Dy2 38.93(8) . . ?
O11 Dy1 Dy3 43.40(9) . . ?
O11 Dy1 O3 146.10(12) . 2_765 ?
O11 Dy1 O10 74.29(11) . 2_765 ?
O11 Dy1 O10 77.85(11) . . ?
O11 Dy1 O14 58.82(11) . . ?
O11 Dy1 N4 66.13(13) . . ?
O11 Dy1 O15 134.13(14) . . ?
O11 Dy1 N3 130.23(13) . 2_765 ?
O11 Dy1 O4 74.35(12) . 2_765 ?
O14 Dy1 Dy2 38.93(7) . . ?
O14 Dy1 Dy3 40.57(7) . . ?
N4 Dy1 Dy2 103.34(9) . . ?
N4 Dy1 Dy3 81.38(10) . . ?
N4 Dy1 O10 64.81(13) . . ?
N4 Dy1 O14 118.99(12) . . ?
O15 Dy1 Dy2 103.89(10) . . ?
O15 Dy1 Dy3 99.77(11) . . ?
O15 Dy1 O3 77.46(14) . 2_765 ?
O15 Dy1 O10 134.46(14) . . ?
O15 Dy1 O10 90.66(13) . 2_765 ?
O15 Dy1 O14 75.34(13) . . ?
O15 Dy1 N4 148.40(14) . . ?
O15 Dy1 N3 71.24(14) . 2_765 ?
N3 Dy1 Dy2 157.55(10) 2_765 . ?
N3 Dy1 Dy3 100.36(10) 2_765 . ?
N3 Dy1 O10 116.34(13) 2_765 . ?
N3 Dy1 O14 120.81(13) 2_765 . ?
N3 Dy1 N4 77.46(14) 2_765 . ?
O4 Dy1 Dy2 94.48(8) 2_765 . ?
O4 Dy1 Dy3 36.56(8) 2_765 . ?
O4 Dy1 O3 127.27(12) 2_765 2_765 ?
O4 Dy1 O10 137.48(12) 2_765 . ?
O4 Dy1 O10 133.74(12) 2_765 2_765 ?
O4 Dy1 O14 67.35(11) 2_765 . ?
O4 Dy1 N4 74.69(14) 2_765 . ?
O4 Dy1 O15 87.47(15) 2_765 . ?
O4 Dy1 N3 63.81(13) 2_765 2_765 ?
Dy3 Dy2 Dy1 60.904(7) . . ?
O3 Dy2 Dy1 96.46(8) . . ?
O3 Dy2 Dy3 134.49(9) . . ?
O3 Dy2 O10 72.40(11) . 2_765 ?
O3 Dy2 O11 91.70(12) . . ?
O3 Dy2 O5 73.58(13) . . ?
O3 Dy2 O2 116.49(12) . . ?
O3 Dy2 O6 132.27(12) . . ?
O3 Dy2 N1 63.46(13) . . ?
O10 Dy2 Dy1 41.54(8) 2_765 . ?
O10 Dy2 Dy3 101.68(8) 2_765 . ?
O10 Dy2 N1 135.72(13) 2_765 . ?
O11 Dy2 Dy1 37.77(8) . . ?
O11 Dy2 Dy3 45.45(8) . . ?
O11 Dy2 O10 73.30(11) . 2_765 ?
O11 Dy2 O2 66.80(11) . . ?
O11 Dy2 N1 110.15(13) . . ?
O5 Dy2 Dy1 122.27(8) . . ?
O5 Dy2 Dy3 151.80(10) . . ?
O5 Dy2 O10 82.79(11) . 2_765 ?
O5 Dy2 O11 154.92(12) . . ?
O5 Dy2 O2 137.88(12) . . ?
O5 Dy2 O6 71.59(13) . . ?
O5 Dy2 N1 81.78(13) . . ?
O2 Dy2 Dy1 98.09(8) . . ?
O2 Dy2 Dy3 41.92(8) . . ?
O2 Dy2 O10 139.08(11) . 2_765 ?
O2 Dy2 N1 69.66(13) . . ?
O6 Dy2 Dy1 129.70(9) . . ?
O6 Dy2 Dy3 85.73(9) . . ?
O6 Dy2 O10 132.50(12) . 2_765 ?
O6 Dy2 O11 131.01(13) . . ?
O6 Dy2 O2 73.43(13) . . ?
O6 Dy2 N1 80.05(14) . . ?
O14 Dy2 Dy1 48.47(9) . . ?
O14 Dy2 Dy3 41.37(9) . . ?
O14 Dy2 O3 144.35(12) . . ?
O14 Dy2 O10 75.06(12) . 2_765 ?
O14 Dy2 O11 65.01(12) . . ?
O14 Dy2 O5 116.35(13) . . ?
O14 Dy2 O2 80.22(12) . . ?
O14 Dy2 O6 81.41(13) . . ?
O14 Dy2 N1 148.05(14) . . ?
N1 Dy2 Dy1 144.56(11) . . ?
N1 Dy2 Dy3 111.23(10) . . ?
Dy2 Dy3 Dy1 60.927(7) . . ?
O11 Dy3 Dy1 38.56(7) . . ?
O11 Dy3 Dy2 41.55(8) . . ?
O11 Dy3 O1 117.37(12) . . ?
O11 Dy3 O13 116.28(12) . . ?
O11 Dy3 N5 120.65(15) . . ?
O2 Dy3 Dy1 98.34(8) . . ?
O2 Dy3 Dy2 42.17(8) . . ?
O2 Dy3 O11 64.23(11) . . ?
O2 Dy3 O1 62.94(12) . . ?
O2 Dy3 O13 67.92(13) . . ?
O2 Dy3 N5 126.04(14) . . ?
O14 Dy3 Dy1 48.55(9) . . ?
O14 Dy3 Dy2 39.74(9) . . ?
O14 Dy3 O11 61.19(12) . . ?
O14 Dy3 O2 78.92(12) . . ?
O14 Dy3 O1 133.02(12) . . ?
O14 Dy3 O13 70.59(13) . . ?
O14 Dy3 N5 64.78(15) . . ?
O7 Dy3 Dy1 93.74(10) . . ?
O7 Dy3 Dy2 116.56(10) . . ?
O7 Dy3 O11 81.28(13) . . ?
O7 Dy3 O2 97.59(13) . . ?
O7 Dy3 O14 140.08(13) . . ?
O7 Dy3 O1 74.83(13) . . ?
O7 Dy3 O13 145.04(13) . . ?
O7 Dy3 N5 135.90(15) . . ?
O1 Dy3 Dy1 155.65(9) . . ?
O1 Dy3 Dy2 104.55(9) . . ?
O1 Dy3 O13 70.25(13) . . ?
O8 Dy3 Dy1 122.54(9) . . ?
O8 Dy3 Dy2 170.32(10) . . ?
O8 Dy3 O11 147.21(12) . . ?
O8 Dy3 O2 138.09(12) . . ?
O8 Dy3 O14 134.09(13) . . ?
O8 Dy3 O7 72.91(14) . . ?
O8 Dy3 O1 75.25(12) . . ?
O8 Dy3 O13 96.34(14) . . ?
O8 Dy3 N5 70.05(15) . . ?
O13 Dy3 Dy1 119.11(9) . . ?
O13 Dy3 Dy2 74.73(10) . . ?
N5 Dy3 Dy1 86.65(13) . . ?
N5 Dy3 Dy2 102.03(12) . . ?
N5 Dy3 O1 116.63(16) . . ?
N5 Dy3 O13 63.17(15) . . ?
O4 Dy3 Dy1 38.10(9) 2_765 . ?
O4 Dy3 Dy2 98.75(9) 2_765 . ?
O4 Dy3 O11 71.31(12) 2_765 . ?
O4 Dy3 O2 135.21(12) 2_765 . ?
O4 Dy3 O14 75.39(12) 2_765 . ?
O4 Dy3 O7 80.31(14) 2_765 . ?
O4 Dy3 O1 151.55(13) 2_765 . ?
O4 Dy3 O8 84.49(13) 2_765 . ?
O4 Dy3 O13 132.78(14) 2_765 . ?
O4 Dy3 N5 73.18(16) 2_765 . ?
Dy2 O3 Dy1 114.02(14) . 2_765 ?
C9 O3 Dy1 125.0(3) . 2_765 ?
C9 O3 Dy2 112.9(3) . . ?
Dy1 O10 Dy1 115.17(13) 2_765 . ?
Dy2 O10 Dy1 104.24(12) 2_765 . ?
Dy2 O10 Dy1 96.96(12) 2_765 2_765 ?
C32 O10 Dy1 112.5(3) . 2_765 ?
C32 O10 Dy1 114.2(3) . . ?
C32 O10 Dy2 112.1(3) . 2_765 ?
Dy1 O11 Dy2 103.30(13) . . ?
Dy1 O11 Dy3 98.05(12) . . ?
Dy2 O11 Dy3 92.99(12) . . ?
C33 O11 Dy1 119.0(3) . . ?
C33 O11 Dy2 116.8(3) . . ?
C33 O11 Dy3 122.0(3) . . ?
C17 O5 Dy2 131.3(3) . . ?
Dy3 O2 Dy2 95.91(12) . . ?
C7 O2 Dy2 134.7(3) . . ?
C7 O2 Dy3 124.7(3) . . ?
C19 O6 Dy2 131.9(4) . . ?
Dy2 O14 Dy1 92.59(12) . . ?
Dy2 O14 Dy3 98.89(13) . . ?
Dy3 O14 Dy1 90.88(11) . . ?
C29 O14 Dy1 123.0(3) . . ?
C29 O14 Dy2 122.4(3) . . ?
C29 O14 Dy3 121.3(3) . . ?
C22 O7 Dy3 135.1(4) . . ?
C2 O1 Dy3 117.4(3) . . ?
C2 O1 C1 115.4(4) . . ?
C1 O1 Dy3 127.2(4) . . ?
C24 O8 Dy3 135.9(4) . . ?
C31 N4 Dy1 104.0(3) . . ?
C35 O15 Dy1 158.3(4) . . ?
C9 N2 N1 111.3(4) . . ?
C14 N3 Dy1 119.9(3) . 2_765 ?
C14 N3 C10 119.8(4) . . ?
C10 N3 Dy1 120.0(3) . 2_765 ?
N2 N1 Dy2 112.4(3) . . ?
C8 N1 Dy2 131.7(4) . . ?
C8 N1 N2 114.1(4) . . ?
C28 O13 Dy3 117.7(4) . . ?
C27 N5 Dy3 107.2(4) . . ?
O5 C17 C18 124.9(5) . . ?
O5 C17 C16 115.7(5) . . ?
C18 C17 C16 119.4(5) . . ?
N1 C8 C6 126.1(5) . . ?
N4 C31 C30 114.8(4) . . ?
N4 C31 C32 105.9(4) . . ?
N4 C31 C33 108.2(4) . . ?
C30 C31 C33 105.3(4) . . ?
C32 C31 C30 109.7(5) . . ?
C32 C31 C33 113.1(4) . . ?
O2 C7 C6 124.3(5) . . ?
O2 C7 C2 119.5(5) . . ?
C6 C7 C2 116.2(5) . . ?
O3 C9 C10 116.9(4) . . ?
N2 C9 O3 125.2(5) . . ?
N2 C9 C10 117.8(4) . . ?
C7 C6 C8 123.0(5) . . ?
C5 C6 C8 116.4(5) . . ?
C5 C6 C7 120.3(5) . . ?
O14 C29 C27 113.0(4) . . ?
N3 C14 C13 121.2(5) . . ?
N3 C14 C15 116.9(5) . . ?
C13 C14 C15 121.9(5) . . ?
O1 C2 C7 113.7(4) . . ?
C3 C2 O1 123.4(5) . . ?
C3 C2 C7 122.9(5) . . ?
N3 C10 C9 114.0(4) . . ?
N3 C10 C11 122.5(5) . . ?
C11 C10 C9 123.5(5) . . ?
C4 C5 C6 121.0(5) . . ?
O8 C24 C23 123.6(6) . . ?
O8 C24 C25 116.6(6) . . ?
C23 C24 C25 119.8(6) . . ?
O9 C30 C31 114.8(5) . . ?
O10 C32 C31 112.1(4) . . ?
C2 C3 C4 119.4(6) . . ?
O6 C19 C18 124.6(6) . . ?
O6 C19 C20 115.2(6) . . ?
C18 C19 C20 120.2(5) . . ?
C5 C4 C3 120.1(5) . . ?
O11 C33 C31 114.0(4) . . ?
C19 C18 C17 124.4(5) . . ?
C24 C23 C22 126.1(6) . . ?
O13 C28 C27 109.9(5) . . ?
N5 C27 C29 105.4(5) . . ?
N5 C27 C26 107.3(5) . . ?
C29 C27 C26 111.1(5) . . ?
C28 C27 N5 108.4(5) . . ?
C28 C27 C29 113.7(5) . . ?
C28 C27 C26 110.5(6) . . ?
O7 C22 C23 124.8(6) . . ?
O7 C22 C21 116.5(6) . . ?
C23 C22 C21 118.7(6) . . ?
C10 C11 C12 117.9(6) . . ?
C13 C12 C11 119.8(6) . . ?
C12 C13 C14 118.8(6) . . ?
O12 C26 C27 109.6(6) . . ?
O15 C35 C34B 125.5(9) . . ?
O15 C35 C36B 114.8(8) . . ?
O15 C35 C34A 94.7(10) . . ?
C34B C35 C36B 119.7(9) . . ?
C36A C35 O15 150.3(18) . . ?
C36A C35 C34A 102.8(17) . . ?
Dy3 O4 Dy1 105.34(13) 2_765 2_765 ?
C15 O4 Dy1 126.5(3) . 2_765 ?
C15 O4 Dy3 127.7(3) . 2_765 ?
O4 C15 C14 111.7(4) . . ?

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
Dy1 O3 C9 N2 180.0(4) 2_765 . . . ?
Dy1 O3 C9 C10 -3.6(7) 2_765 . . . ?
Dy1 O10 C32 C31 15.0(5) . . . . ?
Dy1 O10 C32 C31 -118.6(4) 2_765 . . . ?
Dy1 O11 C33 C31 11.9(5) . . . . ?
Dy1 O14 C29 C27 -117.3(4) . . . . ?
Dy1 N4 C31 C30 -170.8(4) . . . . ?
Dy1 N4 C31 C32 68.0(4) . . . . ?
Dy1 N4 C31 C33 -53.5(4) . . . . ?
Dy1 O15 C35 C34B -76.9(18) . . . . ?
Dy1 O15 C35 C36B 106.6(15) . . . . ?
Dy1 O15 C35 C34A -78(2) . . . . ?
Dy1 O15 C35 C36A 48(4) . . . . ?
Dy1 N3 C14 C13 172.3(5) 2_765 . . . ?
Dy1 N3 C14 C15 -6.9(7) 2_765 . . . ?
Dy1 N3 C10 C9 7.8(6) 2_765 . . . ?
Dy1 N3 C10 C11 -172.2(5) 2_765 . . . ?
Dy1 O4 C15 C14 -11.7(7) 2_765 . . . ?
Dy2 O3 C9 N2 -33.5(7) . . . . ?
Dy2 O3 C9 C10 143.0(4) . . . . ?
Dy2 O10 C32 C31 133.3(3) 2_765 . . . ?
Dy2 O11 C33 C31 137.0(3) . . . . ?
Dy2 O5 C17 C18 27.6(8) . . . . ?
Dy2 O5 C17 C16 -151.4(4) . . . . ?
Dy2 O2 C7 C6 24.5(8) . . . . ?
Dy2 O2 C7 C2 -159.3(4) . . . . ?
Dy2 O6 C19 C18 -19.4(8) . . . . ?
Dy2 O6 C19 C20 161.8(4) . . . . ?
Dy2 O14 C29 C27 124.2(4) . . . . ?
Dy2 N1 C8 C6 -22.0(8) . . . . ?
Dy3 O11 C33 C31 -110.5(4) . . . . ?
Dy3 O2 C7 C6 173.8(4) . . . . ?
Dy3 O2 C7 C2 -10.1(7) . . . . ?
Dy3 O14 C29 C27 -2.7(6) . . . . ?
Dy3 O7 C22 C23 3.3(9) . . . . ?
Dy3 O7 C22 C21 -176.2(5) . . . . ?
Dy3 O1 C2 C7 11.3(6) . . . . ?
Dy3 O1 C2 C3 -169.3(5) . . . . ?
Dy3 O8 C24 C23 -15.0(9) . . . . ?
Dy3 O8 C24 C25 165.8(4) . . . . ?
Dy3 O13 C28 C27 16.6(7) . . . . ?
Dy3 N5 C27 C29 -57.1(5) . . . . ?
Dy3 N5 C27 C28 65.0(5) . . . . ?
Dy3 N5 C27 C26 -175.6(4) . . . . ?
Dy3 O4 C15 C14 176.5(4) 2_765 . . . ?
O3 C9 C10 N3 -3.1(7) . . . . ?
O3 C9 C10 C11 176.9(6) . . . . ?
O5 C17 C18 C19 2.9(9) . . . . ?
O2 C7 C6 C8 5.2(9) . . . . ?
O2 C7 C6 C5 179.7(5) . . . . ?
O2 C7 C2 O1 -1.9(7) . . . . ?
O2 C7 C2 C3 178.7(5) . . . . ?
O6 C19 C18 C17 -7.0(9) . . . . ?
O14 C29 C27 N5 41.0(6) . . . . ?
O14 C29 C27 C28 -77.6(6) . . . . ?
O14 C29 C27 C26 156.9(5) . . . . ?
O1 C2 C3 C4 -176.2(5) . . . . ?
O8 C24 C23 C22 3.6(10) . . . . ?
N4 C31 C30 O9 -68.2(7) . . . . ?
N4 C31 C32 O10 -56.7(5) . . . . ?
N4 C31 C33 O11 31.8(6) . . . . ?
N2 N1 C8 C6 175.1(5) . . . . ?
N2 C9 C10 N3 173.6(5) . . . . ?
N2 C9 C10 C11 -6.4(9) . . . . ?
N3 C14 C13 C12 1.8(10) . . . . ?
N3 C14 C15 O4 11.2(8) . . . . ?
N3 C10 C11 C12 -1.9(10) . . . . ?
N1 N2 C9 O3 3.7(8) . . . . ?
N1 N2 C9 C10 -172.7(5) . . . . ?
N1 C8 C6 C7 -5.4(9) . . . . ?
N1 C8 C6 C5 179.9(6) . . . . ?
O13 C28 C27 N5 -53.7(7) . . . . ?
O13 C28 C27 C29 63.1(7) . . . . ?
O13 C28 C27 C26 -171.1(5) . . . . ?
N5 C27 C26 O12 -180.0(6) . . . . ?
C8 C6 C5 C4 174.3(6) . . . . ?
C7 C6 C5 C4 -0.5(9) . . . . ?
C7 C2 C3 C4 3.2(9) . . . . ?
C9 N2 N1 Dy2 25.8(5) . . . . ?
C9 N2 N1 C8 -167.9(5) . . . . ?
C9 C10 C11 C12 178.1(6) . . . . ?
C6 C7 C2 O1 174.5(5) . . . . ?
C6 C7 C2 C3 -4.9(8) . . . . ?
C6 C5 C4 C3 -1.3(9) . . . . ?
C29 C27 C26 O12 65.3(8) . . . . ?
C14 N3 C10 C9 -178.3(5) . . . . ?
C14 N3 C10 C11 1.8(9) . . . . ?
C2 C7 C6 C8 -171.1(5) . . . . ?
C2 C7 C6 C5 3.5(8) . . . . ?
C2 C3 C4 C5 0.1(10) . . . . ?
C10 N3 C14 C13 -1.7(9) . . . . ?
C10 N3 C14 C15 179.1(5) . . . . ?
C10 C11 C12 C13 2.0(11) . . . . ?
C24 C23 C22 O7 2.0(10) . . . . ?
C24 C23 C22 C21 -178.6(6) . . . . ?
C30 C31 C32 O10 178.9(4) . . . . ?
C30 C31 C33 O11 155.1(4) . . . . ?
C32 C31 C30 O9 50.9(7) . . . . ?
C32 C31 C33 O11 -85.1(5) . . . . ?
C33 C31 C30 O9 173.0(5) . . . . ?
C33 C31 C32 O10 61.6(6) . . . . ?
C16 C17 C18 C19 -178.1(6) . . . . ?
C28 C27 C26 O12 -61.9(8) . . . . ?
C11 C12 C13 C14 -1.9(12) . . . . ?
C1 O1 C2 C7 -167.6(6) . . . . ?
C1 O1 C2 C3 11.8(9) . . . . ?
C13 C14 C15 O4 -168.0(6) . . . . ?
C20 C19 C18 C17 171.7(6) . . . . ?
C25 C24 C23 C22 -177.3(6) . . . . ?
C15 C14 C13 C12 -179.1(7) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
