# 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 2018

####################################################################### 
# 
# 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_mo_3
_database_code_depnum_ccdc_archive 'CCDC 1861994'
_audit_update_record             
;
2018-08-14 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_audit_creation_date             2018-08-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C70 H72 Dy2 N6 O8), 2(C2 H3 N)'
_chemical_formula_sum            'C144 H150 Dy4 N14 O16'
_chemical_formula_weight         2982.77
_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                   17.1171(8)
_cell_length_b                   20.3908(10)
_cell_length_c                   23.5026(12)
_cell_angle_alpha                110.327(2)
_cell_angle_beta                 93.328(2)
_cell_angle_gamma                109.820(2)
_cell_volume                     7091.4(6)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9820
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.32
_cell_measurement_theta_min      2.34
_shelx_estimated_absorpt_T_max   0.798
_shelx_estimated_absorpt_T_min   0.575
_exptl_absorpt_coefficient_mu    2.147
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5926
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0823 before and 0.0618 after correction.
The Ratio of minimum to maximum transmission is 0.7952.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.397
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3008
_exptl_crystal_size_max          0.29
_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  0.1005
_diffrn_reflns_av_unetI/netI     0.0812
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            109179
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.441
_diffrn_reflns_theta_min         2.092
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_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                17111
_reflns_number_total             26067
_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         2.611
_refine_diff_density_min         -1.328
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1633
_refine_ls_number_reflns         26067
_refine_ls_number_restraints     98
_refine_ls_R_factor_all          0.0992
_refine_ls_R_factor_gt           0.0525
_refine_ls_restrained_S_all      1.029
_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)+(0.0864P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1265
_refine_ls_wR_factor_ref         0.1527
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C7-C6
 1.42 with sigma of 0.02
 O8-H8
 0.82 with sigma of 0.02
3. Rigid bond restraints
 C78, C79, C77
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C21, C22, C17
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C78 \\sim C79 \\sim C76 \\sim C77: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C78) \\sim Ueq, Uanis(C77) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C21) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C18)
\\sim Ueq, Uanis(C17) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(N0AA) \\sim Ueq, Uanis(C0AA) \\sim Ueq, Uanis(C1AA) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C138) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N3) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5.a Ternary CH refined with riding coordinates:
 O16(H16)
5.b Aromatic/amide H refined with riding coordinates:
 C135(H135), C116(H116), C101(H101), C25(H25), C42(H42), C117(H117), C31(H31),
 C62(H62), C112(H112), C111(H111), C106(H106), C26(H26), C10(H10), C39(H39),
 C55(H55), C46(H46), C23(H23), C100(H100), C57(H57), C49(H49), C107(H107),
 C47(H47), C52(H52), C81(H81), C124(H124), C63(H63), C64(H64), C87(H87),
 C96(H96), C53(H53), C41(H41), C95(H95), C102(H102), C9(H9), C58(H58),
 C2AA(H2AA), C70(H70), C109(H109), C33(H33), C93(H93), C51(H51), C32(H32),
 C90(H90), C91(H91), C7(H7), C14(H14), C104(H104), C30(H30), C37(H37), C89(H89),
  C88(H88), C15(H15), C118(H118), C103(H103), C105(H105), C34(H34), C1(H1),
 C5(H5), C2(H2), C3(H3), C4(H4), C48(H48), C35(H35), C36(H36), C20(H20),
 C17(H17), C21(H21), C19(H19), C18(H18), C50(H50)
5.c Idealised Me refined as rotating group:
 C131(H13A,H13B,H13C), C65(H65A,H65B,H65C), C141(H14D,H14E,H14F), C127(H12A,
 H12B,H12C), C73(H73A,H73B,H73C), C130(H13D,H13E,H13F), C120(H12D,H12E,H12F),
 C66(H66A,H66B,H66C), C121(H12G,H12H,H12I), C84(H84A,H84B,H84C), C132(H13G,H13H,
 H13I), C85(H85A,H85B,H85C), C139(H13J,H13K,H13L), C76(H76A,H76B,H76C),
 C86(H86A,H86B,H86C), C140(H14A,H14B,H14C), C74(H74A,H74B,H74C), C67(H67A,H67B,
 H67C), C75(H75A,H75B,H75C), C138(H13M,H13N,H13O), C78(H78A,H78B,H78C),
 C77(H77A,H77B,H77C), C129(H12J,H12K,H12L), C128(H12M,H12N,H12O), C119(H11A,
 H11B,H11C), C1AA(H1AA,H1AB,H1AC)
;
_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
Dy3 Dy -0.37069(2) 0.43415(2) 0.43086(2) 0.02285(10) Uani 1 1 d . . . . .
Dy4 Dy -0.59352(2) 0.40283(2) 0.47038(2) 0.02184(10) Uani 1 1 d . . . . .
Dy1 Dy 0.12333(2) 0.04825(2) 0.01995(2) 0.02344(10) Uani 1 1 d . . . . .
Dy2 Dy 0.00704(2) 0.16736(2) 0.07347(2) 0.02431(10) Uani 1 1 d . . . . .
O13 O -0.3747(3) 0.3227(3) 0.3579(2) 0.0263(12) Uani 1 1 d . . . . .
O3 O 0.1190(3) -0.0600(3) -0.0653(2) 0.0234(11) Uani 1 1 d . . . . .
O2 O 0.1452(3) 0.1803(2) 0.0535(2) 0.0215(11) Uani 1 1 d . . . . .
O12 O -0.3933(3) 0.4413(3) 0.3345(2) 0.0284(12) Uani 1 1 d . . . . .
O6 O 0.1937(3) 0.0093(3) 0.0813(2) 0.0304(12) Uani 1 1 d . . . . .
O10 O -0.3081(3) 0.5687(3) 0.4636(2) 0.0241(11) Uani 1 1 d . . . . .
O9 O -0.6391(3) 0.4985(3) 0.4615(2) 0.0262(12) Uani 1 1 d . . . . .
O11 O -0.4883(3) 0.3496(3) 0.4546(2) 0.0209(11) Uani 1 1 d . . . . .
O14 O -0.6434(3) 0.3471(3) 0.3639(2) 0.0270(12) Uani 1 1 d . . . . .
O1 O 0.0653(3) 0.0929(3) 0.1075(2) 0.0261(12) Uani 1 1 d . . . . .
O5 O -0.0838(3) 0.2314(3) 0.0919(2) 0.0290(12) Uani 1 1 d . . . . .
O4 O 0.0077(3) 0.2162(3) -0.0031(2) 0.0311(13) Uani 1 1 d . . . . .
N10 N -0.2241(4) 0.4831(3) 0.4045(3) 0.0267(14) Uani 1 1 d . . . . .
O7 O 0.2663(3) 0.0909(3) 0.0165(3) 0.0395(15) Uani 1 1 d . . . . .
N8 N -0.7132(4) 0.5984(3) 0.4974(3) 0.0268(15) Uani 1 1 d . . . . .
N12 N -0.5539(4) 0.3666(3) 0.5579(3) 0.0225(14) Uani 1 1 d . . . . .
O8 O -0.0074(3) 0.0607(3) -0.0120(2) 0.0213(11) Uani 1 1 d D . . . .
C44 C -0.6985(5) 0.5779(4) 0.4381(3) 0.0223(16) Uani 1 1 d . . . . .
N7 N -0.7248(4) 0.6168(4) 0.2964(3) 0.0330(16) Uani 1 1 d . . . . .
C59 C 0.1569(4) -0.0468(4) -0.1099(3) 0.0226(16) Uani 1 1 d . . . . .
O15 O -0.6785(3) 0.2777(3) 0.4452(2) 0.0311(13) Uani 1 1 d . . . . .
N11 N -0.4563(4) 0.1893(4) 0.5995(3) 0.0377(18) Uani 1 1 d . . . . .
N5 N 0.2488(5) -0.0096(4) -0.2660(3) 0.0392(18) Uani 1 1 d . . . . .
C131 C -0.7660(6) 0.3001(5) 0.2519(4) 0.045(2) Uani 1 1 d . . . . .
H13A H -0.817689 0.265086 0.257407 0.068 Uiso 1 1 calc GR . . . .
H13B H -0.776053 0.302448 0.211247 0.068 Uiso 1 1 calc GR . . . .
H13C H -0.750255 0.350691 0.284403 0.068 Uiso 1 1 calc GR . . . .
C113 C -0.4847(5) 0.3056(4) 0.4850(3) 0.0221(16) Uani 1 1 d . . . . .
C126 C -0.3962(5) 0.2109(4) 0.2707(4) 0.035(2) Uani 1 1 d . . . . .
C135 C -0.6986(5) 0.2156(4) 0.3371(4) 0.0278(18) Uani 1 1 d . . . . .
H135 H -0.712860 0.168215 0.303565 0.033 Uiso 1 1 calc R . . . .
C43 C -0.6568(5) 0.5256(4) 0.4210(3) 0.0234(16) Uani 1 1 d . . . . .
C116 C -0.5322(6) 0.2952(5) 0.6347(4) 0.035(2) Uani 1 1 d . . . . .
H116 H -0.524839 0.271064 0.661491 0.042 Uiso 1 1 calc R . . . .
N4 N 0.1160(4) 0.3044(3) 0.1201(3) 0.0279(15) Uani 1 1 d . . . . .
C65 C 0.0026(6) 0.2404(6) -0.1174(4) 0.052(3) Uani 1 1 d . . . . .
H65A H 0.019553 0.199350 -0.116654 0.078 Uiso 1 1 calc GR . . . .
H65B H 0.029462 0.260242 -0.146917 0.078 Uiso 1 1 calc GR . . . .
H65C H -0.059131 0.221027 -0.130130 0.078 Uiso 1 1 calc GR . . . .
C99 C -0.1186(5) 0.5928(4) 0.3950(4) 0.0312(19) Uani 1 1 d . . . . .
N9 N -0.0157(4) 0.7012(4) 0.3836(3) 0.0380(17) Uani 1 1 d . . . . .
N3 N 0.3862(6) 0.4654(5) 0.0968(5) 0.080(3) Uani 1 1 d . U . . .
C11 C 0.0481(5) 0.0828(4) 0.1591(4) 0.0286(18) Uani 1 1 d . . . . .
C61 C 0.1929(5) 0.0306(4) -0.1730(4) 0.0273(17) Uani 1 1 d . . . . .
N2 N 0.0113(4) 0.1913(4) 0.1868(3) 0.0324(16) Uani 1 1 d . . . . .
C114 C -0.5143(4) 0.3167(4) 0.5416(3) 0.0198(15) Uani 1 1 d . . . . .
C28 C 0.1913(5) 0.3151(4) 0.1005(3) 0.0263(17) Uani 1 1 d . . . . .
C101 C -0.1082(5) 0.4704(4) 0.3545(4) 0.0311(19) Uani 1 1 d . . . . .
H101 H -0.080419 0.438368 0.334004 0.037 Uiso 1 1 calc R . . . .
C133 C -0.6941(5) 0.2723(4) 0.2558(4) 0.0313(19) Uani 1 1 d . . . . .
C27 C 0.2065(5) 0.2486(4) 0.0659(3) 0.0229(17) Uani 1 1 d . . . . .
C22 C 0.5225(6) 0.5552(6) 0.0995(6) 0.072(4) Uani 1 1 d . U . . .
C29 C 0.2537(5) 0.3869(4) 0.1123(4) 0.035(2) Uani 1 1 d . . . . .
C25 C 0.3418(5) 0.3288(5) 0.0574(5) 0.044(2) Uani 1 1 d . . . . .
H25 H 0.392283 0.332727 0.041570 0.053 Uiso 1 1 calc R . . . .
C141 C -0.1539(8) 0.6284(8) 0.5955(6) 0.095(5) Uani 1 1 d . . . . .
H14D H -0.134408 0.682982 0.619908 0.142 Uiso 1 1 calc GR . . . .
H14E H -0.216024 0.606145 0.585930 0.142 Uiso 1 1 calc GR . . . .
H14F H -0.132539 0.619840 0.556887 0.142 Uiso 1 1 calc GR . . . .
C42 C -0.6413(5) 0.5040(4) 0.3617(4) 0.0300(18) Uani 1 1 d . . . . .
H42 H -0.616079 0.467739 0.348408 0.036 Uiso 1 1 calc R . . . .
C134 C -0.6749(5) 0.2800(4) 0.3235(4) 0.0266(17) Uani 1 1 d . . . . .
C117 C -0.5700(6) 0.3460(5) 0.6516(4) 0.038(2) Uani 1 1 d . . . . .
H117 H -0.589129 0.357872 0.689606 0.046 Uiso 1 1 calc R . . . .
C31 C 0.1610(6) 0.4406(5) 0.1648(5) 0.053(3) Uani 1 1 d . . . . .
H31 H 0.147465 0.482925 0.186438 0.064 Uiso 1 1 calc R . . . .
C62 C 0.1943(6) 0.0959(5) -0.1816(4) 0.037(2) Uani 1 1 d . . . . .
H62 H 0.214101 0.105880 -0.215854 0.044 Uiso 1 1 calc R . . . .
C110 C -0.4674(5) 0.2231(4) 0.5578(4) 0.0298(18) Uani 1 1 d . . . . .
C12 C 0.0187(5) 0.1346(5) 0.2022(4) 0.0307(19) Uani 1 1 d . . . . .
C45 C -0.7221(5) 0.6063(4) 0.3962(3) 0.0283(18) Uani 1 1 d . . . . .
C112 C -0.4511(5) 0.2505(4) 0.4654(4) 0.0284(18) Uani 1 1 d . . . . .
H112 H -0.432788 0.239935 0.427026 0.034 Uiso 1 1 calc R . . . .
C40 C -0.7012(5) 0.5860(4) 0.3372(4) 0.0315(19) Uani 1 1 d . . . . .
C56 C 0.2206(5) -0.0231(4) -0.2142(4) 0.0326(19) Uani 1 1 d . . . . .
C111 C -0.4437(5) 0.2095(4) 0.5019(4) 0.0301(18) Uani 1 1 d . . . . .
H111 H -0.421364 0.171297 0.486902 0.036 Uiso 1 1 calc R . . . .
C106 C -0.4664(8) -0.0228(5) 0.6459(5) 0.071(4) Uani 1 1 d . . . . .
H106 H -0.480673 -0.075887 0.630714 0.085 Uiso 1 1 calc R . . . .
C122 C -0.3752(5) 0.4485(5) 0.2367(4) 0.037(2) Uani 1 1 d . . . . .
C26 C 0.2813(5) 0.2568(4) 0.0457(4) 0.0319(19) Uani 1 1 d . . . . .
H26 H 0.292277 0.213074 0.023581 0.038 Uiso 1 1 calc R . . . .
C98 C -0.1926(5) 0.5589(4) 0.4141(4) 0.0279(18) Uani 1 1 d . . . . .
C8 C 0.0035(5) 0.0660(6) 0.2696(4) 0.047(3) Uani 1 1 d . . . . .
C10 C 0.0568(5) 0.0257(5) 0.1737(4) 0.036(2) Uani 1 1 d . . . . .
H10 H 0.078459 -0.007976 0.147071 0.043 Uiso 1 1 calc R . . . .
C39 C -0.6768(6) 0.6345(4) 0.2606(4) 0.035(2) Uani 1 1 d . . . . .
H39 H -0.624028 0.628834 0.263150 0.041 Uiso 1 1 calc R . . . .
C127 C -0.3432(6) 0.1921(5) 0.3128(4) 0.038(2) Uani 1 1 d . . . . .
H12A H -0.282834 0.219438 0.315403 0.057 Uiso 1 1 calc GR . . . .
H12B H -0.356418 0.137474 0.295678 0.057 Uiso 1 1 calc GR . . . .
H12C H -0.356386 0.207289 0.354288 0.057 Uiso 1 1 calc GR . . . .
C55 C 0.2382(6) -0.0652(5) -0.3174(4) 0.037(2) Uani 1 1 d . . . . .
H55 H 0.210685 -0.115659 -0.320441 0.044 Uiso 1 1 calc R . . . .
C108 C -0.4538(6) 0.0872(5) 0.6262(4) 0.039(2) Uani 1 1 d . . . . .
C46 C -0.7658(6) 0.6547(5) 0.4169(4) 0.038(2) Uani 1 1 d . . . . .
H46 H -0.783360 0.675028 0.390161 0.046 Uiso 1 1 calc R . . . .
C23 C 0.4600(6) 0.4825(5) 0.0922(4) 0.042(2) Uani 1 1 d . . . . .
H23 H 0.479664 0.442321 0.082465 0.050 Uiso 1 1 calc R . . . .
C100 C -0.0754(5) 0.5454(5) 0.3647(4) 0.034(2) Uani 1 1 d . . . . .
H100 H -0.024316 0.566075 0.351796 0.041 Uiso 1 1 calc R . . . .
C57 C 0.2197(5) -0.0837(5) -0.1996(4) 0.034(2) Uani 1 1 d . . . . .
H57 H 0.241341 -0.118207 -0.225190 0.041 Uiso 1 1 calc R . . . .
C137 C -0.7390(6) 0.1428(4) 0.4062(4) 0.038(2) Uani 1 1 d . . . . .
C49 C 0.2968(7) 0.0187(6) -0.3732(5) 0.053(3) Uani 1 1 d . . . . .
H49 H 0.303298 0.062377 -0.337898 0.064 Uiso 1 1 calc R . . . .
C54 C 0.2677(6) -0.0522(5) -0.3709(4) 0.041(2) Uani 1 1 d . . . . .
C60 C 0.1624(4) 0.0186(4) -0.1213(3) 0.0215(16) Uani 1 1 d . . . . .
C136 C -0.7029(5) 0.2151(5) 0.3952(4) 0.0303(19) Uani 1 1 d . . . . .
C107 C -0.4679(8) 0.0122(5) 0.6055(5) 0.072(4) Uani 1 1 d . . . . .
H107 H -0.478951 -0.016589 0.562240 0.086 Uiso 1 1 calc R . . . .
C38 C -0.6990(6) 0.6633(4) 0.2154(4) 0.038(2) Uani 1 1 d . . . . .
C13 C -0.0003(5) 0.1265(5) 0.2573(4) 0.040(2) Uani 1 1 d . . . . .
C73 C -0.1498(7) 0.3290(6) 0.1699(5) 0.065(3) Uani 1 1 d . . . . .
H73A H -0.145619 0.286487 0.178523 0.098 Uiso 1 1 calc GR . . . .
H73B H -0.196681 0.340887 0.186571 0.098 Uiso 1 1 calc GR . . . .
H73C H -0.096690 0.373365 0.189313 0.098 Uiso 1 1 calc GR . . . .
C47 C -0.7827(6) 0.6723(5) 0.4736(4) 0.037(2) Uani 1 1 d . . . . .
H47 H -0.814014 0.703485 0.486652 0.044 Uiso 1 1 calc R . . . .
C52 C 0.2832(7) -0.1075(7) -0.4766(5) 0.061(3) Uani 1 1 d . . . . .
H52 H 0.280595 -0.150396 -0.511217 0.073 Uiso 1 1 calc R . . . .
C97 C -0.2377(5) 0.6028(4) 0.4446(4) 0.0327(19) Uani 1 1 d . . . . .
C130 C -0.6157(6) 0.3223(5) 0.2420(4) 0.040(2) Uani 1 1 d . . . . .
H13D H -0.628400 0.320416 0.200115 0.061 Uiso 1 1 calc GR . . . .
H13E H -0.569884 0.304315 0.244928 0.061 Uiso 1 1 calc GR . . . .
H13F H -0.597957 0.374634 0.272058 0.061 Uiso 1 1 calc GR . . . .
C83 C 0.2704(5) -0.0482(5) 0.1227(4) 0.039(2) Uani 1 1 d . . . . .
C81 C 0.3286(6) 0.0287(5) 0.0592(5) 0.045(2) Uani 1 1 d . . . . .
H81 H 0.378008 0.018630 0.065179 0.054 Uiso 1 1 calc R . . . .
C124 C -0.3781(5) 0.3346(4) 0.2620(4) 0.0310(18) Uani 1 1 d . . . . .
H124 H -0.372113 0.312213 0.220568 0.037 Uiso 1 1 calc R . . . .
C115 C -0.5042(5) 0.2777(4) 0.5788(3) 0.0253(17) Uani 1 1 d . . . . .
C63 C 0.1669(6) 0.1445(5) -0.1403(4) 0.039(2) Uani 1 1 d . . . . .
H63 H 0.166333 0.188268 -0.146039 0.047 Uiso 1 1 calc R . . . .
C142 C -0.1210(8) 0.5916(8) 0.6325(7) 0.087(4) Uani 1 1 d . . . . .
C64 C 0.1394(5) 0.1301(4) -0.0894(4) 0.0280(18) Uani 1 1 d . . . . .
H64 H 0.121914 0.165623 -0.060502 0.034 Uiso 1 1 calc R . . . .
N6 N 0.1365(4) 0.0691(3) -0.0796(3) 0.0248(14) Uani 1 1 d . . . . .
C87 C 0.0656(6) 0.8319(5) 0.3087(5) 0.058(3) Uani 1 1 d . . . . .
H87 H 0.014516 0.837424 0.297925 0.069 Uiso 1 1 calc R . . . .
C96 C -0.2115(6) 0.6764(5) 0.4530(5) 0.044(2) Uani 1 1 d . . . . .
H96 H -0.241772 0.706101 0.473203 0.052 Uiso 1 1 calc R . . . .
C94 C -0.0917(5) 0.6700(5) 0.4028(4) 0.040(2) Uani 1 1 d . . . . .
C80 C 0.3283(6) 0.0733(5) 0.0247(4) 0.044(2) Uani 1 1 d . . . . .
C69 C -0.0083(5) 0.2713(5) -0.0063(4) 0.0307(18) Uani 1 1 d . . . . .
C125 C -0.3805(5) 0.2941(4) 0.3000(3) 0.0251(17) Uani 1 1 d . . . . .
C53 C 0.2606(7) -0.1153(6) -0.4229(4) 0.058(3) Uani 1 1 d . . . . .
H53 H 0.239980 -0.164088 -0.421527 0.070 Uiso 1 1 calc R . . . .
C41 C -0.6619(5) 0.5344(4) 0.3203(4) 0.0311(19) Uani 1 1 d . . . . .
H41 H -0.648687 0.519548 0.280268 0.037 Uiso 1 1 calc R . . . .
C24 C 0.3308(5) 0.3931(4) 0.0905(5) 0.042(2) Uani 1 1 d . . . . .
C95 C -0.1373(6) 0.7096(5) 0.4310(5) 0.053(3) Uani 1 1 d . . . . .
H95 H -0.119882 0.761247 0.436584 0.063 Uiso 1 1 calc R . . . .
C102 C -0.1829(5) 0.4407(4) 0.3743(4) 0.0301(18) Uani 1 1 d . . . . .
H102 H -0.205372 0.388063 0.366055 0.036 Uiso 1 1 calc R . . . .
C9 C 0.0339(5) 0.0168(5) 0.2280(4) 0.043(2) Uani 1 1 d . . . . .
H9 H 0.039133 -0.023870 0.236631 0.052 Uiso 1 1 calc R . . . .
C58 C 0.1886(5) -0.0964(4) -0.1494(4) 0.0281(18) Uani 1 1 d . . . . .
H58 H 0.188951 -0.139094 -0.141760 0.034 Uiso 1 1 calc R . . . .
C2AA C -0.0129(6) 0.2413(5) 0.2268(4) 0.044(2) Uani 1 1 d . . . . .
H2AA H -0.018037 0.280886 0.216366 0.053 Uiso 1 1 calc R . . . .
C120 C -0.2915(7) 0.5198(7) 0.2660(6) 0.070(4) Uani 1 1 d . . . . .
H12D H -0.292175 0.547767 0.309264 0.105 Uiso 1 1 calc GR . . . .
H12E H -0.286361 0.552444 0.242975 0.105 Uiso 1 1 calc GR . . . .
H12F H -0.243189 0.504203 0.264399 0.105 Uiso 1 1 calc GR . . . .
C70 C -0.0616(5) 0.3017(5) 0.0286(4) 0.039(2) Uani 1 1 d . . . . .
H70 H -0.071741 0.341549 0.021491 0.047 Uiso 1 1 calc R . . . .
C71 C -0.1003(5) 0.2780(5) 0.0724(4) 0.036(2) Uani 1 1 d . . . . .
C109 C -0.4632(6) 0.1222(5) 0.5827(4) 0.041(2) Uani 1 1 d . . . . .
H109 H -0.475213 0.092275 0.539567 0.049 Uiso 1 1 calc R . . . .
C33 C -0.6460(7) 0.6790(5) 0.1769(5) 0.057(3) Uani 1 1 d . . . . .
H33 H -0.594841 0.670696 0.179718 0.069 Uiso 1 1 calc R . . . .
C93 C -0.0117(6) 0.7497(5) 0.3601(5) 0.045(2) Uani 1 1 d . . . . .
H93 H -0.059853 0.761668 0.354728 0.054 Uiso 1 1 calc R . . . .
C92 C 0.0662(6) 0.7878(5) 0.3410(4) 0.039(2) Uani 1 1 d . . . . .
C51 C 0.3098(7) -0.0367(7) -0.4794(5) 0.062(3) Uani 1 1 d . . . . .
H51 H 0.323199 -0.030995 -0.516553 0.075 Uiso 1 1 calc R . . . .
C32 C 0.1038(5) 0.3663(5) 0.1513(4) 0.039(2) Uani 1 1 d . . . . .
H32 H 0.052287 0.360359 0.165877 0.046 Uiso 1 1 calc R . . . .
C90 C 0.2139(7) 0.8192(6) 0.3423(6) 0.066(3) Uani 1 1 d . . . . .
H90 H 0.265496 0.815316 0.354525 0.079 Uiso 1 1 calc R . . . .
C79 C 0.4102(7) 0.1057(8) 0.0004(7) 0.081(3) Uani 1 1 d . U . . .
C91 C 0.1397(6) 0.7816(5) 0.3578(5) 0.047(2) Uani 1 1 d . . . . .
H91 H 0.140302 0.751178 0.380530 0.057 Uiso 1 1 calc R . . . .
C66 C 0.1275(6) 0.3326(5) -0.0336(5) 0.046(2) Uani 1 1 d . . . . .
H66A H 0.143030 0.291357 -0.031378 0.069 Uiso 1 1 calc GR . . . .
H66B H 0.146932 0.374784 0.006944 0.069 Uiso 1 1 calc GR . . . .
H66C H 0.154247 0.349744 -0.064403 0.069 Uiso 1 1 calc GR . . . .
C7 C -0.0453(7) 0.0017(9) 0.3324(6) 0.086(5) Uani 1 1 d D . . . .
H7 H -0.051375 -0.044885 0.300580 0.103 Uiso 1 1 calc R . . . .
C14 C -0.0258(6) 0.1839(7) 0.2979(4) 0.056(3) Uani 1 1 d . . . . .
H14 H -0.038845 0.181969 0.336152 0.068 Uiso 1 1 calc R . . . .
N13 N -0.0942(7) 0.5630(7) 0.6624(6) 0.100(4) Uani 1 1 d . . . . .
N1 N -0.0213(5) 0.0611(7) 0.3246(4) 0.074(3) Uani 1 1 d . . . . .
C123 C -0.3840(5) 0.4056(5) 0.2811(4) 0.0298(18) Uani 1 1 d . . . . .
C6 C -0.0648(8) 0.0059(7) 0.3955(5) 0.069(3) Uani 1 1 d D . . . .
C121 C -0.4472(6) 0.4737(5) 0.2328(4) 0.047(2) Uani 1 1 d . . . . .
H12G H -0.456620 0.497042 0.274517 0.070 Uiso 1 1 calc GR . . . .
H12H H -0.498653 0.429872 0.207798 0.070 Uiso 1 1 calc GR . . . .
H12I H -0.433563 0.510714 0.213470 0.070 Uiso 1 1 calc GR . . . .
C84 C 0.3503(6) -0.0670(6) 0.1199(5) 0.056(3) Uani 1 1 d . . . . .
H84A H 0.400725 -0.020107 0.132676 0.084 Uiso 1 1 calc GR . . . .
H84B H 0.347692 -0.100188 0.077438 0.084 Uiso 1 1 calc GR . . . .
H84C H 0.353348 -0.092754 0.147756 0.084 Uiso 1 1 calc GR . . . .
C104 C -0.4270(9) 0.0951(6) 0.7291(5) 0.080(4) Uani 1 1 d . . . . .
H104 H -0.409892 0.124606 0.772413 0.097 Uiso 1 1 calc R . . . .
C132 C -0.7204(6) 0.1910(5) 0.2081(4) 0.040(2) Uani 1 1 d . . . . .
H13G H -0.771707 0.157994 0.215837 0.060 Uiso 1 1 calc GR . . . .
H13H H -0.674579 0.173225 0.211597 0.060 Uiso 1 1 calc GR . . . .
H13I H -0.731769 0.189849 0.166305 0.060 Uiso 1 1 calc GR . . . .
C30 C 0.2359(6) 0.4500(5) 0.1460(5) 0.048(2) Uani 1 1 d . . . . .
H30 H 0.276490 0.499592 0.155716 0.057 Uiso 1 1 calc R . . . .
C37 C -0.7726(7) 0.6754(5) 0.2106(4) 0.052(3) Uani 1 1 d . . . . .
H37 H -0.811506 0.663752 0.236206 0.063 Uiso 1 1 calc R . . . .
C89 C 0.2116(6) 0.8620(5) 0.3089(5) 0.059(3) Uani 1 1 d . . . . .
H89 H 0.261917 0.887714 0.297667 0.071 Uiso 1 1 calc R . . . .
C88 C 0.1374(7) 0.8681(6) 0.2916(6) 0.064(3) Uani 1 1 d . . . . .
H88 H 0.135885 0.897258 0.267947 0.077 Uiso 1 1 calc R . . . .
C15 C -0.0311(6) 0.2392(6) 0.2827(4) 0.053(3) Uani 1 1 d . . . . .
H15 H -0.047310 0.276919 0.309913 0.064 Uiso 1 1 calc R . . . .
C118 C -0.5795(5) 0.3803(4) 0.6108(4) 0.0309(19) Uani 1 1 d . . . . .
H118 H -0.606176 0.415621 0.622058 0.037 Uiso 1 1 calc R . . . .
C85 C 0.2696(6) -0.0046(6) 0.1903(4) 0.052(3) Uani 1 1 d . . . . .
H85A H 0.277701 -0.032439 0.215224 0.078 Uiso 1 1 calc GR . . . .
H85B H 0.215009 0.000832 0.192949 0.078 Uiso 1 1 calc GR . . . .
H85C H 0.315387 0.045640 0.205904 0.078 Uiso 1 1 calc GR . . . .
C68 C 0.0307(6) 0.3040(5) -0.0526(4) 0.043(2) Uani 1 1 d . . . . .
C72 C -0.1658(6) 0.3076(5) 0.1004(5) 0.046(2) Uani 1 1 d . . . . .
C139 C -0.8319(7) 0.1297(8) 0.4097(6) 0.094(5) Uani 1 1 d . . . . .
H13J H -0.834685 0.170682 0.445882 0.141 Uiso 1 1 calc GR . . . .
H13K H -0.859783 0.081157 0.413523 0.141 Uiso 1 1 calc GR . . . .
H13L H -0.860781 0.128806 0.372059 0.141 Uiso 1 1 calc GR . . . .
C103 C -0.4338(7) 0.1291(6) 0.6885(5) 0.056(3) Uani 1 1 d . . . . .
H103 H -0.424798 0.181318 0.703771 0.067 Uiso 1 1 calc R . . . .
C76 C 0.3941(7) 0.1317(7) -0.0477(6) 0.071(3) Uani 1 1 d . U . . .
H76A H 0.357674 0.088202 -0.084771 0.106 Uiso 1 1 calc GR . . . .
H76B H 0.447899 0.157240 -0.057669 0.106 Uiso 1 1 calc GR . . . .
H76C H 0.365764 0.167139 -0.032935 0.106 Uiso 1 1 calc GR . . . .
C82 C 0.2628(6) -0.0005(5) 0.0844(4) 0.040(2) Uani 1 1 d . . . . .
C105 C -0.4446(8) 0.0192(6) 0.7072(6) 0.070(3) Uani 1 1 d . . . . .
H105 H -0.441503 -0.004173 0.735435 0.084 Uiso 1 1 calc R . . . .
C34 C -0.6639(9) 0.7068(6) 0.1334(5) 0.072(4) Uani 1 1 d . . . . .
H34 H -0.626439 0.716215 0.106360 0.087 Uiso 1 1 calc R . . . .
C86 C 0.1920(7) -0.1223(5) 0.0963(5) 0.061(3) Uani 1 1 d . . . . .
H86A H 0.192185 -0.150565 0.053045 0.091 Uiso 1 1 calc GR . . . .
H86B H 0.140772 -0.110856 0.098455 0.091 Uiso 1 1 calc GR . . . .
H86C H 0.192816 -0.152754 0.120474 0.091 Uiso 1 1 calc GR . . . .
C1 C -0.0616(8) 0.0746(8) 0.4428(6) 0.082(4) Uani 1 1 d . . . . .
H1 H -0.047175 0.120087 0.435855 0.099 Uiso 1 1 calc R . . . .
C5 C -0.0951(9) -0.0570(7) 0.4031(8) 0.104(6) Uani 1 1 d . . . . .
H5 H -0.099830 -0.102058 0.369980 0.125 Uiso 1 1 calc R . . . .
C2 C -0.0803(10) 0.0728(9) 0.4998(6) 0.102(5) Uani 1 1 d . . . . .
H2 H -0.073821 0.118727 0.532599 0.122 Uiso 1 1 calc R . . . .
C3 C -0.1074(12) 0.0071(10) 0.5098(7) 0.117(6) Uani 1 1 d . . . . .
H3 H -0.116850 0.006840 0.549171 0.140 Uiso 1 1 calc R . . . .
C4 C -0.1213(12) -0.0631(10) 0.4565(9) 0.127(7) Uani 1 1 d . . . . .
H4 H -0.147415 -0.111164 0.458539 0.153 Uiso 1 1 calc R . . . .
C48 C -0.7541(5) 0.6446(5) 0.5142(4) 0.037(2) Uani 1 1 d . . . . .
H48 H -0.764511 0.659522 0.555100 0.044 Uiso 1 1 calc R . . . .
C140 C -0.6947(7) 0.1494(5) 0.4669(5) 0.066(3) Uani 1 1 d . . . . .
H14A H -0.636118 0.154352 0.464573 0.098 Uiso 1 1 calc GR . . . .
H14B H -0.724554 0.104032 0.474758 0.098 Uiso 1 1 calc GR . . . .
H14C H -0.694741 0.194195 0.500723 0.098 Uiso 1 1 calc GR . . . .
C74 C -0.2511(7) 0.2424(7) 0.0718(6) 0.074(4) Uani 1 1 d . . . . .
H74A H -0.248280 0.197112 0.076067 0.111 Uiso 1 1 calc GR . . . .
H74B H -0.265747 0.232290 0.027817 0.111 Uiso 1 1 calc GR . . . .
H74C H -0.294517 0.255728 0.093071 0.111 Uiso 1 1 calc GR . . . .
C67 C 0.0081(7) 0.3710(6) -0.0541(6) 0.069(4) Uani 1 1 d . . . . .
H67A H 0.036437 0.389949 -0.083542 0.103 Uiso 1 1 calc GR . . . .
H67B H 0.026857 0.411738 -0.012735 0.103 Uiso 1 1 calc GR . . . .
H67C H -0.053417 0.353679 -0.067013 0.103 Uiso 1 1 calc GR . . . .
C35 C -0.7373(10) 0.7200(6) 0.1308(5) 0.075(4) Uani 1 1 d . . . . .
H35 H -0.750459 0.740239 0.102438 0.090 Uiso 1 1 calc R . . . .
C36 C -0.7906(9) 0.7044(7) 0.1687(6) 0.078(4) Uani 1 1 d . . . . .
H36 H -0.841392 0.713400 0.166529 0.094 Uiso 1 1 calc R . . . .
C20 C 0.6604(9) 0.6404(7) 0.1039(7) 0.085(4) Uani 1 1 d . U . . .
H20 H 0.719415 0.653605 0.116124 0.102 Uiso 1 1 calc R . . . .
C75 C -0.1670(9) 0.3758(7) 0.0869(7) 0.096(5) Uani 1 1 d . . . . .
H75A H -0.209351 0.392998 0.106522 0.145 Uiso 1 1 calc GR . . . .
H75B H -0.181415 0.360968 0.042026 0.145 Uiso 1 1 calc GR . . . .
H75C H -0.110959 0.417047 0.103433 0.145 Uiso 1 1 calc GR . . . .
C138 C -0.7423(10) 0.0756(6) 0.3529(6) 0.099(5) Uani 1 1 d . U . . .
H13M H -0.776038 0.071168 0.315625 0.148 Uiso 1 1 calc GR . . . .
H13N H -0.768418 0.030026 0.361367 0.148 Uiso 1 1 calc GR . . . .
H13O H -0.684702 0.081293 0.346588 0.148 Uiso 1 1 calc GR . . . .
C17 C 0.4935(10) 0.5997(7) 0.0785(7) 0.093(4) Uani 1 1 d . U . . .
H17 H 0.434150 0.584026 0.065482 0.112 Uiso 1 1 calc R . . . .
C21 C 0.6029(8) 0.5719(7) 0.1008(7) 0.092(4) Uani 1 1 d . U . . .
H21 H 0.624053 0.534033 0.099531 0.110 Uiso 1 1 calc R . . . .
C19 C 0.6356(9) 0.6834(9) 0.0910(7) 0.101(5) Uani 1 1 d . U . . .
H19 H 0.675837 0.729046 0.091244 0.121 Uiso 1 1 calc R . . . .
C18 C 0.5480(11) 0.6672(9) 0.0756(8) 0.116(5) Uani 1 1 d . U . . .
H18 H 0.527588 0.699615 0.064073 0.139 Uiso 1 1 calc R . . . .
C78 C 0.4629(10) 0.1875(10) 0.0589(8) 0.145(6) Uani 1 1 d . U . . .
H78A H 0.423408 0.211198 0.075212 0.218 Uiso 1 1 calc GR . . . .
H78B H 0.505613 0.220862 0.044682 0.218 Uiso 1 1 calc GR . . . .
H78C H 0.490847 0.178793 0.091644 0.218 Uiso 1 1 calc GR . . . .
C77 C 0.4702(10) 0.0755(11) 0.0017(9) 0.136(5) Uani 1 1 d . U . . .
H77A H 0.475909 0.067603 0.040332 0.204 Uiso 1 1 calc GR . . . .
H77B H 0.524663 0.110361 -0.000543 0.204 Uiso 1 1 calc GR . . . .
H77C H 0.452906 0.026915 -0.033615 0.204 Uiso 1 1 calc GR . . . .
C129 C -0.3757(8) 0.1865(5) 0.2065(4) 0.058(3) Uani 1 1 d . . . . .
H12J H -0.316496 0.216628 0.208457 0.087 Uiso 1 1 calc GR . . . .
H12K H -0.412896 0.194215 0.178332 0.087 Uiso 1 1 calc GR . . . .
H12L H -0.384546 0.132725 0.191292 0.087 Uiso 1 1 calc GR . . . .
C50 C 0.3166(7) 0.0250(6) -0.4283(5) 0.059(3) Uani 1 1 d . . . . .
H50 H 0.335345 0.073485 -0.430350 0.070 Uiso 1 1 calc R . . . .
C128 C -0.4898(6) 0.1688(5) 0.2667(6) 0.065(3) Uani 1 1 d . . . . .
H12M H -0.503188 0.114182 0.249654 0.097 Uiso 1 1 calc GR . . . .
H12N H -0.523559 0.180927 0.239734 0.097 Uiso 1 1 calc GR . . . .
H12O H -0.502973 0.184173 0.308185 0.097 Uiso 1 1 calc GR . . . .
C119 C -0.3724(10) 0.4004(8) 0.1713(5) 0.092(5) Uani 1 1 d . . . . .
H11A H -0.363083 0.430866 0.146119 0.138 Uiso 1 1 calc GR . . . .
H11B H -0.426354 0.356751 0.152938 0.138 Uiso 1 1 calc GR . . . .
H11C H -0.326125 0.382706 0.172805 0.138 Uiso 1 1 calc GR . . . .
N0AA N 0.1750(14) 0.4194(12) -0.1550(10) 0.182(8) Uani 1 1 d . U . . .
C0AA C 0.1093(16) 0.4040(13) -0.1885(11) 0.144(8) Uani 1 1 d . U . . .
C1AA C 0.0376(13) 0.4086(10) -0.2158(8) 0.143(7) Uani 1 1 d . U . . .
H1AA H -0.010738 0.388497 -0.197880 0.215 Uiso 1 1 calc GR . . . .
H1AB H 0.024820 0.378961 -0.260519 0.215 Uiso 1 1 calc GR . . . .
H1AC H 0.048427 0.461650 -0.208098 0.215 Uiso 1 1 calc GR . . . .
H8 H -0.004(4) 0.074(3) -0.041(2) 0.000(16) Uiso 1 1 d D . . . .
O16 O -0.4795(3) 0.4783(2) 0.4407(2) 0.0208(11) Uani 1 1 d . . . . .
H16 H -0.497781 0.486037 0.403102 0.025 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
Dy3 Dy4 3.8717(5) . ?
Dy3 Dy4 3.6052(5) 2_466 ?
Dy3 O13 2.299(5) . ?
Dy3 O12 2.338(5) . ?
Dy3 O10 2.391(5) . ?
Dy3 O9 2.387(5) 2_466 ?
Dy3 O11 2.404(4) . ?
Dy3 N10 2.567(6) . ?
Dy3 N8 2.549(6) 2_466 ?
Dy3 O16 2.318(5) . ?
Dy4 Dy4 3.8649(7) 2_466 ?
Dy4 O10 2.433(5) 2_466 ?
Dy4 O9 2.399(5) . ?
Dy4 O11 2.384(5) . ?
Dy4 O14 2.325(5) . ?
Dy4 N12 2.544(6) . ?
Dy4 O15 2.304(5) . ?
Dy4 O16 2.435(5) 2_466 ?
Dy4 O16 2.353(5) . ?
Dy1 Dy1 3.8988(7) 2 ?
Dy1 Dy2 3.8988(5) 2 ?
Dy1 Dy2 3.5903(5) . ?
Dy1 O3 2.385(5) . ?
Dy1 O2 2.411(4) . ?
Dy1 O6 2.324(5) . ?
Dy1 O1 2.366(5) . ?
Dy1 O7 2.320(5) . ?
Dy1 O8 2.441(5) . ?
Dy1 O8 2.363(5) 2 ?
Dy1 N6 2.529(6) . ?
Dy2 O3 2.438(5) 2 ?
Dy2 O2 2.382(5) . ?
Dy2 O1 2.390(5) . ?
Dy2 O5 2.319(5) . ?
Dy2 O4 2.339(5) . ?
Dy2 O8 2.318(5) . ?
Dy2 N4 2.566(6) . ?
Dy2 N2 2.527(7) . ?
O13 C125 1.263(9) . ?
O3 C59 1.322(8) . ?
O2 C27 1.349(8) . ?
O12 C123 1.263(9) . ?
O6 C82 1.267(10) . ?
O10 C97 1.359(9) . ?
O9 C43 1.322(8) . ?
O11 C113 1.340(8) . ?
O14 C134 1.265(9) . ?
O1 C11 1.331(9) . ?
O5 C71 1.290(9) . ?
O4 C69 1.269(9) . ?
N10 C98 1.380(9) . ?
N10 C102 1.339(9) . ?
O7 C80 1.254(10) . ?
N8 C44 1.374(9) . ?
N8 C48 1.324(9) . ?
N12 C114 1.365(9) . ?
N12 C118 1.312(9) . ?
C44 C43 1.434(10) . ?
C44 C45 1.404(10) . ?
N7 C40 1.422(9) . ?
N7 C39 1.264(10) . ?
C59 C60 1.422(10) . ?
C59 C58 1.399(10) . ?
O15 C136 1.314(10) . ?
N11 C110 1.415(9) . ?
N11 C109 1.246(10) . ?
N5 C56 1.415(10) . ?
N5 C55 1.288(11) . ?
C131 C133 1.529(11) . ?
C113 C114 1.424(10) . ?
C113 C112 1.385(10) . ?
C126 C127 1.532(11) . ?
C126 C125 1.510(10) . ?
C126 C129 1.519(12) . ?
C126 C128 1.518(12) . ?
C135 C134 1.391(10) . ?
C135 C136 1.377(10) . ?
C43 C42 1.380(10) . ?
C116 C117 1.360(11) . ?
C116 C115 1.395(11) . ?
N4 C28 1.368(10) . ?
N4 C32 1.315(10) . ?
C65 C68 1.533(13) . ?
C99 C98 1.406(11) . ?
C99 C100 1.434(10) . ?
C99 C94 1.421(11) . ?
N9 C94 1.417(10) . ?
N9 C93 1.275(10) . ?
N3 C23 1.212(12) . ?
N3 C24 1.407(11) . ?
C11 C12 1.439(11) . ?
C11 C10 1.374(11) . ?
C61 C62 1.409(10) . ?
C61 C56 1.425(11) . ?
C61 C60 1.415(10) . ?
N2 C12 1.368(10) . ?
N2 C2AA 1.327(10) . ?
C114 C115 1.411(9) . ?
C28 C27 1.436(10) . ?
C28 C29 1.409(11) . ?
C101 C100 1.364(11) . ?
C101 C102 1.400(11) . ?
C133 C134 1.550(11) . ?
C133 C130 1.517(11) . ?
C133 C132 1.534(11) . ?
C27 C26 1.369(10) . ?
C22 C23 1.448(12) . ?
C22 C17 1.380(16) . ?
C22 C21 1.297(15) . ?
C29 C24 1.425(12) . ?
C29 C30 1.401(12) . ?
C25 C26 1.401(11) . ?
C25 C24 1.354(12) . ?
C141 C142 1.524(19) . ?
C42 C41 1.407(10) . ?
C117 C118 1.399(10) . ?
C31 C32 1.407(12) . ?
C31 C30 1.353(13) . ?
C62 C63 1.358(11) . ?
C110 C111 1.362(11) . ?
C110 C115 1.417(10) . ?
C12 C13 1.405(11) . ?
C45 C40 1.408(11) . ?
C45 C46 1.407(11) . ?
C112 C111 1.417(10) . ?
C40 C41 1.393(10) . ?
C56 C57 1.388(11) . ?
C106 C107 1.374(13) . ?
C106 C105 1.347(15) . ?
C122 C120 1.555(13) . ?
C122 C123 1.563(10) . ?
C122 C121 1.497(12) . ?
C122 C119 1.522(13) . ?
C98 C97 1.413(11) . ?
C8 C13 1.382(13) . ?
C8 C9 1.402(13) . ?
C8 N1 1.409(11) . ?
C10 C9 1.409(11) . ?
C39 C38 1.469(11) . ?
C55 C54 1.457(11) . ?
C108 C107 1.361(12) . ?
C108 C109 1.465(11) . ?
C108 C103 1.366(13) . ?
C46 C47 1.331(11) . ?
C57 C58 1.392(11) . ?
C137 C136 1.511(10) . ?
C137 C139 1.533(14) . ?
C137 C140 1.517(12) . ?
C137 C138 1.482(14) . ?
C49 C54 1.382(12) . ?
C49 C50 1.393(13) . ?
C54 C53 1.396(13) . ?
C60 N6 1.369(9) . ?
C38 C33 1.357(13) . ?
C38 C37 1.368(13) . ?
C13 C14 1.445(13) . ?
C73 C72 1.518(14) . ?
C47 C48 1.404(11) . ?
C52 C53 1.386(13) . ?
C52 C51 1.386(14) . ?
C97 C96 1.350(10) . ?
C83 C84 1.539(11) . ?
C83 C85 1.530(13) . ?
C83 C82 1.566(11) . ?
C83 C86 1.532(12) . ?
C81 C80 1.415(12) . ?
C81 C82 1.357(12) . ?
C124 C125 1.403(10) . ?
C124 C123 1.401(10) . ?
C63 C64 1.399(11) . ?
C142 N13 1.215(17) . ?
C64 N6 1.327(9) . ?
C87 C92 1.364(12) . ?
C87 C88 1.365(13) . ?
C96 C95 1.440(11) . ?
C94 C95 1.348(12) . ?
C80 C79 1.568(13) . ?
C69 C70 1.416(11) . ?
C69 C68 1.537(11) . ?
C2AA C15 1.378(13) . ?
C70 C71 1.394(12) . ?
C71 C72 1.524(11) . ?
C33 C34 1.393(13) . ?
C93 C92 1.481(11) . ?
C92 C91 1.357(12) . ?
C51 C50 1.370(15) . ?
C90 C91 1.388(12) . ?
C90 C89 1.368(14) . ?
C79 C76 1.452(14) . ?
C79 C78 1.65(2) . ?
C79 C77 1.368(16) . ?
C66 C68 1.537(12) . ?
C7 N1 1.224(14) . ?
C7 C6 1.517(13) . ?
C14 C15 1.324(14) . ?
C6 C1 1.436(16) . ?
C6 C5 1.290(15) . ?
C104 C103 1.383(12) . ?
C104 C105 1.365(14) . ?
C37 C36 1.380(13) . ?
C89 C88 1.370(14) . ?
C68 C67 1.552(12) . ?
C72 C74 1.517(14) . ?
C72 C75 1.536(13) . ?
C34 C35 1.374(17) . ?
C1 C2 1.405(16) . ?
C5 C4 1.388(18) . ?
C2 C3 1.368(18) . ?
C3 C4 1.47(2) . ?
C35 C36 1.350(17) . ?
C20 C21 1.383(16) . ?
C20 C19 1.209(17) . ?
C17 C18 1.404(18) . ?
C19 C18 1.42(2) . ?
N0AA C0AA 1.21(3) . ?
C0AA C1AA 1.40(3) . ?

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
Dy4 Dy3 Dy4 62.131(11) 2_466 . ?
O13 Dy3 Dy4 108.73(13) . . ?
O13 Dy3 Dy4 168.72(13) . 2_466 ?
O13 Dy3 O12 73.37(17) . . ?
O13 Dy3 O10 143.00(17) . . ?
O13 Dy3 O9 144.54(16) . 2_466 ?
O13 Dy3 O11 82.48(17) . . ?
O13 Dy3 N10 80.91(19) . . ?
O13 Dy3 N8 83.19(18) . 2_466 ?
O13 Dy3 O16 126.83(17) . . ?
O12 Dy3 Dy4 100.49(13) . . ?
O12 Dy3 Dy4 100.96(12) . 2_466 ?
O12 Dy3 O10 81.50(17) . . ?
O12 Dy3 O9 141.93(16) . 2_466 ?
O12 Dy3 O11 116.38(17) . . ?
O12 Dy3 N10 73.35(18) . . ?
O12 Dy3 N8 147.26(19) . 2_466 ?
O10 Dy3 Dy4 42.08(11) . 2_466 ?
O10 Dy3 Dy4 102.13(11) . . ?
O10 Dy3 O11 133.76(16) . . ?
O10 Dy3 N10 65.92(18) . . ?
O10 Dy3 N8 106.01(19) . 2_466 ?
O9 Dy3 Dy4 68.97(12) 2_466 . ?
O9 Dy3 Dy4 41.24(11) 2_466 2_466 ?
O9 Dy3 O10 66.26(17) 2_466 . ?
O9 Dy3 O11 77.11(17) 2_466 . ?
O9 Dy3 N10 108.53(19) 2_466 . ?
O9 Dy3 N8 65.55(17) 2_466 2_466 ?
O11 Dy3 Dy4 35.86(11) . . ?
O11 Dy3 Dy4 91.69(11) . 2_466 ?
O11 Dy3 N10 157.18(17) . . ?
O11 Dy3 N8 81.84(18) . 2_466 ?
N10 Dy3 Dy4 107.14(14) . 2_466 ?
N10 Dy3 Dy4 166.95(13) . . ?
N8 Dy3 Dy4 105.63(14) 2_466 2_466 ?
N8 Dy3 Dy4 108.62(14) 2_466 . ?
N8 Dy3 N10 80.76(19) 2_466 . ?
O16 Dy3 Dy4 41.89(12) . 2_466 ?
O16 Dy3 Dy4 34.31(11) . . ?
O16 Dy3 O12 79.41(17) . . ?
O16 Dy3 O10 72.48(16) . . ?
O16 Dy3 O9 72.18(16) . 2_466 ?
O16 Dy3 O11 70.06(15) . . ?
O16 Dy3 N10 132.73(17) . . ?
O16 Dy3 N8 133.33(18) . 2_466 ?
Dy3 Dy4 Dy3 117.869(11) 2_466 . ?
Dy3 Dy4 Dy4 62.321(11) 2_466 2_466 ?
Dy4 Dy4 Dy3 55.549(10) 2_466 . ?
O10 Dy4 Dy3 41.19(11) 2_466 2_466 ?
O10 Dy4 Dy3 154.06(12) 2_466 . ?
O10 Dy4 Dy4 101.47(11) 2_466 2_466 ?
O10 Dy4 N12 78.94(17) 2_466 . ?
O10 Dy4 O16 69.78(16) 2_466 2_466 ?
O9 Dy4 Dy3 110.21(12) . . ?
O9 Dy4 Dy3 41.00(12) . 2_466 ?
O9 Dy4 Dy4 69.03(12) . 2_466 ?
O9 Dy4 O10 65.42(16) . 2_466 ?
O9 Dy4 N12 136.05(18) . . ?
O9 Dy4 O16 69.99(16) . 2_466 ?
O11 Dy4 Dy3 36.22(10) . . ?
O11 Dy4 Dy3 142.09(12) . 2_466 ?
O11 Dy4 Dy4 85.86(11) . 2_466 ?
O11 Dy4 O10 145.01(16) . 2_466 ?
O11 Dy4 O9 146.07(16) . . ?
O11 Dy4 N12 66.27(17) . . ?
O11 Dy4 O16 102.63(16) . 2_466 ?
O14 Dy4 Dy3 85.59(13) . . ?
O14 Dy4 Dy3 122.53(12) . 2_466 ?
O14 Dy4 Dy4 115.12(12) . 2_466 ?
O14 Dy4 O10 117.77(18) . 2_466 ?
O14 Dy4 O9 82.51(17) . . ?
O14 Dy4 O11 88.36(17) . . ?
O14 Dy4 N12 139.09(17) . . ?
O14 Dy4 O16 145.32(16) . 2_466 ?
O14 Dy4 O16 81.16(17) . . ?
N12 Dy4 Dy3 95.10(13) . 2_466 ?
N12 Dy4 Dy3 90.58(13) . . ?
N12 Dy4 Dy4 95.34(14) . 2_466 ?
O15 Dy4 Dy3 114.17(14) . . ?
O15 Dy4 Dy3 126.46(14) . 2_466 ?
O15 Dy4 Dy4 164.71(14) . 2_466 ?
O15 Dy4 O10 85.40(17) . 2_466 ?
O15 Dy4 O9 126.14(18) . . ?
O15 Dy4 O11 80.88(18) . . ?
O15 Dy4 O14 72.28(18) . . ?
O15 Dy4 N12 72.38(19) . . ?
O15 Dy4 O16 140.79(17) . . ?
O15 Dy4 O16 141.47(17) . 2_466 ?
O16 Dy4 Dy3 33.73(11) . . ?
O16 Dy4 Dy3 84.60(11) 2_466 . ?
O16 Dy4 Dy3 39.47(11) 2_466 2_466 ?
O16 Dy4 Dy3 92.05(11) . 2_466 ?
O16 Dy4 Dy4 35.47(11) 2_466 2_466 ?
O16 Dy4 Dy4 36.89(12) . 2_466 ?
O16 Dy4 O10 133.17(15) . 2_466 ?
O16 Dy4 O9 76.48(16) . . ?
O16 Dy4 O11 69.84(15) . . ?
O16 Dy4 N12 115.75(18) . . ?
O16 Dy4 N12 74.21(17) 2_466 . ?
O16 Dy4 O16 72.36(18) . 2_466 ?
Dy2 Dy1 Dy1 54.829(10) 2 2 ?
Dy2 Dy1 Dy1 62.585(11) . 2 ?
Dy2 Dy1 Dy2 117.414(11) . 2 ?
O3 Dy1 Dy1 85.43(11) . 2 ?
O3 Dy1 Dy2 36.52(11) . 2 ?
O3 Dy1 Dy2 141.83(12) . . ?
O3 Dy1 O2 144.39(16) . . ?
O3 Dy1 O8 102.09(16) . . ?
O3 Dy1 N6 66.26(17) . . ?
O2 Dy1 Dy1 101.57(11) . 2 ?
O2 Dy1 Dy2 153.31(11) . 2 ?
O2 Dy1 Dy2 41.20(11) . . ?
O2 Dy1 O8 70.01(16) . . ?
O2 Dy1 N6 78.31(18) . . ?
O6 Dy1 Dy1 116.62(13) . 2 ?
O6 Dy1 Dy2 125.37(13) . . ?
O6 Dy1 Dy2 85.12(13) . 2 ?
O6 Dy1 O3 86.32(17) . . ?
O6 Dy1 O2 119.55(18) . . ?
O6 Dy1 O1 85.23(17) . . ?
O6 Dy1 O8 82.47(17) . 2 ?
O6 Dy1 O8 147.40(17) . . ?
O6 Dy1 N6 136.55(18) . . ?
O1 Dy1 Dy1 69.25(13) . 2 ?
O1 Dy1 Dy2 109.77(12) . 2 ?
O1 Dy1 Dy2 41.24(12) . . ?
O1 Dy1 O3 145.92(16) . . ?
O1 Dy1 O2 65.99(16) . . ?
O1 Dy1 O8 70.10(17) . . ?
O1 Dy1 N6 135.97(18) . . ?
O7 Dy1 Dy1 165.30(16) . 2 ?
O7 Dy1 Dy2 115.96(14) . 2 ?
O7 Dy1 Dy2 125.10(14) . . ?
O7 Dy1 O3 82.27(19) . . ?
O7 Dy1 O2 84.07(17) . . ?
O7 Dy1 O6 70.68(19) . . ?
O7 Dy1 O1 125.2(2) . . ?
O7 Dy1 O8 141.22(18) . . ?
O7 Dy1 O8 142.23(18) . 2 ?
O7 Dy1 N6 72.7(2) . . ?
O8 Dy1 Dy1 35.10(11) . 2 ?
O8 Dy1 Dy1 36.43(12) 2 2 ?
O8 Dy1 Dy2 33.23(12) 2 2 ?
O8 Dy1 Dy2 91.98(12) 2 . ?
O8 Dy1 Dy2 83.68(11) . 2 ?
O8 Dy1 Dy2 39.75(11) . . ?
O8 Dy1 O3 69.64(16) 2 . ?
O8 Dy1 O2 133.16(16) 2 . ?
O8 Dy1 O1 76.53(17) 2 . ?
O8 Dy1 O8 71.53(18) 2 . ?
O8 Dy1 N6 115.22(18) 2 . ?
O8 Dy1 N6 74.13(18) . . ?
N6 Dy1 Dy1 95.00(14) . 2 ?
N6 Dy1 Dy2 90.60(13) . 2 ?
N6 Dy1 Dy2 94.77(13) . . ?
Dy1 Dy2 Dy1 62.585(11) . 2 ?
O3 Dy2 Dy1 91.89(11) 2 . ?
O3 Dy2 Dy1 35.61(11) 2 2 ?
O3 Dy2 N4 156.70(18) 2 . ?
O3 Dy2 N2 80.04(18) 2 . ?
O2 Dy2 Dy1 102.15(10) . 2 ?
O2 Dy2 Dy1 41.81(10) . . ?
O2 Dy2 O3 133.69(15) . 2 ?
O2 Dy2 O1 66.08(16) . . ?
O2 Dy2 N4 66.06(17) . . ?
O2 Dy2 N2 108.13(19) . . ?
O1 Dy2 Dy1 69.10(12) . 2 ?
O1 Dy2 Dy1 40.74(12) . . ?
O1 Dy2 O3 77.44(16) . 2 ?
O1 Dy2 N4 107.45(18) . . ?
O1 Dy2 N2 66.14(19) . . ?
O5 Dy2 Dy1 109.62(13) . 2 ?
O5 Dy2 Dy1 170.22(13) . . ?
O5 Dy2 O3 83.20(16) . 2 ?
O5 Dy2 O2 142.41(16) . . ?
O5 Dy2 O1 144.55(17) . . ?
O5 Dy2 O4 73.66(18) . . ?
O5 Dy2 N4 80.29(19) . . ?
O5 Dy2 N2 81.5(2) . . ?
O4 Dy2 Dy1 101.47(12) . . ?
O4 Dy2 Dy1 102.03(13) . 2 ?
O4 Dy2 O3 117.68(17) . 2 ?
O4 Dy2 O2 80.65(17) . . ?
O4 Dy2 O1 141.78(17) . . ?
O4 Dy2 N4 73.02(19) . . ?
O4 Dy2 N2 146.7(2) . . ?
O8 Dy2 Dy1 42.33(12) . . ?
O8 Dy2 Dy1 33.98(12) . 2 ?
O8 Dy2 O3 69.48(16) . 2 ?
O8 Dy2 O2 72.62(16) . . ?
O8 Dy2 O1 71.82(17) . . ?
O8 Dy2 O5 127.90(18) . . ?
O8 Dy2 O4 80.97(17) . . ?
O8 Dy2 N4 133.82(19) . . ?
O8 Dy2 N2 132.25(19) . . ?
N4 Dy2 Dy1 106.69(14) . . ?
N4 Dy2 Dy1 167.58(14) . 2 ?
N2 Dy2 Dy1 106.02(15) . . ?
N2 Dy2 Dy1 107.03(14) . 2 ?
N2 Dy2 N4 81.4(2) . . ?
C125 O13 Dy3 137.4(5) . . ?
Dy1 O3 Dy2 107.87(18) . 2 ?
C59 O3 Dy1 116.4(4) . . ?
C59 O3 Dy2 128.6(4) . 2 ?
Dy2 O2 Dy1 97.00(15) . . ?
C27 O2 Dy1 141.2(4) . . ?
C27 O2 Dy2 121.7(4) . . ?
C123 O12 Dy3 134.1(5) . . ?
C82 O6 Dy1 135.6(5) . . ?
Dy3 O10 Dy4 96.73(16) . 2_466 ?
C97 O10 Dy3 121.4(4) . . ?
C97 O10 Dy4 141.8(4) . 2_466 ?
Dy3 O9 Dy4 97.75(17) 2_466 . ?
C43 O9 Dy3 119.7(4) . 2_466 ?
C43 O9 Dy4 142.0(5) . . ?
Dy4 O11 Dy3 107.92(16) . . ?
C113 O11 Dy3 126.7(4) . . ?
C113 O11 Dy4 117.4(4) . . ?
C134 O14 Dy4 135.4(5) . . ?
Dy1 O1 Dy2 98.02(17) . . ?
C11 O1 Dy1 142.2(5) . . ?
C11 O1 Dy2 119.1(4) . . ?
C71 O5 Dy2 135.6(5) . . ?
C69 O4 Dy2 133.4(5) . . ?
C98 N10 Dy3 115.0(5) . . ?
C102 N10 Dy3 126.2(5) . . ?
C102 N10 C98 118.0(7) . . ?
C80 O7 Dy1 138.0(6) . . ?
C44 N8 Dy3 114.2(4) . 2_466 ?
C48 N8 Dy3 126.5(5) . 2_466 ?
C48 N8 C44 117.9(6) . . ?
C114 N12 Dy4 113.6(4) . . ?
C118 N12 Dy4 126.8(5) . . ?
C118 N12 C114 118.5(6) . . ?
Dy1 O8 Dy1 108.47(18) 2 . ?
Dy2 O8 Dy1 97.92(18) . . ?
Dy2 O8 Dy1 112.8(2) . 2 ?
N8 C44 C43 116.1(6) . . ?
N8 C44 C45 122.5(6) . . ?
C45 C44 C43 121.4(7) . . ?
C39 N7 C40 120.2(7) . . ?
O3 C59 C60 119.5(6) . . ?
O3 C59 C58 123.1(6) . . ?
C58 C59 C60 117.3(7) . . ?
C136 O15 Dy4 135.3(5) . . ?
C109 N11 C110 123.5(8) . . ?
C55 N5 C56 120.7(7) . . ?
O11 C113 C114 119.2(6) . . ?
O11 C113 C112 123.7(7) . . ?
C112 C113 C114 117.0(6) . . ?
C125 C126 C127 109.1(7) . . ?
C125 C126 C129 113.9(7) . . ?
C125 C126 C128 105.9(7) . . ?
C129 C126 C127 108.9(7) . . ?
C128 C126 C127 109.6(7) . . ?
C128 C126 C129 109.4(8) . . ?
C136 C135 C134 125.2(7) . . ?
O9 C43 C44 118.7(6) . . ?
O9 C43 C42 123.9(7) . . ?
C42 C43 C44 117.3(7) . . ?
C117 C116 C115 121.4(7) . . ?
C28 N4 Dy2 115.0(5) . . ?
C32 N4 Dy2 128.1(5) . . ?
C32 N4 C28 115.7(7) . . ?
C98 C99 C100 117.2(7) . . ?
C98 C99 C94 120.2(7) . . ?
C94 C99 C100 122.5(7) . . ?
C93 N9 C94 117.7(8) . . ?
C23 N3 C24 125.3(9) . . ?
O1 C11 C12 118.4(7) . . ?
O1 C11 C10 123.8(7) . . ?
C10 C11 C12 117.8(7) . . ?
C62 C61 C56 122.5(7) . . ?
C62 C61 C60 117.9(7) . . ?
C60 C61 C56 119.6(7) . . ?
C12 N2 Dy2 113.9(5) . . ?
C2AA N2 Dy2 126.1(6) . . ?
C2AA N2 C12 117.8(7) . . ?
N12 C114 C113 116.7(6) . . ?
N12 C114 C115 121.6(7) . . ?
C115 C114 C113 121.8(6) . . ?
N4 C28 C27 117.2(6) . . ?
N4 C28 C29 123.8(7) . . ?
C29 C28 C27 119.0(7) . . ?
C100 C101 C102 119.8(7) . . ?
C131 C133 C134 106.0(7) . . ?
C131 C133 C132 110.0(7) . . ?
C130 C133 C131 110.1(7) . . ?
C130 C133 C134 109.0(6) . . ?
C130 C133 C132 108.4(7) . . ?
C132 C133 C134 113.3(6) . . ?
O2 C27 C28 118.3(6) . . ?
O2 C27 C26 122.5(7) . . ?
C26 C27 C28 119.2(6) . . ?
C17 C22 C23 116.3(10) . . ?
C21 C22 C23 126.5(11) . . ?
C21 C22 C17 111.8(12) . . ?
C28 C29 C24 120.2(7) . . ?
C30 C29 C28 116.8(8) . . ?
C30 C29 C24 123.0(7) . . ?
C24 C25 C26 122.2(8) . . ?
C43 C42 C41 121.6(7) . . ?
O14 C134 C135 124.3(7) . . ?
O14 C134 C133 115.5(6) . . ?
C135 C134 C133 120.0(7) . . ?
C116 C117 C118 117.4(7) . . ?
C30 C31 C32 118.1(8) . . ?
C63 C62 C61 119.1(7) . . ?
N11 C110 C115 115.1(7) . . ?
C111 C110 N11 126.1(7) . . ?
C111 C110 C115 118.8(7) . . ?
N2 C12 C11 116.7(7) . . ?
N2 C12 C13 122.6(8) . . ?
C13 C12 C11 120.7(8) . . ?
C44 C45 C40 119.7(7) . . ?
C44 C45 C46 116.6(7) . . ?
C46 C45 C40 123.6(7) . . ?
C113 C112 C111 120.9(7) . . ?
C45 C40 N7 118.3(7) . . ?
C41 C40 N7 122.9(7) . . ?
C41 C40 C45 118.8(7) . . ?
N5 C56 C61 117.6(7) . . ?
C57 C56 N5 125.0(7) . . ?
C57 C56 C61 117.4(7) . . ?
C110 C111 C112 122.1(7) . . ?
C105 C106 C107 119.2(9) . . ?
C120 C122 C123 105.9(7) . . ?
C121 C122 C120 108.7(8) . . ?
C121 C122 C123 111.1(7) . . ?
C121 C122 C119 108.1(8) . . ?
C119 C122 C120 110.5(9) . . ?
C119 C122 C123 112.6(7) . . ?
C27 C26 C25 120.7(7) . . ?
N10 C98 C99 122.5(7) . . ?
N10 C98 C97 117.6(7) . . ?
C99 C98 C97 119.8(7) . . ?
C13 C8 C9 117.8(8) . . ?
C13 C8 N1 116.2(10) . . ?
C9 C8 N1 125.9(9) . . ?
C11 C10 C9 120.5(9) . . ?
N7 C39 C38 123.0(8) . . ?
N5 C55 C54 121.3(8) . . ?
C107 C108 C109 120.9(9) . . ?
C107 C108 C103 119.0(8) . . ?
C103 C108 C109 120.1(8) . . ?
C47 C46 C45 120.6(7) . . ?
N3 C23 C22 129.5(10) . . ?
C101 C100 C99 119.4(7) . . ?
C56 C57 C58 123.2(7) . . ?
C136 C137 C139 106.1(7) . . ?
C136 C137 C140 112.2(7) . . ?
C140 C137 C139 108.2(9) . . ?
C138 C137 C136 112.4(8) . . ?
C138 C137 C139 104.9(10) . . ?
C138 C137 C140 112.5(9) . . ?
C54 C49 C50 118.8(10) . . ?
C49 C54 C55 122.7(8) . . ?
C49 C54 C53 119.6(9) . . ?
C53 C54 C55 117.6(9) . . ?
C61 C60 C59 121.6(7) . . ?
N6 C60 C59 116.4(6) . . ?
N6 C60 C61 122.0(6) . . ?
O15 C136 C135 122.2(7) . . ?
O15 C136 C137 115.0(7) . . ?
C135 C136 C137 122.8(7) . . ?
C108 C107 C106 121.5(10) . . ?
C33 C38 C39 120.3(9) . . ?
C33 C38 C37 117.9(9) . . ?
C37 C38 C39 121.9(8) . . ?
C12 C13 C14 115.3(9) . . ?
C8 C13 C12 120.9(8) . . ?
C8 C13 C14 123.7(8) . . ?
C46 C47 C48 119.9(8) . . ?
C51 C52 C53 119.5(10) . . ?
O10 C97 C98 118.5(6) . . ?
C96 C97 O10 121.5(7) . . ?
C96 C97 C98 120.0(7) . . ?
C84 C83 C82 114.2(8) . . ?
C85 C83 C84 109.2(7) . . ?
C85 C83 C82 108.7(7) . . ?
C85 C83 C86 109.0(8) . . ?
C86 C83 C84 108.9(8) . . ?
C86 C83 C82 106.8(7) . . ?
C82 C81 C80 124.2(8) . . ?
C123 C124 C125 124.5(7) . . ?
C116 C115 C114 117.1(7) . . ?
C116 C115 C110 123.8(7) . . ?
C114 C115 C110 119.2(7) . . ?
C62 C63 C64 120.0(7) . . ?
N13 C142 C141 179.3(16) . . ?
N6 C64 C63 123.0(7) . . ?
C60 N6 Dy1 112.9(4) . . ?
C64 N6 Dy1 127.3(5) . . ?
C64 N6 C60 118.0(6) . . ?
C92 C87 C88 120.9(10) . . ?
C97 C96 C95 119.4(8) . . ?
N9 C94 C99 117.4(7) . . ?
C95 C94 C99 118.1(7) . . ?
C95 C94 N9 124.4(8) . . ?
O7 C80 C81 121.5(8) . . ?
O7 C80 C79 119.8(8) . . ?
C81 C80 C79 118.5(8) . . ?
O4 C69 C70 123.7(7) . . ?
O4 C69 C68 117.0(7) . . ?
C70 C69 C68 119.3(7) . . ?
O13 C125 C126 117.3(7) . . ?
O13 C125 C124 123.3(7) . . ?
C124 C125 C126 119.3(7) . . ?
C52 C53 C54 120.8(10) . . ?
C40 C41 C42 121.1(7) . . ?
N3 C24 C29 117.8(8) . . ?
C25 C24 N3 122.9(9) . . ?
C25 C24 C29 118.7(7) . . ?
C94 C95 C96 122.4(8) . . ?
N10 C102 C101 122.9(7) . . ?
C8 C9 C10 122.1(8) . . ?
C57 C58 C59 120.6(7) . . ?
N2 C2AA C15 123.9(9) . . ?
C71 C70 C69 125.3(7) . . ?
O5 C71 C70 123.7(7) . . ?
O5 C71 C72 116.2(7) . . ?
C70 C71 C72 120.2(8) . . ?
N11 C109 C108 123.2(9) . . ?
C38 C33 C34 122.5(11) . . ?
N9 C93 C92 121.7(8) . . ?
C87 C92 C93 120.5(9) . . ?
C91 C92 C87 119.6(8) . . ?
C91 C92 C93 119.8(8) . . ?
C50 C51 C52 119.5(10) . . ?
N4 C32 C31 125.2(8) . . ?
C89 C90 C91 118.9(10) . . ?
C80 C79 C78 101.5(11) . . ?
C76 C79 C80 112.3(9) . . ?
C76 C79 C78 100.7(11) . . ?
C77 C79 C80 117.2(10) . . ?
C77 C79 C76 122.5(12) . . ?
C77 C79 C78 96.6(13) . . ?
C92 C91 C90 120.6(9) . . ?
N1 C7 C6 116.8(13) . . ?
C15 C14 C13 121.1(9) . . ?
C7 N1 C8 122.7(12) . . ?
O12 C123 C122 114.7(7) . . ?
O12 C123 C124 124.5(7) . . ?
C124 C123 C122 120.8(7) . . ?
C1 C6 C7 122.6(12) . . ?
C5 C6 C7 117.3(12) . . ?
C5 C6 C1 119.6(12) . . ?
C105 C104 C103 120.1(11) . . ?
C31 C30 C29 120.3(8) . . ?
C38 C37 C36 120.5(10) . . ?
C90 C89 C88 120.6(9) . . ?
C87 C88 C89 119.4(10) . . ?
C14 C15 C2AA 119.2(9) . . ?
N12 C118 C117 124.0(7) . . ?
C65 C68 C69 109.0(7) . . ?
C65 C68 C66 108.3(8) . . ?
C65 C68 C67 109.9(8) . . ?
C69 C68 C67 114.0(8) . . ?
C66 C68 C69 107.4(7) . . ?
C66 C68 C67 108.2(8) . . ?
C73 C72 C71 110.0(8) . . ?
C73 C72 C75 109.5(9) . . ?
C71 C72 C75 113.0(8) . . ?
C74 C72 C73 108.5(9) . . ?
C74 C72 C71 106.2(8) . . ?
C74 C72 C75 109.5(10) . . ?
C108 C103 C104 119.6(9) . . ?
O6 C82 C83 115.0(8) . . ?
O6 C82 C81 125.0(8) . . ?
C81 C82 C83 120.0(8) . . ?
C106 C105 C104 120.5(9) . . ?
C35 C34 C33 118.1(11) . . ?
C2 C1 C6 118.2(13) . . ?
C6 C5 C4 124.3(14) . . ?
C3 C2 C1 122.4(14) . . ?
C2 C3 C4 116.6(13) . . ?
C5 C4 C3 118.1(14) . . ?
N8 C48 C47 122.3(8) . . ?
C36 C35 C34 119.9(10) . . ?
C35 C36 C37 121.1(11) . . ?
C19 C20 C21 120.0(16) . . ?
C22 C17 C18 122.7(14) . . ?
C22 C21 C20 125.4(14) . . ?
C20 C19 C18 121.5(16) . . ?
C17 C18 C19 115.1(15) . . ?
C51 C50 C49 121.9(10) . . ?
N0AA C0AA C1AA 163(3) . . ?
Dy3 O16 Dy4 98.64(18) . 2_466 ?
Dy3 O16 Dy4 111.96(17) . . ?
Dy4 O16 Dy4 107.64(18) . 2_466 ?

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
Dy3 O13 C125 C126 -169.3(5) . . . . ?
Dy3 O13 C125 C124 6.8(12) . . . . ?
Dy3 O12 C123 C122 -158.4(5) . . . . ?
Dy3 O12 C123 C124 19.1(13) . . . . ?
Dy3 O10 C97 C98 -11.4(10) . . . . ?
Dy3 O10 C97 C96 167.2(7) . . . . ?
Dy3 O9 C43 C44 -21.9(8) 2_466 . . . ?
Dy3 O9 C43 C42 161.3(6) 2_466 . . . ?
Dy3 O11 C113 C114 118.9(6) . . . . ?
Dy3 O11 C113 C112 -59.2(9) . . . . ?
Dy3 N10 C98 C99 -171.8(6) . . . . ?
Dy3 N10 C98 C97 8.3(9) . . . . ?
Dy3 N10 C102 C101 171.4(6) . . . . ?
Dy3 N8 C44 C43 15.1(8) 2_466 . . . ?
Dy3 N8 C44 C45 -164.4(6) 2_466 . . . ?
Dy3 N8 C48 C47 165.6(6) 2_466 . . . ?
Dy4 O10 C97 C98 166.4(5) 2_466 . . . ?
Dy4 O10 C97 C96 -15.1(14) 2_466 . . . ?
Dy4 O9 C43 C44 168.2(5) . . . . ?
Dy4 O9 C43 C42 -8.6(12) . . . . ?
Dy4 O11 C113 C114 -26.1(8) . . . . ?
Dy4 O11 C113 C112 155.9(6) . . . . ?
Dy4 O14 C134 C135 8.7(12) . . . . ?
Dy4 O14 C134 C133 -176.6(5) . . . . ?
Dy4 N12 C114 C113 13.3(8) . . . . ?
Dy4 N12 C114 C115 -166.0(5) . . . . ?
Dy4 N12 C118 C117 166.4(6) . . . . ?
Dy4 O15 C136 C135 -19.0(12) . . . . ?
Dy4 O15 C136 C137 163.3(6) . . . . ?
Dy1 O3 C59 C60 -28.7(8) . . . . ?
Dy1 O3 C59 C58 154.7(6) . . . . ?
Dy1 O2 C27 C28 -164.2(5) . . . . ?
Dy1 O2 C27 C26 17.1(12) . . . . ?
Dy1 O6 C82 C83 -164.4(5) . . . . ?
Dy1 O6 C82 C81 17.8(14) . . . . ?
Dy1 O1 C11 C12 173.0(5) . . . . ?
Dy1 O1 C11 C10 -6.9(13) . . . . ?
Dy1 O7 C80 C81 -20.5(15) . . . . ?
Dy1 O7 C80 C79 163.9(8) . . . . ?
Dy2 O3 C59 C60 118.0(6) 2 . . . ?
Dy2 O3 C59 C58 -58.6(9) 2 . . . ?
Dy2 O2 C27 C28 9.6(9) . . . . ?
Dy2 O2 C27 C26 -169.0(6) . . . . ?
Dy2 O1 C11 C12 -19.3(9) . . . . ?
Dy2 O1 C11 C10 160.8(6) . . . . ?
Dy2 O5 C71 C70 1.4(13) . . . . ?
Dy2 O5 C71 C72 -178.3(6) . . . . ?
Dy2 O4 C69 C70 -24.9(12) . . . . ?
Dy2 O4 C69 C68 157.3(6) . . . . ?
Dy2 N4 C28 C27 -10.7(8) . . . . ?
Dy2 N4 C28 C29 169.2(6) . . . . ?
Dy2 N4 C32 C31 -166.3(7) . . . . ?
Dy2 N2 C12 C11 18.0(8) . . . . ?
Dy2 N2 C12 C13 -162.4(6) . . . . ?
Dy2 N2 C2AA C15 161.9(7) . . . . ?
O3 C59 C60 C61 -172.2(7) . . . . ?
O3 C59 C60 N6 7.7(10) . . . . ?
O3 C59 C58 C57 173.1(7) . . . . ?
O2 C27 C26 C25 177.3(7) . . . . ?
O10 C97 C96 C95 -178.9(9) . . . . ?
O9 C43 C42 C41 179.6(7) . . . . ?
O11 C113 C114 N12 7.3(10) . . . . ?
O11 C113 C114 C115 -173.4(6) . . . . ?
O11 C113 C112 C111 175.5(7) . . . . ?
O1 C11 C12 N2 -0.5(10) . . . . ?
O1 C11 C12 C13 179.9(7) . . . . ?
O1 C11 C10 C9 -177.3(7) . . . . ?
O5 C71 C72 C73 43.8(11) . . . . ?
O5 C71 C72 C74 -73.4(10) . . . . ?
O5 C71 C72 C75 166.6(9) . . . . ?
O4 C69 C70 C71 2.9(14) . . . . ?
O4 C69 C68 C65 56.7(10) . . . . ?
O4 C69 C68 C66 -60.4(10) . . . . ?
O4 C69 C68 C67 179.7(8) . . . . ?
N10 C98 C97 O10 1.2(11) . . . . ?
N10 C98 C97 C96 -177.4(8) . . . . ?
O7 C80 C79 C76 -20.2(17) . . . . ?
O7 C80 C79 C78 86.5(12) . . . . ?
O7 C80 C79 C77 -169.9(14) . . . . ?
N8 C44 C43 O9 3.0(10) . . . . ?
N8 C44 C43 C42 180.0(7) . . . . ?
N8 C44 C45 C40 176.7(7) . . . . ?
N8 C44 C45 C46 -3.0(11) . . . . ?
N12 C114 C115 C116 -3.4(11) . . . . ?
N12 C114 C115 C110 176.0(7) . . . . ?
C44 N8 C48 C47 0.3(12) . . . . ?
C44 C43 C42 C41 2.8(11) . . . . ?
C44 C45 C40 N7 -179.0(7) . . . . ?
C44 C45 C40 C41 3.7(12) . . . . ?
C44 C45 C46 C47 0.5(13) . . . . ?
N7 C40 C41 C42 -178.6(7) . . . . ?
N7 C39 C38 C33 -177.8(9) . . . . ?
N7 C39 C38 C37 2.2(13) . . . . ?
C59 C60 N6 Dy1 15.3(8) . . . . ?
C59 C60 N6 C64 -178.8(7) . . . . ?
N11 C110 C111 C112 -174.8(8) . . . . ?
N11 C110 C115 C116 -3.4(12) . . . . ?
N11 C110 C115 C114 177.3(7) . . . . ?
N5 C56 C57 C58 -177.7(8) . . . . ?
N5 C55 C54 C49 -9.8(14) . . . . ?
N5 C55 C54 C53 174.3(9) . . . . ?
C131 C133 C134 O14 -67.3(8) . . . . ?
C131 C133 C134 C135 107.7(8) . . . . ?
C113 C114 C115 C116 177.3(7) . . . . ?
C113 C114 C115 C110 -3.3(11) . . . . ?
C113 C112 C111 C110 -1.2(13) . . . . ?
C43 C44 C45 C40 -2.9(11) . . . . ?
C43 C44 C45 C46 177.4(7) . . . . ?
C43 C42 C41 C40 -2.0(12) . . . . ?
C116 C117 C118 N12 -0.4(14) . . . . ?
N4 C28 C27 O2 1.7(10) . . . . ?
N4 C28 C27 C26 -179.6(7) . . . . ?
N4 C28 C29 C24 179.6(8) . . . . ?
N4 C28 C29 C30 -0.1(12) . . . . ?
C99 C98 C97 O10 -178.7(7) . . . . ?
C99 C98 C97 C96 2.7(13) . . . . ?
C99 C94 C95 C96 -0.1(16) . . . . ?
N9 C94 C95 C96 -176.3(9) . . . . ?
N9 C93 C92 C87 171.4(9) . . . . ?
N9 C93 C92 C91 -11.4(14) . . . . ?
C11 C12 C13 C8 -4.0(12) . . . . ?
C11 C12 C13 C14 177.5(7) . . . . ?
C11 C10 C9 C8 -1.6(13) . . . . ?
C61 C62 C63 C64 1.3(14) . . . . ?
C61 C56 C57 C58 4.0(13) . . . . ?
C61 C60 N6 Dy1 -164.8(6) . . . . ?
C61 C60 N6 C64 1.1(11) . . . . ?
N2 C12 C13 C8 176.4(8) . . . . ?
N2 C12 C13 C14 -2.1(12) . . . . ?
N2 C2AA C15 C14 -1.0(15) . . . . ?
C114 N12 C118 C117 -1.0(12) . . . . ?
C114 C113 C112 C111 -2.6(11) . . . . ?
C28 N4 C32 C31 0.8(13) . . . . ?
C28 C27 C26 C25 -1.3(12) . . . . ?
C28 C29 C24 N3 172.2(9) . . . . ?
C28 C29 C24 C25 1.3(14) . . . . ?
C28 C29 C30 C31 -1.1(14) . . . . ?
C27 C28 C29 C24 -0.5(12) . . . . ?
C27 C28 C29 C30 179.8(8) . . . . ?
C22 C17 C18 C19 5(2) . . . . ?
C29 C28 C27 O2 -178.2(7) . . . . ?
C29 C28 C27 C26 0.5(11) . . . . ?
C134 C135 C136 O15 -5.2(13) . . . . ?
C134 C135 C136 C137 172.4(8) . . . . ?
C117 C116 C115 C114 1.9(13) . . . . ?
C117 C116 C115 C110 -177.5(8) . . . . ?
C62 C61 C56 N5 -1.0(12) . . . . ?
C62 C61 C56 C57 177.4(8) . . . . ?
C62 C61 C60 C59 178.4(7) . . . . ?
C62 C61 C60 N6 -1.5(11) . . . . ?
C62 C63 C64 N6 -1.7(14) . . . . ?
C110 N11 C109 C108 -178.4(8) . . . . ?
C12 C11 C10 C9 2.8(12) . . . . ?
C12 N2 C2AA C15 -0.2(13) . . . . ?
C12 C13 C14 C15 0.8(13) . . . . ?
C45 C44 C43 O9 -177.4(7) . . . . ?
C45 C44 C43 C42 -0.4(11) . . . . ?
C45 C40 C41 C42 -1.4(12) . . . . ?
C45 C46 C47 C48 2.3(14) . . . . ?
C112 C113 C114 N12 -174.6(7) . . . . ?
C112 C113 C114 C115 4.8(11) . . . . ?
C40 N7 C39 C38 177.2(7) . . . . ?
C40 C45 C46 C47 -179.2(8) . . . . ?
C56 N5 C55 C54 -179.5(8) . . . . ?
C56 C61 C62 C63 179.9(8) . . . . ?
C56 C61 C60 C59 -1.3(12) . . . . ?
C56 C61 C60 N6 178.8(7) . . . . ?
C56 C57 C58 C59 -0.7(13) . . . . ?
C111 C110 C115 C116 178.8(8) . . . . ?
C111 C110 C115 C114 -0.6(12) . . . . ?
C26 C25 C24 N3 -172.6(9) . . . . ?
C26 C25 C24 C29 -2.2(15) . . . . ?
C98 N10 C102 C101 2.5(11) . . . . ?
C98 C99 C100 C101 1.5(12) . . . . ?
C98 C99 C94 N9 178.9(8) . . . . ?
C98 C99 C94 C95 2.5(14) . . . . ?
C98 C97 C96 C95 -0.4(15) . . . . ?
C8 C13 C14 C15 -177.7(9) . . . . ?
C10 C11 C12 N2 179.4(7) . . . . ?
C10 C11 C12 C13 -0.1(11) . . . . ?
C39 N7 C40 C45 143.8(8) . . . . ?
C39 N7 C40 C41 -39.0(11) . . . . ?
C39 C38 C33 C34 -179.7(9) . . . . ?
C39 C38 C37 C36 178.4(10) . . . . ?
C127 C126 C125 O13 -40.3(10) . . . . ?
C127 C126 C125 C124 143.5(7) . . . . ?
C55 N5 C56 C61 -148.1(8) . . . . ?
C55 N5 C56 C57 33.6(13) . . . . ?
C55 C54 C53 C52 176.7(9) . . . . ?
C46 C45 C40 N7 0.7(12) . . . . ?
C46 C45 C40 C41 -176.6(8) . . . . ?
C46 C47 C48 N8 -2.8(14) . . . . ?
C23 N3 C24 C29 164.4(11) . . . . ?
C23 N3 C24 C25 -25.1(18) . . . . ?
C23 C22 C17 C18 -172.1(13) . . . . ?
C23 C22 C21 C20 175.6(13) . . . . ?
C100 C99 C98 N10 -0.3(12) . . . . ?
C100 C99 C98 C97 179.6(8) . . . . ?
C100 C99 C94 N9 -4.7(13) . . . . ?
C100 C99 C94 C95 178.9(9) . . . . ?
C100 C101 C102 N10 -1.3(12) . . . . ?
C49 C54 C53 C52 0.6(15) . . . . ?
C54 C49 C50 C51 -1.6(16) . . . . ?
C60 C59 C58 C57 -3.6(11) . . . . ?
C60 C61 C62 C63 0.3(13) . . . . ?
C60 C61 C56 N5 178.7(7) . . . . ?
C60 C61 C56 C57 -2.9(12) . . . . ?
C136 C135 C134 O14 10.1(13) . . . . ?
C136 C135 C134 C133 -164.4(8) . . . . ?
C107 C106 C105 C104 2(2) . . . . ?
C107 C108 C109 N11 175.2(10) . . . . ?
C107 C108 C103 C104 1.2(17) . . . . ?
C38 C33 C34 C35 1.4(17) . . . . ?
C38 C37 C36 C35 1.3(18) . . . . ?
C13 C8 C9 C10 -2.5(13) . . . . ?
C13 C8 N1 C7 157.5(10) . . . . ?
C13 C14 C15 C2AA 0.7(15) . . . . ?
C52 C51 C50 C49 -0.6(17) . . . . ?
C97 C96 C95 C94 -0.9(17) . . . . ?
C130 C133 C134 O14 51.2(9) . . . . ?
C130 C133 C134 C135 -133.9(8) . . . . ?
C81 C80 C79 C76 164.0(11) . . . . ?
C81 C80 C79 C78 -89.2(12) . . . . ?
C81 C80 C79 C77 14.4(19) . . . . ?
C115 C116 C117 C118 -0.1(14) . . . . ?
C115 C110 C111 C112 2.8(12) . . . . ?
C63 C64 N6 Dy1 164.1(6) . . . . ?
C63 C64 N6 C60 0.5(12) . . . . ?
C87 C92 C91 C90 -0.4(16) . . . . ?
C94 C99 C98 N10 176.3(8) . . . . ?
C94 C99 C98 C97 -3.8(12) . . . . ?
C94 C99 C100 C101 -175.0(8) . . . . ?
C94 N9 C93 C92 177.4(8) . . . . ?
C80 C81 C82 O6 -1.4(16) . . . . ?
C80 C81 C82 C83 -179.1(9) . . . . ?
C69 C70 C71 O5 8.8(14) . . . . ?
C69 C70 C71 C72 -171.5(8) . . . . ?
C125 C124 C123 O12 -1.0(14) . . . . ?
C125 C124 C123 C122 176.3(7) . . . . ?
C53 C52 C51 C50 2.7(17) . . . . ?
C24 N3 C23 C22 -178.1(11) . . . . ?
C24 C29 C30 C31 179.1(10) . . . . ?
C24 C25 C26 C27 2.3(14) . . . . ?
C102 N10 C98 C99 -1.6(11) . . . . ?
C102 N10 C98 C97 178.4(7) . . . . ?
C102 C101 C100 C99 -0.8(12) . . . . ?
C9 C8 C13 C12 5.2(13) . . . . ?
C9 C8 C13 C14 -176.4(8) . . . . ?
C9 C8 N1 C7 -24.5(16) . . . . ?
C58 C59 C60 C61 4.5(11) . . . . ?
C58 C59 C60 N6 -175.5(7) . . . . ?
C2AA N2 C12 C11 -177.8(7) . . . . ?
C2AA N2 C12 C13 1.8(11) . . . . ?
C120 C122 C123 O12 64.5(10) . . . . ?
C120 C122 C123 C124 -113.1(9) . . . . ?
C70 C69 C68 C65 -121.2(8) . . . . ?
C70 C69 C68 C66 121.7(8) . . . . ?
C70 C69 C68 C67 1.8(12) . . . . ?
C70 C71 C72 C73 -135.9(9) . . . . ?
C70 C71 C72 C74 106.9(10) . . . . ?
C70 C71 C72 C75 -13.1(14) . . . . ?
C109 N11 C110 C111 -36.6(13) . . . . ?
C109 N11 C110 C115 145.8(9) . . . . ?
C109 C108 C107 C106 -174.3(11) . . . . ?
C109 C108 C103 C104 178.5(10) . . . . ?
C33 C38 C37 C36 -1.6(15) . . . . ?
C33 C34 C35 C36 -1.7(18) . . . . ?
C93 N9 C94 C99 144.6(9) . . . . ?
C93 N9 C94 C95 -39.3(14) . . . . ?
C93 C92 C91 C90 -177.6(9) . . . . ?
C92 C87 C88 C89 -2.1(18) . . . . ?
C51 C52 C53 C54 -2.8(16) . . . . ?
C32 N4 C28 C27 -179.6(7) . . . . ?
C32 N4 C28 C29 0.3(11) . . . . ?
C32 C31 C30 C29 2.1(15) . . . . ?
C90 C89 C88 C87 0.9(18) . . . . ?
C91 C90 C89 C88 0.5(18) . . . . ?
C7 C6 C1 C2 -179.6(12) . . . . ?
C7 C6 C5 C4 -175.6(15) . . . . ?
N1 C8 C13 C12 -176.6(8) . . . . ?
N1 C8 C13 C14 1.7(13) . . . . ?
N1 C8 C9 C10 179.5(9) . . . . ?
N1 C7 C6 C1 4.3(18) . . . . ?
N1 C7 C6 C5 175.8(13) . . . . ?
C123 C124 C125 O13 -11.6(13) . . . . ?
C123 C124 C125 C126 164.3(8) . . . . ?
C6 C7 N1 C8 176.3(9) . . . . ?
C6 C1 C2 C3 -5(2) . . . . ?
C6 C5 C4 C3 -5(3) . . . . ?
C121 C122 C123 O12 -53.3(10) . . . . ?
C121 C122 C123 C124 129.2(8) . . . . ?
C84 C83 C82 O6 173.5(8) . . . . ?
C84 C83 C82 C81 -8.6(12) . . . . ?
C132 C133 C134 O14 171.9(7) . . . . ?
C132 C133 C134 C135 -13.1(11) . . . . ?
C30 C29 C24 N3 -8.0(14) . . . . ?
C30 C29 C24 C25 -178.9(9) . . . . ?
C30 C31 C32 N4 -2.1(15) . . . . ?
C37 C38 C33 C34 0.2(15) . . . . ?
C89 C90 C91 C92 -0.8(17) . . . . ?
C88 C87 C92 C93 179.1(10) . . . . ?
C88 C87 C92 C91 1.8(16) . . . . ?
C118 N12 C114 C113 -177.7(7) . . . . ?
C118 N12 C114 C115 3.0(11) . . . . ?
C85 C83 C82 O6 -64.3(10) . . . . ?
C85 C83 C82 C81 113.6(9) . . . . ?
C68 C69 C70 C71 -179.4(9) . . . . ?
C139 C137 C136 O15 82.4(10) . . . . ?
C139 C137 C136 C135 -95.3(10) . . . . ?
C103 C108 C107 C106 3.1(18) . . . . ?
C103 C108 C109 N11 -2.1(14) . . . . ?
C103 C104 C105 C106 2(2) . . . . ?
C82 C81 C80 O7 2.2(16) . . . . ?
C82 C81 C80 C79 177.8(10) . . . . ?
C105 C106 C107 C108 -5(2) . . . . ?
C105 C104 C103 C108 -3.7(19) . . . . ?
C34 C35 C36 C37 0(2) . . . . ?
C86 C83 C82 O6 53.1(10) . . . . ?
C86 C83 C82 C81 -129.0(9) . . . . ?
C1 C6 C5 C4 -4(2) . . . . ?
C1 C2 C3 C4 -4(3) . . . . ?
C5 C6 C1 C2 9(2) . . . . ?
C2 C3 C4 C5 9(3) . . . . ?
C48 N8 C44 C43 -177.8(7) . . . . ?
C48 N8 C44 C45 2.6(11) . . . . ?
C140 C137 C136 O15 -35.6(11) . . . . ?
C140 C137 C136 C135 146.7(9) . . . . ?
C20 C19 C18 C17 2(3) . . . . ?
C138 C137 C136 O15 -163.6(9) . . . . ?
C138 C137 C136 C135 18.7(13) . . . . ?
C17 C22 C23 N3 -36(2) . . . . ?
C17 C22 C21 C20 23(2) . . . . ?
C21 C22 C23 N3 171.9(14) . . . . ?
C21 C22 C17 C18 -16(2) . . . . ?
C21 C20 C19 C18 3(3) . . . . ?
C19 C20 C21 C22 -18(3) . . . . ?
C129 C126 C125 O13 -162.1(8) . . . . ?
C129 C126 C125 C124 21.7(11) . . . . ?
C50 C49 C54 C55 -174.3(9) . . . . ?
C50 C49 C54 C53 1.5(15) . . . . ?
C128 C126 C125 O13 77.6(9) . . . . ?
C128 C126 C125 C124 -98.6(9) . . . . ?
C119 C122 C123 O12 -174.6(9) . . . . ?
C119 C122 C123 C124 7.8(12) . . . . ?

_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_1
_database_code_depnum_ccdc_archive 'CCDC 1861996'
_audit_update_record             
;
2018-08-14 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_audit_creation_date             2018-07-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C70 H72 Eu2 N6 O8), C2 H3 N'
_chemical_formula_sum            'C142 H147 Eu4 N13 O16'
_chemical_formula_weight         2899.56
_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'
Eu Eu -0.1578 3.6682 '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                   17.3686(7)
_cell_length_b                   20.3861(8)
_cell_length_c                   23.5088(10)
_cell_angle_alpha                110.1633(18)
_cell_angle_beta                 93.286(2)
_cell_angle_gamma                109.9669(17)
_cell_volume                     7198.2(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.25
_cell_measurement_theta_min      2.23
_shelx_estimated_absorpt_T_max   0.828
_shelx_estimated_absorpt_T_min   0.655
_exptl_absorpt_coefficient_mu    1.781
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6345
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0740 before and 0.0641 after correction.
The Ratio of minimum to maximum transmission is 0.8514.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2940
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1064
_diffrn_reflns_av_unetI/netI     0.0917
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            98142
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.152
_diffrn_ambient_temperature      173.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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                16522
_reflns_number_total             25357
_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         2.103
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.176
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1602
_refine_ls_number_reflns         25357
_refine_ls_number_restraints     92
_refine_ls_R_factor_all          0.1309
_refine_ls_R_factor_gt           0.0729
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.030
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0547P)²+107.5145P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1476
_refine_ls_wR_factor_ref         0.1844
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O8-H8
 0.82 with sigma of 0.02
 C56A-C57
 2.1 with sigma of 0.02
 H57B-H56D
 2.2 with sigma of 0.02
 H56E-H57B
 2.2 with sigma of 0.02
 O16-H16A
 0.82 with sigma of 0.02
 H56D-H57C
 2.15 with sigma of 0.02
 C56A-C183 \\sim C183-C56B
 with sigma of 0.02
3. Rigid bond restraints
 C57, C58
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C57, C183
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C57 \\sim C58: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N5) \\sim Ueq, Uanis(C183) \\sim Ueq, Uanis(C133) \\sim Ueq, Uanis(C118)
\\sim Ueq, Uanis(C120) \\sim Ueq, Uanis(C137) \\sim Ueq, Uanis(C136) \\sim Ueq:
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C56B) \\sim Ueq, Uanis(C57) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C37) \\sim Ueq, Uanis(C36) \\sim Ueq, Uanis(C39) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(N13) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C141) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C56B) = Uanis(C56A)
5. Others
 Sof(C56A)=Sof(H56D)=Sof(H56E)=Sof(H56F)=1-FVAR(1)
 Sof(C56B)=Sof(H56A)=Sof(H56B)=Sof(H56C)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C14(H14), C47(H47), C108(H108), C94(H94), C39(H39), C16(H16), C111(H111),
 C7(H7), C5(H5), C42(H42), C106(H106), C41(H41), C32(H32), C99(H99), C83(H83),
 C25(H25), C79(H79), C110(H110), C9(H9), C84(H84), C3(H3), C85(H85), C70(H70),
 C10(H10), C46(H46), C15(H15), C26(H26), C100(H100), C54(H54), C116(H116),
 C95(H95), C101(H101), C134(H134), C30(H30), C48(H48), C36(H36), C115(H115),
 C123(H123), C92(H92), C31(H31), C23(H23), C102(H102), C64(H64), C2(H2),
 C117(H117), C103(H103), C76(H76), C1(H1), C86(H86), C87(H87), C88(H88),
 C89(H89), C90(H90), C6(H6), C78(H78), C18(H18), C35(H35), C17(H17), C20(H20),
 C74(H74), C21(H21), C72(H72), C71(H71), C104(H104), C73(H73), C19(H19),
 C37(H37), C105(H105), C33(H33), C34(H34)
6.b Fitted hexagon refined as free rotating group:
 C86(C87,C88,C89,C90,C91)
6.c Idealised Me refined as rotating group:
 C128(H12A,H12B,H12C), C130(H13A,H13B,H13C), C58(H58A,H58B,H58C), C49(H49A,
 H49B,H49C), C51(H51A,H51B,H51C), C126(H12D,H12E,H12F), C50(H50A,H50B,H50C),
 C67(H67A,H67B,H67C), C60(H60A,H60B,H60C), C139(H13D,H13E,H13F), C68(H68A,H68B,
 H68C), C69(H69A,H69B,H69C), C59(H59A,H59B,H59C), C131(H13G,H13H,H13I),
 C138(H13J,H13K,H13L), C129(H12G,H12H,H12I), C119(H11A,H11B,H11C), C61(H61A,
 H61B,H61C), C127(H12J,H12K,H12L), C118(H11D,H11E,H11F), C137(H13M,H13N,H13O),
 C120(H12M,H12N,H12O), C56B(H56A,H56B,H56C), C57(H57A,H57B,H57C), C140(H14A,
 H14B,H14C), C56A(H56D,H56E,H56F)
;
_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
Eu2 Eu 0.37650(3) 1.45103(3) 0.47965(2) 0.02409(13) Uani 1 1 d . . . . .
Eu1 Eu 0.49303(3) 1.33085(3) 0.42768(2) 0.02740(14) Uani 1 1 d . . . . .
Eu4 Eu 0.09430(4) 1.09747(3) 0.02975(2) 0.02869(14) Uani 1 1 d . . . . .
Eu3 Eu 0.12691(4) 0.93172(3) -0.07074(2) 0.02997(14) Uani 1 1 d . . . . .
O16 O 0.0198(5) 0.9774(4) -0.0602(3) 0.0299(17) Uani 1 1 d D . . . .
O1 O 0.3822(4) 1.5611(4) 0.5658(3) 0.0290(16) Uani 1 1 d . . . . .
O3 O 0.3553(4) 1.3175(4) 0.4476(3) 0.0285(16) Uani 1 1 d . . . . .
O10 O 0.0088(5) 0.8476(4) -0.0464(3) 0.0324(17) Uani 1 1 d . . . . .
O5 O 0.2339(4) 1.4085(4) 0.4852(4) 0.0374(19) Uani 1 1 d . . . . .
O13 O 0.1233(5) 0.8191(4) -0.1447(3) 0.0353(18) Uani 1 1 d . . . . .
O11 O 0.1391(5) 1.0004(4) 0.0384(3) 0.0374(18) Uani 1 1 d . . . . .
O4 O 0.3068(4) 1.4894(4) 0.4174(3) 0.0323(17) Uani 1 1 d . . . . .
O12 O 0.1048(5) 0.9383(4) -0.1679(3) 0.040(2) Uani 1 1 d . . . . .
O9 O 0.1892(5) 1.0675(4) -0.0389(4) 0.0403(19) Uani 1 1 d . . . . .
O14 O 0.1810(5) 1.2234(4) 0.0556(4) 0.0407(19) Uani 1 1 d . . . . .
O7 O 0.4920(5) 1.2804(4) 0.5046(3) 0.0335(17) Uani 1 1 d . . . . .
O2 O 0.4349(4) 1.4045(4) 0.3915(3) 0.0306(17) Uani 1 1 d . . . . .
O15 O 0.1450(5) 1.1531(4) 0.1370(3) 0.0368(18) Uani 1 1 d . . . . .
O6 O 0.5840(5) 1.2662(4) 0.4103(4) 0.0376(19) Uani 1 1 d . . . . .
N10 N -0.0539(6) 0.8651(5) 0.0579(4) 0.033(2) Uani 1 1 d . . . . .
N2 N 0.3658(5) 1.4320(4) 0.5817(4) 0.0243(18) Uani 1 1 d . . . . .
N12 N 0.2102(6) 0.8982(5) 0.0020(4) 0.037(2) Uani 1 1 d . . . . .
N4 N 0.4881(6) 1.3052(5) 0.3131(4) 0.038(2) Uani 1 1 d . . . . .
C128 C 0.1556(9) 0.6896(7) -0.1885(6) 0.054(4) Uani 1 1 d . . . . .
H12A H 0.215318 0.717809 -0.184782 0.081 Uiso 1 1 calc GR . . . .
H12B H 0.143605 0.635218 -0.204916 0.081 Uiso 1 1 calc GR . . . .
H12C H 0.140708 0.704758 -0.147759 0.081 Uiso 1 1 calc GR . . . .
N9 N 0.0432(7) 0.6865(6) 0.0969(5) 0.049(3) Uani 1 1 d . . . . .
C55 C 0.1735(8) 1.4270(7) 0.4749(6) 0.041(3) Uani 1 1 d . . . . .
C124 C 0.1175(7) 0.7913(7) -0.2033(5) 0.037(3) Uani 1 1 d . . . . .
N6 N 0.3821(6) 1.1924(5) 0.3815(4) 0.036(2) Uani 1 1 d . . . . .
N8 N 0.2729(6) 0.9816(6) -0.0977(5) 0.044(2) Uani 1 1 d . . . . .
C14 C 0.3108(7) 1.4054(6) 0.6840(5) 0.039(3) Uani 1 1 d . . . . .
H14 H 0.293033 1.396113 0.718925 0.047 Uiso 1 1 calc R . . . .
C130 C 0.2621(9) 1.1993(9) 0.2502(6) 0.065(4) Uani 1 1 d . . . . .
H13A H 0.245807 1.147892 0.218948 0.098 Uiso 1 1 calc GR . . . .
H13B H 0.271571 1.198800 0.291494 0.098 Uiso 1 1 calc GR . . . .
H13C H 0.313653 1.232886 0.243760 0.098 Uiso 1 1 calc GR . . . .
N5 N 0.1129(8) 1.0328(7) 0.4029(7) 0.084(4) Uani 1 1 d . U . . .
N11 N 0.2207(7) 0.8804(6) 0.2029(4) 0.047(3) Uani 1 1 d . . . . .
C52 C 0.2323(7) 1.5480(6) 0.3769(5) 0.038(3) Uani 1 1 d . . . . .
N1 N 0.2558(6) 1.5113(5) 0.7680(4) 0.042(2) Uani 1 1 d . . . . .
C43 C 0.2942(7) 1.2506(6) 0.4348(5) 0.029(2) Uani 1 1 d . . . . .
C12 C 0.3401(6) 1.4833(6) 0.6226(5) 0.028(2) Uani 1 1 d . . . . .
C113 C 0.1958(7) 0.9193(6) 0.0603(5) 0.031(2) Uani 1 1 d . . . . .
C47 C 0.3349(9) 1.0566(7) 0.3364(7) 0.063(4) Uani 1 1 d . . . . .
H47 H 0.346745 1.013597 0.314104 0.075 Uiso 1 1 calc R . . . .
C58 C 0.1093(9) 1.3687(10) 0.5478(8) 0.078(5) Uani 1 1 d . U . . .
H58A H 0.122802 1.323844 0.530312 0.117 Uiso 1 1 calc GR . . . .
H58B H 0.058767 1.355761 0.565108 0.117 Uiso 1 1 calc GR . . . .
H58C H 0.155905 1.408847 0.580626 0.117 Uiso 1 1 calc GR . . . .
C4 C 0.2364(9) 1.5533(8) 0.8717(6) 0.053(4) Uani 1 1 d . . . . .
C108 C 0.1735(9) 0.8632(7) 0.2396(6) 0.050(3) Uani 1 1 d . . . . .
H108 H 0.121917 0.869708 0.237878 0.060 Uiso 1 1 calc R . . . .
C49 C 0.2323(9) 1.5038(8) 0.3090(6) 0.053(3) Uani 1 1 d . . . . .
H49A H 0.284814 1.495909 0.306366 0.080 Uiso 1 1 calc GR . . . .
H49B H 0.227006 1.532682 0.284318 0.080 Uiso 1 1 calc GR . . . .
H49C H 0.185223 1.454633 0.293235 0.080 Uiso 1 1 calc GR . . . .
C94 C 0.0548(7) 0.7075(6) -0.0002(5) 0.039(3) Uani 1 1 d . . . . .
H94 H 0.078935 0.670932 -0.014933 0.047 Uiso 1 1 calc R . . . .
C133 C 0.1764(7) 1.2210(6) 0.1771(5) 0.033(3) Uani 1 1 d . U . . .
C39 C 0.0401(8) 1.0178(7) 0.4079(6) 0.047(3) Uani 1 1 d . U . . .
H39 H 0.021623 1.058485 0.417653 0.057 Uiso 1 1 calc R . . . .
C97 C -0.0150(7) 0.8146(6) 0.0407(5) 0.030(2) Uani 1 1 d . . . . .
C53 C 0.2391(7) 1.5006(6) 0.4150(5) 0.032(3) Uani 1 1 d . . . . .
C13 C 0.3108(7) 1.4711(6) 0.6750(5) 0.032(2) Uani 1 1 d . . . . .
C125 C 0.1047(8) 0.7069(7) -0.2323(6) 0.044(3) Uani 1 1 d . . . . .
C114 C 0.2180(8) 0.8901(6) 0.1027(5) 0.038(3) Uani 1 1 d . . . . .
C112 C 0.1574(7) 0.9739(6) 0.0796(5) 0.034(3) Uani 1 1 d . . . . .
C51 C 0.1534(9) 1.5656(8) 0.3798(7) 0.059(4) Uani 1 1 d . . . . .
H51A H 0.153239 1.596569 0.355825 0.089 Uiso 1 1 calc GR . . . .
H51B H 0.152578 1.593395 0.422878 0.089 Uiso 1 1 calc GR . . . .
H51C H 0.103945 1.518186 0.362391 0.089 Uiso 1 1 calc GR . . . .
C16 C 0.3628(7) 1.3717(6) 0.5919(5) 0.030(2) Uani 1 1 d . . . . .
H16 H 0.379746 1.336157 0.563047 0.036 Uiso 1 1 calc R . . . .
C136 C 0.2411(9) 1.3581(6) 0.0940(5) 0.047(3) Uani 1 1 d . U . . .
C111 C 0.1403(8) 0.9936(6) 0.1376(5) 0.042(3) Uani 1 1 d . . . . .
H111 H 0.114532 1.029157 0.150513 0.051 Uiso 1 1 calc R . . . .
N7 N 0.4796(8) 1.1983(6) -0.1183(6) 0.062(3) Uani 1 1 d . . . . .
C40 C 0.1706(8) 1.1070(7) 0.4107(7) 0.058(4) Uani 1 1 d . . . . .
C8 C 0.2837(7) 1.5248(6) 0.7153(5) 0.035(3) Uani 1 1 d . . . . .
C126 C 0.1297(11) 0.6849(8) -0.2952(6) 0.068(5) Uani 1 1 d . . . . .
H12D H 0.190113 0.711248 -0.290185 0.102 Uiso 1 1 calc GR . . . .
H12E H 0.100057 0.699228 -0.322631 0.102 Uiso 1 1 calc GR . . . .
H12F H 0.114996 0.630055 -0.313287 0.102 Uiso 1 1 calc GR . . . .
C27 C 0.4526(7) 1.4140(7) 0.3390(5) 0.035(3) Uani 1 1 d . . . . .
C63 C 0.5982(8) 1.2195(6) 0.4294(6) 0.041(3) Uani 1 1 d . . . . .
C7 C 0.2651(8) 1.5664(7) 0.8181(5) 0.043(3) Uani 1 1 d . . . . .
H7 H 0.291104 1.616864 0.820611 0.052 Uiso 1 1 calc R . . . .
C5 C 0.2077(9) 1.4829(8) 0.8748(6) 0.055(4) Uani 1 1 d . . . . .
H5 H 0.202268 1.439187 0.840047 0.066 Uiso 1 1 calc R . . . .
C122 C 0.1149(8) 0.9035(7) -0.2210(6) 0.043(3) Uani 1 1 d . . . . .
C42 C 0.2205(7) 1.2417(7) 0.4547(6) 0.044(3) Uani 1 1 d . . . . .
H42 H 0.210066 1.285421 0.477114 0.053 Uiso 1 1 calc R . . . .
C93 C 0.0303(8) 0.7197(6) 0.0548(5) 0.039(3) Uani 1 1 d . . . . .
C106 C 0.2693(11) 0.8245(9) 0.2901(7) 0.071(5) Uani 1 1 d . . . . .
H106 H 0.308391 0.838096 0.265380 0.085 Uiso 1 1 calc R . . . .
C28 C 0.4803(7) 1.3611(7) 0.2972(5) 0.035(3) Uani 1 1 d . . . . .
C41 C 0.1602(8) 1.1708(7) 0.4433(7) 0.054(4) Uani 1 1 d . . . . .
H41 H 0.110356 1.167287 0.458923 0.065 Uiso 1 1 calc R . . . .
C32 C 0.5111(7) 1.2540(7) 0.2745(6) 0.046(3) Uani 1 1 d . . . . .
H32 H 0.516640 1.215511 0.286406 0.056 Uiso 1 1 calc R . . . .
C99 C -0.0325(9) 0.7924(7) 0.1349(6) 0.050(3) Uani 1 1 d . . . . .
H99 H -0.026194 0.767627 0.161381 0.060 Uiso 1 1 calc R . . . .
C83 C 0.4191(8) 1.0435(7) -0.1375(6) 0.048(3) Uani 1 1 d . . . . .
H83 H 0.469128 1.064059 -0.150885 0.057 Uiso 1 1 calc R . . . .
C25 C 0.4674(8) 1.4771(8) 0.2685(6) 0.056(4) Uani 1 1 d . . . . .
H25 H 0.463763 1.517540 0.258696 0.067 Uiso 1 1 calc R . . . .
C79 C 0.2872(9) 1.1767(7) -0.0497(7) 0.063(4) Uani 1 1 d . . . . .
H79 H 0.258785 1.207507 -0.029024 0.076 Uiso 1 1 calc R . . . .
C110 C 0.1600(8) 0.9626(6) 0.1794(5) 0.041(3) Uani 1 1 d . . . . .
H110 H 0.147578 0.978045 0.219542 0.049 Uiso 1 1 calc R . . . .
C81 C 0.3034(8) 1.0561(7) -0.0888(6) 0.048(3) Uani 1 1 d . . . . .
C98 C -0.0049(8) 0.7753(7) 0.0776(6) 0.040(3) Uani 1 1 d . . . . .
C109 C 0.1962(8) 0.9114(7) 0.1627(5) 0.040(3) Uani 1 1 d . . . . .
C11 C 0.3459(6) 1.5481(6) 0.6115(4) 0.027(2) Uani 1 1 d . . . . .
C9 C 0.2833(7) 1.5847(6) 0.7011(5) 0.037(3) Uani 1 1 d . . . . .
H9 H 0.261573 1.618849 0.726539 0.044 Uiso 1 1 calc R . . . .
C84 C 0.3874(8) 0.9679(8) -0.1469(6) 0.053(3) Uani 1 1 d . . . . .
H84 H 0.414905 0.935935 -0.166989 0.063 Uiso 1 1 calc R . . . .
C3 C 0.2396(11) 1.6153(9) 0.9237(7) 0.073(5) Uani 1 1 d . . . . .
H3 H 0.259274 1.664303 0.922468 0.088 Uiso 1 1 calc R . . . .
C85 C 0.3142(8) 0.9393(6) -0.1266(6) 0.045(3) Uani 1 1 d . . . . .
H85 H 0.292452 0.887023 -0.133532 0.054 Uiso 1 1 calc R . . . .
C70 C 0.5609(11) 1.3308(9) -0.1925(8) 0.078(5) Uani 1 1 d . . . . .
H70 H 0.510285 1.335652 -0.203780 0.094 Uiso 1 1 calc R . . . .
C10 C 0.3141(6) 1.5969(6) 0.6499(5) 0.033(3) Uani 1 1 d . . . . .
H10 H 0.313004 1.639060 0.641535 0.040 Uiso 1 1 calc R . . . .
C132 C 0.1920(7) 1.2281(6) 0.2444(5) 0.039(3) Uani 1 1 d . . . . .
C46 C 0.2608(8) 1.0471(7) 0.3549(7) 0.056(4) Uani 1 1 d . . . . .
H46 H 0.220166 0.997649 0.345107 0.067 Uiso 1 1 calc R . . . .
C50 C 0.3082(8) 1.6218(7) 0.4038(8) 0.071(5) Uani 1 1 d . . . . .
H50A H 0.359084 1.610957 0.402479 0.107 Uiso 1 1 calc GR . . . .
H50B H 0.306816 1.649651 0.446752 0.107 Uiso 1 1 calc GR . . . .
H50C H 0.307960 1.652351 0.379564 0.107 Uiso 1 1 calc GR . . . .
C67 C 0.4973(9) 1.2550(8) 0.6185(6) 0.061(4) Uani 1 1 d . . . . .
H67A H 0.557480 1.270691 0.632027 0.091 Uiso 1 1 calc GR . . . .
H67B H 0.467380 1.236157 0.647341 0.091 Uiso 1 1 calc GR . . . .
H67C H 0.485560 1.298468 0.617687 0.091 Uiso 1 1 calc GR . . . .
C24 C 0.4953(8) 1.4267(8) 0.2293(5) 0.048(3) Uani 1 1 d . . . . .
C29 C 0.4994(7) 1.3677(7) 0.2418(5) 0.044(3) Uani 1 1 d . . . . .
C15 C 0.3359(8) 1.3570(7) 0.6430(5) 0.042(3) Uani 1 1 d . . . . .
H15 H 0.335659 1.312824 0.648369 0.050 Uiso 1 1 calc R . . . .
C26 C 0.4439(7) 1.4697(8) 0.3234(6) 0.045(3) Uani 1 1 d . . . . .
H26 H 0.422251 1.503553 0.349190 0.054 Uiso 1 1 calc R . . . .
C96 C 0.0130(7) 0.8034(6) -0.0171(5) 0.033(3) Uani 1 1 d . . . . .
C100 C -0.0681(9) 0.8447(8) 0.1513(6) 0.053(4) Uani 1 1 d . . . . .
H100 H -0.086239 0.856991 0.189594 0.064 Uiso 1 1 calc R . . . .
C54 C 0.1740(7) 1.4722(7) 0.4416(6) 0.046(3) Uani 1 1 d . . . . .
H54 H 0.126240 1.484005 0.437146 0.055 Uiso 1 1 calc R . . . .
C65 C 0.5091(7) 1.2255(6) 0.5077(5) 0.035(3) Uani 1 1 d . . . . .
C60 C 0.7486(10) 1.2567(10) 0.4292(9) 0.083(5) Uani 1 1 d . . . . .
H60A H 0.747919 1.297713 0.416777 0.125 Uiso 1 1 calc GR . . . .
H60B H 0.793778 1.241076 0.414522 0.125 Uiso 1 1 calc GR . . . .
H60C H 0.757819 1.274372 0.474350 0.125 Uiso 1 1 calc GR . . . .
C116 C 0.2770(9) 0.8234(7) 0.0262(6) 0.052(3) Uani 1 1 d . . . . .
H116 H 0.306674 0.791122 0.013085 0.063 Uiso 1 1 calc R . . . .
C95 C 0.0453(7) 0.7477(6) -0.0355(5) 0.037(3) Uani 1 1 d . . . . .
H95 H 0.061978 0.736370 -0.074363 0.044 Uiso 1 1 calc R . . . .
C44 C 0.3082(7) 1.1842(6) 0.4009(5) 0.036(3) Uani 1 1 d . . . . .
C101 C -0.0775(8) 0.8796(7) 0.1122(5) 0.042(3) Uani 1 1 d . . . . .
H101 H -0.102111 0.916014 0.124671 0.050 Uiso 1 1 calc R . . . .
C134 C 0.2009(8) 1.2847(7) 0.1631(5) 0.042(3) Uani 1 1 d . . . . .
H134 H 0.216160 1.332062 0.196719 0.050 Uiso 1 1 calc R . . . .
C107 C 0.1954(10) 0.8341(7) 0.2840(6) 0.056(4) Uani 1 1 d . . . . .
C30 C 0.5256(8) 1.3104(8) 0.2028(6) 0.054(4) Uani 1 1 d . . . . .
H30 H 0.541892 1.313417 0.165603 0.065 Uiso 1 1 calc R . . . .
C62 C 0.6664(9) 1.1905(8) 0.4014(7) 0.054(4) Uani 1 1 d . . . . .
N3 N 0.5191(7) 1.4295(8) 0.1716(5) 0.064(3) Uani 1 1 d . . . . .
C48 C 0.3936(8) 1.1288(7) 0.3499(6) 0.050(3) Uani 1 1 d . . . . .
H48 H 0.444732 1.133475 0.335989 0.060 Uiso 1 1 calc R . . . .
C36 C -0.1576(13) 0.8617(11) 0.3992(9) 0.091(6) Uani 1 1 d . U . . .
H36 H -0.215419 0.852730 0.393160 0.110 Uiso 1 1 calc R . . . .
C82 C 0.3773(8) 1.0907(8) -0.1078(6) 0.053(4) Uani 1 1 d . . . . .
C139 C 0.1990(11) 1.3512(8) 0.0341(7) 0.076(5) Uani 1 1 d . . . . .
H13D H 0.206219 1.310814 0.000122 0.113 Uiso 1 1 calc GR . . . .
H13E H 0.223749 1.399248 0.028809 0.113 Uiso 1 1 calc GR . . . .
H13F H 0.139271 1.339102 0.033828 0.113 Uiso 1 1 calc GR . . . .
O8 O 0.5066(4) 1.4391(4) 0.5133(3) 0.0263(15) Uani 1 1 d D . . . .
C135 C 0.2054(8) 1.2863(7) 0.1059(6) 0.045(3) Uani 1 1 d . . . . .
C115 C 0.2598(9) 0.8417(7) 0.0832(6) 0.050(3) Uani 1 1 d . . . . .
H115 H 0.276304 0.821397 0.110311 0.060 Uiso 1 1 calc R . . . .
C123 C 0.1196(8) 0.8325(6) -0.2405(5) 0.044(3) Uani 1 1 d . . . . .
H123 H 0.124648 0.810320 -0.282216 0.052 Uiso 1 1 calc R . . . .
C66 C 0.4684(8) 1.1926(7) 0.5541(5) 0.045(3) Uani 1 1 d . . . . .
C92 C 0.0358(10) 0.6215(7) 0.0811(6) 0.059(4) Uani 1 1 d . . . . .
H92 H 0.021653 0.591113 0.038113 0.070 Uiso 1 1 calc R . . . .
C31 C 0.5274(9) 1.2538(8) 0.2176(7) 0.061(4) Uani 1 1 d . . . . .
H31 H 0.539720 1.213954 0.189663 0.073 Uiso 1 1 calc R . . . .
C68 C 0.3738(8) 1.1653(8) 0.5340(7) 0.055(4) Uani 1 1 d . . . . .
H68A H 0.345850 1.146298 0.563488 0.083 Uiso 1 1 calc GR . . . .
H68B H 0.355360 1.124513 0.492769 0.083 Uiso 1 1 calc GR . . . .
H68C H 0.359623 1.207444 0.532920 0.083 Uiso 1 1 calc GR . . . .
C183 C 0.0949(9) 1.3951(9) 0.4995(7) 0.061(4) Uani 1 1 d D U . . .
C75 C 0.5623(10) 1.2859(8) -0.1593(7) 0.064(4) Uani 1 1 d . . . . .
C38 C -0.0208(8) 0.9457(8) 0.4008(8) 0.066(4) Uani 1 1 d . . . . .
C45 C 0.2448(8) 1.1109(7) 0.3887(6) 0.046(3) Uani 1 1 d . . . . .
C23 C 0.5428(9) 1.4905(9) 0.1643(7) 0.061(4) Uani 1 1 d . . . . .
H23 H 0.546925 1.536184 0.196125 0.073 Uiso 1 1 calc R . . . .
C121 C 0.1239(9) 0.9447(8) -0.2665(6) 0.048(3) Uani 1 1 d . . . . .
C102 C 0.1446(12) 0.8172(9) 0.3240(7) 0.077(5) Uani 1 1 d . . . . .
H102 H 0.094024 0.825421 0.321921 0.092 Uiso 1 1 calc R . . . .
C64 C 0.5613(8) 1.1962(7) 0.4740(5) 0.040(3) Uani 1 1 d . . . . .
H64 H 0.572680 1.157487 0.481980 0.048 Uiso 1 1 calc R . . . .
C69 C 0.4890(11) 1.1253(9) 0.5547(8) 0.077(5) Uani 1 1 d . . . . .
H69A H 0.549739 1.141307 0.565449 0.115 Uiso 1 1 calc GR . . . .
H69B H 0.467677 1.084214 0.513619 0.115 Uiso 1 1 calc GR . . . .
H69C H 0.462822 1.107579 0.585259 0.115 Uiso 1 1 calc GR . . . .
C80 C 0.2580(8) 1.1001(7) -0.0577(7) 0.051(3) Uani 1 1 d . . . . .
C2 C 0.2154(11) 1.6073(10) 0.9758(7) 0.073(5) Uani 1 1 d . . . . .
H2 H 0.215647 1.649704 1.009586 0.088 Uiso 1 1 calc R . . . .
C117 C 0.2505(9) 0.8525(7) -0.0134(6) 0.050(3) Uani 1 1 d . . . . .
H117 H 0.262353 0.838622 -0.053816 0.060 Uiso 1 1 calc R . . . .
C103 C 0.1614(15) 0.7893(10) 0.3665(7) 0.088(6) Uani 1 1 d . . . . .
H103 H 0.123370 0.777638 0.392476 0.105 Uiso 1 1 calc R . . . .
C76 C 0.4853(10) 1.2483(8) -0.1416(7) 0.066(4) Uani 1 1 d . . . . .
H76 H 0.438353 1.260927 -0.147359 0.079 Uiso 1 1 calc R . . . .
C1 C 0.1906(10) 1.5377(10) 0.9790(7) 0.072(5) Uani 1 1 d . . . . .
H1 H 0.176016 1.531562 1.015723 0.086 Uiso 1 1 calc R . . . .
C59 C 0.6496(10) 1.1702(9) 0.3322(7) 0.076(5) Uani 1 1 d . . . . .
H59A H 0.598348 1.124552 0.312738 0.114 Uiso 1 1 calc GR . . . .
H59B H 0.696623 1.160614 0.315099 0.114 Uiso 1 1 calc GR . . . .
H59C H 0.642825 1.212147 0.324167 0.114 Uiso 1 1 calc GR . . . .
C131 C 0.1142(9) 1.1782(7) 0.2579(6) 0.058(4) Uani 1 1 d . . . . .
H13G H 0.097739 1.125674 0.228782 0.087 Uiso 1 1 calc GR . . . .
H13H H 0.068795 1.195382 0.253338 0.087 Uiso 1 1 calc GR . . . .
H13I H 0.125744 1.181350 0.300229 0.087 Uiso 1 1 calc GR . . . .
C86 C 0.0758(7) 0.6301(4) 0.1868(4) 0.071(5) Uani 1 1 d . . . . .
H86 H 0.089194 0.683121 0.201722 0.085 Uiso 1 1 calc R . . . .
C87 C 0.0848(8) 0.5966(5) 0.2278(3) 0.102(7) Uani 1 1 d G . . . .
H87 H 0.104306 0.626634 0.270765 0.122 Uiso 1 1 calc R . . . .
C88 C 0.0652(8) 0.5190(6) 0.2060(5) 0.096(7) Uani 1 1 d G . . . .
H88 H 0.071358 0.496077 0.234003 0.115 Uiso 1 1 calc R . . . .
C89 C 0.0367(9) 0.4750(4) 0.1431(5) 0.112(8) Uani 1 1 d G . . . .
H89 H 0.023298 0.422007 0.128199 0.135 Uiso 1 1 calc R . . . .
C90 C 0.0277(9) 0.5086(5) 0.1021(4) 0.117(9) Uani 1 1 d G . . . .
H90 H 0.008186 0.478493 0.059156 0.141 Uiso 1 1 calc R . . . .
C91 C 0.0473(7) 0.5861(5) 0.1239(4) 0.051(3) Uani 1 1 d G . . . .
C138 C 0.3329(11) 1.3668(12) 0.0898(10) 0.121(9) Uani 1 1 d . . . . .
H13J H 0.333658 1.329370 0.050428 0.182 Uiso 1 1 calc GR . . . .
H13K H 0.357392 1.358664 0.124070 0.182 Uiso 1 1 calc GR . . . .
H13L H 0.365365 1.417887 0.092170 0.182 Uiso 1 1 calc GR . . . .
C129 C 0.2204(10) 1.3087(7) 0.2925(6) 0.064(4) Uani 1 1 d . . . . .
H12G H 0.229707 1.308496 0.333939 0.096 Uiso 1 1 calc GR . . . .
H12H H 0.177202 1.328652 0.289005 0.096 Uiso 1 1 calc GR . . . .
H12I H 0.272516 1.340633 0.285446 0.096 Uiso 1 1 calc GR . . . .
C77 C 0.4034(9) 1.1668(7) -0.1000(7) 0.057(4) Uani 1 1 d . . . . .
C22 C 0.5652(10) 1.4890(10) 0.1020(7) 0.070(4) Uani 1 1 d . . . . .
C6 C 0.1872(11) 1.4766(10) 0.9284(8) 0.082(5) Uani 1 1 d . . . . .
H6 H 0.169931 1.428320 0.930858 0.099 Uiso 1 1 calc R . . . .
C78 C 0.3566(10) 1.2073(8) -0.0716(8) 0.067(4) Uani 1 1 d . . . . .
H78 H 0.373432 1.258658 -0.067088 0.081 Uiso 1 1 calc R . . . .
C18 C 0.5823(14) 1.4231(12) 0.0006(9) 0.109(7) Uani 1 1 d . . . . .
H18 H 0.577909 1.377272 -0.031315 0.131 Uiso 1 1 calc R . . . .
C35 C -0.1361(14) 0.8144(11) 0.4045(13) 0.135(11) Uani 1 1 d . . . . .
H35 H -0.177581 0.766435 0.398099 0.162 Uiso 1 1 calc R . . . .
C17 C 0.5618(11) 1.4225(10) 0.0565(8) 0.081(5) Uani 1 1 d . . . . .
H17 H 0.545456 1.376971 0.063586 0.097 Uiso 1 1 calc R . . . .
C20 C 0.6164(16) 1.5577(13) 0.0392(11) 0.122(9) Uani 1 1 d . . . . .
H20 H 0.636543 1.604347 0.033836 0.147 Uiso 1 1 calc R . . . .
C119 C 0.0576(11) 0.9763(9) -0.2662(7) 0.074(5) Uani 1 1 d . . . . .
H11A H 0.004359 0.935405 -0.290479 0.111 Uiso 1 1 calc GR . . . .
H11B H 0.073506 1.014480 -0.284415 0.111 Uiso 1 1 calc GR . . . .
H11C H 0.051504 0.999761 -0.223587 0.111 Uiso 1 1 calc GR . . . .
C74 C 0.6352(10) 1.2765(9) -0.1439(8) 0.072(4) Uani 1 1 d . . . . .
H74 H 0.635482 1.243452 -0.123592 0.087 Uiso 1 1 calc R . . . .
C21 C 0.5937(12) 1.5555(10) 0.0951(9) 0.093(6) Uani 1 1 d . . . . .
H21 H 0.598346 1.600744 0.127881 0.111 Uiso 1 1 calc R . . . .
C61 C 0.6664(13) 1.1217(11) 0.4135(10) 0.108(8) Uani 1 1 d . . . . .
H61A H 0.688311 1.137025 0.457434 0.163 Uiso 1 1 calc GR . . . .
H61B H 0.701794 1.100039 0.388658 0.163 Uiso 1 1 calc GR . . . .
H61C H 0.609223 1.083643 0.402115 0.163 Uiso 1 1 calc GR . . . .
C127 C 0.0127(9) 0.6634(8) -0.2397(9) 0.083(5) Uani 1 1 d . . . . .
H12J H 0.001050 0.609135 -0.254553 0.124 Uiso 1 1 calc GR . . . .
H12K H -0.018866 0.673181 -0.269565 0.124 Uiso 1 1 calc GR . . . .
H12L H -0.004081 0.679662 -0.199684 0.124 Uiso 1 1 calc GR . . . .
C118 C 0.2058(13) 1.0149(12) -0.2389(10) 0.123(8) Uani 1 1 d . U . . .
H11D H 0.209884 1.039425 -0.194307 0.185 Uiso 1 1 calc GR . . . .
H11E H 0.206612 1.050465 -0.258456 0.185 Uiso 1 1 calc GR . . . .
H11F H 0.253267 0.999649 -0.246347 0.185 Uiso 1 1 calc GR . . . .
C72 C 0.7067(12) 1.3599(10) -0.1912(9) 0.087(6) Uani 1 1 d . . . . .
H72 H 0.757084 1.385078 -0.202094 0.105 Uiso 1 1 calc R . . . .
C71 C 0.6322(13) 1.3676(10) -0.2085(9) 0.091(6) Uani 1 1 d . . . . .
H71 H 0.631721 1.398170 -0.231111 0.110 Uiso 1 1 calc R . . . .
C104 C 0.2337(17) 0.7792(10) 0.3701(8) 0.101(7) Uani 1 1 d . . . . .
H104 H 0.247646 0.760755 0.399540 0.121 Uiso 1 1 calc R . . . .
C73 C 0.7053(12) 1.3155(11) -0.1585(10) 0.099(6) Uani 1 1 d . . . . .
H73 H 0.756149 1.312218 -0.145491 0.119 Uiso 1 1 calc R . . . .
C19 C 0.6090(13) 1.4894(13) -0.0091(10) 0.103(7) Uani 1 1 d . . . . .
H19 H 0.622397 1.489549 -0.047672 0.124 Uiso 1 1 calc R . . . .
C137 C 0.2440(16) 1.4234(10) 0.1458(9) 0.120(7) Uani 1 1 d . U . . .
H13M H 0.265222 1.468531 0.135970 0.179 Uiso 1 1 calc GR . . . .
H13N H 0.280950 1.430424 0.182340 0.179 Uiso 1 1 calc GR . . . .
H13O H 0.187586 1.415544 0.154242 0.179 Uiso 1 1 calc GR . . . .
C120 C 0.1186(16) 0.8956(12) -0.3321(8) 0.115(7) Uani 1 1 d . U . . .
H12M H 0.167166 0.881450 -0.334855 0.173 Uiso 1 1 calc GR . . . .
H12N H 0.117668 0.923455 -0.358593 0.173 Uiso 1 1 calc GR . . . .
H12O H 0.067312 0.849799 -0.345643 0.173 Uiso 1 1 calc GR . . . .
C37 C -0.1003(12) 0.9295(11) 0.4017(9) 0.100(6) Uani 1 1 d . U . . .
H37 H -0.120402 0.968102 0.404452 0.119 Uiso 1 1 calc R . . . .
C105 C 0.2879(14) 0.7951(12) 0.3320(9) 0.105(7) Uani 1 1 d . . . . .
H105 H 0.337949 0.786017 0.334134 0.126 Uiso 1 1 calc R . . . .
C33 C 0.0064(14) 0.8965(12) 0.4199(11) 0.118(8) Uani 1 1 d . . . . .
H33 H 0.064608 0.910824 0.433166 0.142 Uiso 1 1 calc R . . . .
N13 N 0.104(2) 0.854(2) -0.4896(16) 0.254(16) Uani 1 1 d . U . . .
C34 C -0.0501(18) 0.8269(12) 0.4200(16) 0.173(14) Uani 1 1 d . . . . .
H34 H -0.032309 0.791991 0.429457 0.207 Uiso 1 1 calc R . . . .
C56B C 0.0465(19) 1.3142(15) 0.4463(13) 0.084(7) Uani 0.50(2) 1 d D U P A 1
H56A H 0.043011 1.319045 0.406303 0.126 Uiso 0.50(2) 1 calc GR . P A 1
H56B H -0.010005 1.292093 0.453317 0.126 Uiso 0.50(2) 1 calc GR . P A 1
H56C H 0.076467 1.281257 0.446362 0.126 Uiso 0.50(2) 1 calc GR . P A 1
C57 C 0.0783(16) 1.4698(14) 0.5455(12) 0.176(11) Uani 1 1 d D U . . .
H57A H 0.116106 1.492353 0.585723 0.264 Uiso 1 1 calc GR . . . .
H57B H 0.020248 1.453675 0.551136 0.264 Uiso 1 1 calc DGR . . . .
H57C H 0.088660 1.507243 0.526656 0.264 Uiso 1 1 calc DGR . . . .
C141 C 0.166(3) 0.907(3) -0.4892(18) 0.201(15) Uani 1 1 d . U . . .
C140 C 0.225(2) 0.9692(15) -0.4993(18) 0.222(19) Uani 1 1 d . . . . .
H14A H 0.259956 0.950703 -0.526882 0.334 Uiso 1 1 calc GR . . . .
H14B H 0.260612 1.007379 -0.459689 0.334 Uiso 1 1 calc GR . . . .
H14C H 0.195226 0.991836 -0.518273 0.334 Uiso 1 1 calc GR . . . .
C56A C 0.0106(16) 1.3703(17) 0.4569(12) 0.084(7) Uani 0.50(2) 1 d D . P A 2
H56D H 0.005364 1.414497 0.452046 0.126 Uiso 0.50(2) 1 calc DGR . P A 2
H56E H -0.035223 1.347519 0.475290 0.126 Uiso 0.50(2) 1 calc DGR . P A 2
H56F H 0.008134 1.333058 0.416390 0.126 Uiso 0.50(2) 1 calc GR . P A 2
H8 H 0.515(7) 1.440(6) 0.548(2) 0.04(4) Uiso 1 1 d D . . . .
H16A H 0.017(5) 0.997(5) -0.085(3) 0.01(2) Uiso 1 1 d D . . . .


_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
Eu2 Eu2 3.9584(10) 2_686 ?
Eu2 Eu1 3.9405(8) 2_686 ?
Eu2 Eu1 3.6331(7) . ?
Eu2 O1 2.416(7) . ?
Eu2 O3 2.446(7) . ?
Eu2 O5 2.356(7) . ?
Eu2 O4 2.335(7) . ?
Eu2 O2 2.401(7) . ?
Eu2 N2 2.567(8) . ?
Eu2 C11 3.239(9) . ?
Eu2 O8 2.401(7) 2_686 ?
Eu2 O8 2.470(7) . ?
Eu1 O1 2.457(7) 2_686 ?
Eu1 O3 2.406(7) . ?
Eu1 O7 2.367(7) . ?
Eu1 O2 2.411(7) . ?
Eu1 O6 2.351(7) . ?
Eu1 N4 2.550(9) . ?
Eu1 N6 2.605(9) . ?
Eu1 O8 2.346(7) . ?
Eu4 Eu4 3.9029(11) 2_575 ?
Eu4 Eu3 3.6438(7) . ?
Eu4 Eu3 3.9117(8) 2_575 ?
Eu4 O16 2.467(7) . ?
Eu4 O16 2.371(7) 2_575 ?
Eu4 O10 2.400(7) 2_575 ?
Eu4 O11 2.424(7) . ?
Eu4 O9 2.451(7) . ?
Eu4 O14 2.326(8) . ?
Eu4 O15 2.348(7) . ?
Eu4 N10 2.570(9) 2_575 ?
Eu4 C96 3.251(10) 2_575 ?
Eu3 O16 2.338(7) . ?
Eu3 O10 2.426(7) . ?
Eu3 O13 2.331(7) . ?
Eu3 O11 2.419(7) . ?
Eu3 O12 2.351(7) . ?
Eu3 O9 2.413(7) . ?
Eu3 N12 2.585(9) . ?
Eu3 N8 2.595(10) . ?
O1 C11 1.336(11) . ?
O3 C43 1.329(12) . ?
O10 C96 1.326(12) . ?
O5 C55 1.266(13) . ?
O13 C124 1.280(13) . ?
O11 C112 1.330(12) . ?
O4 C53 1.274(12) . ?
O12 C122 1.261(13) . ?
O9 C80 1.336(14) . ?
O14 C135 1.323(15) . ?
O7 C65 1.275(12) . ?
O2 C27 1.350(12) . ?
O15 C133 1.275(12) . ?
O6 C63 1.270(13) . ?
N10 C97 1.378(13) . ?
N10 C101 1.329(13) . ?
N2 C12 1.375(12) . ?
N2 C16 1.316(12) . ?
N12 C113 1.352(13) . ?
N12 C117 1.315(14) . ?
N4 C28 1.360(14) . ?
N4 C32 1.321(14) . ?
C128 C125 1.524(17) . ?
N9 C93 1.423(13) . ?
N9 C92 1.205(15) . ?
C55 C54 1.397(16) . ?
C55 C183 1.538(17) . ?
C124 C125 1.546(16) . ?
C124 C123 1.400(15) . ?
N6 C44 1.364(14) . ?
N6 C48 1.344(14) . ?
N8 C81 1.359(15) . ?
N8 C85 1.339(14) . ?
C14 C13 1.427(14) . ?
C14 C15 1.333(15) . ?
C130 C132 1.539(18) . ?
N5 C39 1.219(16) . ?
N5 C40 1.442(17) . ?
N11 C108 1.277(16) . ?
N11 C109 1.423(14) . ?
C52 C49 1.538(16) . ?
C52 C53 1.553(14) . ?
C52 C51 1.529(16) . ?
C52 C50 1.515(16) . ?
N1 C8 1.435(13) . ?
N1 C7 1.272(14) . ?
C43 C42 1.364(15) . ?
C43 C44 1.424(15) . ?
C12 C13 1.427(14) . ?
C12 C11 1.405(14) . ?
C113 C114 1.422(15) . ?
C113 C112 1.443(14) . ?
C47 C46 1.355(18) . ?
C47 C48 1.386(17) . ?
C58 C183 1.456(19) . ?
C4 C7 1.455(16) . ?
C4 C5 1.381(18) . ?
C4 C3 1.405(19) . ?
C108 C107 1.457(17) . ?
C94 C93 1.354(15) . ?
C94 C95 1.390(15) . ?
C133 C132 1.538(15) . ?
C133 C134 1.381(15) . ?
C39 C38 1.435(17) . ?
C97 C98 1.410(15) . ?
C97 C96 1.438(14) . ?
C53 C54 1.376(16) . ?
C13 C8 1.416(14) . ?
C125 C126 1.526(17) . ?
C125 C127 1.505(18) . ?
C114 C109 1.441(15) . ?
C114 C115 1.388(16) . ?
C112 C111 1.364(15) . ?
C16 C15 1.402(15) . ?
C136 C139 1.488(18) . ?
C136 C135 1.513(15) . ?
C136 C138 1.55(2) . ?
C136 C137 1.45(2) . ?
C111 C110 1.419(15) . ?
N7 C76 1.294(17) . ?
N7 C77 1.423(16) . ?
C40 C41 1.342(17) . ?
C40 C45 1.402(17) . ?
C8 C9 1.375(15) . ?
C27 C28 1.429(16) . ?
C27 C26 1.356(16) . ?
C63 C62 1.578(16) . ?
C63 C64 1.395(16) . ?
C5 C6 1.364(18) . ?
C122 C123 1.394(16) . ?
C122 C121 1.557(15) . ?
C42 C41 1.387(16) . ?
C93 C98 1.427(15) . ?
C106 C107 1.37(2) . ?
C106 C105 1.39(2) . ?
C28 C29 1.401(15) . ?
C32 C31 1.384(18) . ?
C99 C98 1.423(16) . ?
C99 C100 1.365(17) . ?
C83 C84 1.377(17) . ?
C83 C82 1.418(17) . ?
C25 C24 1.369(19) . ?
C25 C26 1.417(17) . ?
C79 C80 1.406(17) . ?
C79 C78 1.373(18) . ?
C110 C109 1.355(16) . ?
C81 C82 1.419(17) . ?
C81 C80 1.436(17) . ?
C11 C10 1.386(14) . ?
C9 C10 1.410(15) . ?
C84 C85 1.394(17) . ?
C3 C2 1.362(19) . ?
C70 C75 1.40(2) . ?
C70 C71 1.36(2) . ?
C132 C131 1.514(16) . ?
C132 C129 1.524(16) . ?
C46 C45 1.400(17) . ?
C67 C66 1.521(18) . ?
C24 C29 1.357(18) . ?
C24 N3 1.454(15) . ?
C29 C30 1.443(17) . ?
C96 C95 1.384(14) . ?
C100 C101 1.375(16) . ?
C65 C66 1.552(15) . ?
C65 C64 1.388(15) . ?
C60 C62 1.50(2) . ?
C116 C115 1.340(17) . ?
C116 C117 1.398(16) . ?
C44 C45 1.440(16) . ?
C134 C135 1.362(16) . ?
C107 C102 1.37(2) . ?
C30 C31 1.324(19) . ?
C62 C59 1.52(2) . ?
C62 C61 1.525(19) . ?
N3 C23 1.245(17) . ?
C36 C35 1.19(3) . ?
C36 C37 1.38(2) . ?
C82 C77 1.400(17) . ?
C66 C68 1.528(18) . ?
C66 C69 1.535(17) . ?
C92 C91 1.465(14) . ?
C183 C56B 1.58(3) . ?
C183 C57 1.66(3) . ?
C183 C56A 1.54(2) . ?
C75 C76 1.461(18) . ?
C75 C74 1.39(2) . ?
C38 C37 1.31(2) . ?
C38 C33 1.43(3) . ?
C23 C22 1.53(2) . ?
C121 C119 1.499(18) . ?
C121 C118 1.54(2) . ?
C121 C120 1.50(2) . ?
C102 C103 1.37(2) . ?
C2 C1 1.37(2) . ?
C103 C104 1.34(3) . ?
C1 C6 1.37(2) . ?
C86 C87 1.3900 . ?
C86 C91 1.3900 . ?
C87 C88 1.3900 . ?
C88 C89 1.3900 . ?
C89 C90 1.3900 . ?
C90 C91 1.3900 . ?
C77 C78 1.389(18) . ?
C22 C17 1.39(2) . ?
C22 C21 1.35(2) . ?
C18 C17 1.38(2) . ?
C18 C19 1.38(2) . ?
C35 C34 1.43(3) . ?
C20 C21 1.40(2) . ?
C20 C19 1.42(3) . ?
C74 C73 1.34(2) . ?
C72 C71 1.41(2) . ?
C72 C73 1.37(2) . ?
C104 C105 1.37(3) . ?
C33 C34 1.42(3) . ?
N13 C141 1.24(4) . ?
C141 C140 1.44(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Eu1 Eu2 Eu2 54.766(14) 2_686 2_686 ?
Eu1 Eu2 Eu2 62.365(16) . 2_686 ?
Eu1 Eu2 Eu1 117.131(16) . 2_686 ?
O1 Eu2 Eu2 84.90(16) . 2_686 ?
O1 Eu2 Eu1 140.91(17) . . ?
O1 Eu2 Eu1 36.39(15) . 2_686 ?
O1 Eu2 O3 143.8(2) . . ?
O1 Eu2 N2 65.8(2) . . ?
O1 Eu2 C11 21.7(2) . . ?
O1 Eu2 O8 101.2(2) . . ?
O3 Eu2 Eu2 101.18(16) . 2_686 ?
O3 Eu2 Eu1 152.79(16) . 2_686 ?
O3 Eu2 Eu1 41.11(16) . . ?
O3 Eu2 N2 78.1(2) . . ?
O3 Eu2 C11 122.9(2) . . ?
O3 Eu2 O8 69.7(2) . . ?
O5 Eu2 Eu2 164.2(2) . 2_686 ?
O5 Eu2 Eu1 115.58(19) . 2_686 ?
O5 Eu2 Eu1 125.45(18) . . ?
O5 Eu2 O1 82.0(3) . . ?
O5 Eu2 O3 84.5(2) . . ?
O5 Eu2 O2 126.2(3) . . ?
O5 Eu2 N2 72.7(3) . . ?
O5 Eu2 C11 68.5(3) . . ?
O5 Eu2 O8 140.3(2) . . ?
O5 Eu2 O8 142.6(2) . 2_686 ?
O4 Eu2 Eu2 116.86(18) . 2_686 ?
O4 Eu2 Eu1 125.71(17) . . ?
O4 Eu2 Eu1 85.16(18) . 2_686 ?
O4 Eu2 O1 86.9(2) . . ?
O4 Eu2 O3 120.1(2) . . ?
O4 Eu2 O5 71.3(2) . . ?
O4 Eu2 O2 85.7(2) . . ?
O4 Eu2 N2 137.2(2) . . ?
O4 Eu2 C11 98.0(3) . . ?
O4 Eu2 O8 147.8(2) . . ?
O4 Eu2 O8 82.8(2) . 2_686 ?
O2 Eu2 Eu2 69.27(18) . 2_686 ?
O2 Eu2 Eu1 41.08(16) . . ?
O2 Eu2 Eu1 109.84(17) . 2_686 ?
O2 Eu2 O1 146.0(2) . . ?
O2 Eu2 O3 65.9(2) . . ?
O2 Eu2 N2 135.2(2) . . ?
O2 Eu2 C11 165.1(2) . . ?
O2 Eu2 O8 76.4(2) . 2_686 ?
O2 Eu2 O8 70.2(2) . . ?
N2 Eu2 Eu2 93.86(18) . 2_686 ?
N2 Eu2 Eu1 94.14(17) . . ?
N2 Eu2 Eu1 90.06(17) . 2_686 ?
N2 Eu2 C11 46.6(2) . . ?
C11 Eu2 Eu2 96.36(18) . 2_686 ?
C11 Eu2 Eu1 56.45(17) . 2_686 ?
C11 Eu2 Eu1 136.06(19) . . ?
O8 Eu2 Eu2 36.22(17) 2_686 2_686 ?
O8 Eu2 Eu2 35.06(16) . 2_686 ?
O8 Eu2 Eu1 33.44(16) 2_686 2_686 ?
O8 Eu2 Eu1 83.48(15) . 2_686 ?
O8 Eu2 Eu1 39.76(15) . . ?
O8 Eu2 Eu1 91.49(16) 2_686 . ?
O8 Eu2 O1 69.8(2) 2_686 . ?
O8 Eu2 O3 132.6(2) 2_686 . ?
O8 Eu2 N2 114.4(2) 2_686 . ?
O8 Eu2 N2 72.9(2) . . ?
O8 Eu2 C11 89.7(2) 2_686 . ?
O8 Eu2 C11 100.5(2) . . ?
O8 Eu2 O8 71.3(3) 2_686 . ?
Eu2 Eu1 Eu2 62.867(16) . 2_686 ?
O1 Eu1 Eu2 91.83(15) 2_686 . ?
O1 Eu1 Eu2 35.69(15) 2_686 2_686 ?
O1 Eu1 N4 79.9(3) 2_686 . ?
O1 Eu1 N6 157.0(2) 2_686 . ?
O3 Eu1 Eu2 102.45(16) . 2_686 ?
O3 Eu1 Eu2 41.95(16) . . ?
O3 Eu1 O1 133.8(2) . 2_686 ?
O3 Eu1 O2 66.3(2) . . ?
O3 Eu1 N4 107.9(3) . . ?
O3 Eu1 N6 65.1(3) . . ?
O7 Eu1 Eu2 102.92(18) . 2_686 ?
O7 Eu1 Eu2 102.46(17) . . ?
O7 Eu1 O1 118.7(2) . 2_686 ?
O7 Eu1 O3 80.8(2) . . ?
O7 Eu1 O2 142.8(2) . . ?
O7 Eu1 N4 145.7(3) . . ?
O7 Eu1 N6 72.5(3) . . ?
O2 Eu1 Eu2 40.87(15) . . ?
O2 Eu1 Eu2 69.56(17) . 2_686 ?
O2 Eu1 O1 77.2(2) . 2_686 ?
O2 Eu1 N4 65.7(3) . . ?
O2 Eu1 N6 106.4(3) . . ?
O6 Eu1 Eu2 109.40(19) . 2_686 ?
O6 Eu1 Eu2 170.3(2) . . ?
O6 Eu1 O1 83.4(2) . 2_686 ?
O6 Eu1 O3 142.2(2) . . ?
O6 Eu1 O7 72.8(2) . . ?
O6 Eu1 O2 144.5(2) . . ?
O6 Eu1 N4 81.9(3) . . ?
O6 Eu1 N6 81.2(3) . . ?
N4 Eu1 Eu2 107.2(2) . 2_686 ?
N4 Eu1 Eu2 105.6(2) . . ?
N4 Eu1 N6 81.2(3) . . ?
N6 Eu1 Eu2 167.0(2) . 2_686 ?
N6 Eu1 Eu2 105.7(2) . . ?
O8 Eu1 Eu2 42.32(18) . . ?
O8 Eu1 Eu2 34.34(17) . 2_686 ?
O8 Eu1 O1 70.0(2) . 2_686 ?
O8 Eu1 O3 72.4(2) . . ?
O8 Eu1 O7 82.0(2) . . ?
O8 Eu1 O2 72.1(2) . . ?
O8 Eu1 O6 128.0(3) . . ?
O8 Eu1 N4 132.4(3) . . ?
O8 Eu1 N6 133.0(3) . . ?
Eu4 Eu4 Eu3 55.586(16) 2_575 2_575 ?
Eu3 Eu4 Eu4 62.332(16) . 2_575 ?
Eu3 Eu4 Eu3 117.918(17) . 2_575 ?
O16 Eu4 Eu4 37.08(17) 2_575 2_575 ?
O16 Eu4 Eu4 35.40(16) . 2_575 ?
O16 Eu4 Eu3 84.65(17) . 2_575 ?
O16 Eu4 Eu3 39.38(17) . . ?
O16 Eu4 Eu3 92.29(16) 2_575 . ?
O16 Eu4 Eu3 33.56(17) 2_575 2_575 ?
O16 Eu4 O16 72.5(3) 2_575 . ?
O16 Eu4 O10 69.5(2) 2_575 2_575 ?
O16 Eu4 O11 77.1(2) 2_575 . ?
O16 Eu4 O9 133.4(2) 2_575 . ?
O16 Eu4 N10 115.0(3) 2_575 2_575 ?
O16 Eu4 N10 74.2(2) . 2_575 ?
O16 Eu4 C96 88.7(3) 2_575 2_575 ?
O16 Eu4 C96 101.5(3) . 2_575 ?
O10 Eu4 Eu4 85.73(17) 2_575 2_575 ?
O10 Eu4 Eu3 36.08(16) 2_575 2_575 ?
O10 Eu4 Eu3 141.99(17) 2_575 . ?
O10 Eu4 O16 102.6(2) 2_575 . ?
O10 Eu4 O11 146.4(2) 2_575 . ?
O10 Eu4 O9 144.1(2) 2_575 . ?
O10 Eu4 N10 65.7(2) 2_575 2_575 ?
O10 Eu4 C96 21.0(2) 2_575 2_575 ?
O11 Eu4 Eu4 69.60(19) . 2_575 ?
O11 Eu4 Eu3 110.71(19) . 2_575 ?
O11 Eu4 Eu3 41.15(18) . . ?
O11 Eu4 O16 70.3(2) . . ?
O11 Eu4 O9 65.8(2) . . ?
O11 Eu4 N10 136.4(3) . 2_575 ?
O11 Eu4 C96 165.2(3) . 2_575 ?
O9 Eu4 Eu4 101.06(18) . 2_575 ?
O9 Eu4 Eu3 153.29(19) . 2_575 ?
O9 Eu4 Eu3 41.10(17) . . ?
O9 Eu4 O16 69.1(3) . . ?
O9 Eu4 N10 78.6(3) . 2_575 ?
O9 Eu4 C96 123.8(3) . 2_575 ?
O14 Eu4 Eu4 165.0(2) . 2_575 ?
O14 Eu4 Eu3 126.4(2) . . ?
O14 Eu4 Eu3 114.2(2) . 2_575 ?
O14 Eu4 O16 140.5(3) . 2_575 ?
O14 Eu4 O16 141.8(2) . . ?
O14 Eu4 O10 81.2(3) . 2_575 ?
O14 Eu4 O11 125.3(3) . . ?
O14 Eu4 O9 85.6(3) . . ?
O14 Eu4 O15 71.9(2) . . ?
O14 Eu4 N10 73.1(3) . 2_575 ?
O14 Eu4 C96 68.8(3) . 2_575 ?
O15 Eu4 Eu4 115.27(18) . 2_575 ?
O15 Eu4 Eu3 122.49(18) . . ?
O15 Eu4 Eu3 85.74(19) . 2_575 ?
O15 Eu4 O16 145.3(2) . . ?
O15 Eu4 O16 81.2(3) . 2_575 ?
O15 Eu4 O10 88.5(3) . 2_575 ?
O15 Eu4 O11 82.2(2) . . ?
O15 Eu4 O9 118.7(3) . . ?
O15 Eu4 N10 139.1(2) . 2_575 ?
O15 Eu4 C96 100.1(3) . 2_575 ?
N10 Eu4 Eu4 94.9(2) 2_575 2_575 ?
N10 Eu4 Eu3 89.9(2) 2_575 2_575 ?
N10 Eu4 Eu3 95.34(18) 2_575 . ?
N10 Eu4 C96 46.8(3) 2_575 2_575 ?
C96 Eu4 Eu4 96.4(2) 2_575 2_575 ?
C96 Eu4 Eu3 55.26(19) 2_575 2_575 ?
C96 Eu4 Eu3 137.0(2) 2_575 . ?
Eu4 Eu3 Eu4 62.083(17) . 2_575 ?
O16 Eu3 Eu4 42.04(18) . . ?
O16 Eu3 Eu4 34.10(17) . 2_575 ?
O16 Eu3 O10 69.6(2) . . ?
O16 Eu3 O11 72.6(2) . . ?
O16 Eu3 O12 79.9(2) . . ?
O16 Eu3 O9 71.9(3) . . ?
O16 Eu3 N12 133.0(3) . . ?
O16 Eu3 N8 132.2(3) . . ?
O10 Eu3 Eu4 91.41(16) . . ?
O10 Eu3 Eu4 35.63(16) . 2_575 ?
O10 Eu3 N12 82.2(3) . . ?
O10 Eu3 N8 158.2(3) . . ?
O13 Eu3 Eu4 169.6(2) . . ?
O13 Eu3 Eu4 109.64(19) . 2_575 ?
O13 Eu3 O16 127.6(3) . . ?
O13 Eu3 O10 83.4(2) . . ?
O13 Eu3 O11 144.5(2) . . ?
O13 Eu3 O12 72.9(3) . . ?
O13 Eu3 O9 142.4(2) . . ?
O13 Eu3 N12 83.1(3) . . ?
O13 Eu3 N8 80.7(3) . . ?
O11 Eu3 Eu4 69.46(18) . 2_575 ?
O11 Eu3 Eu4 41.26(16) . . ?
O11 Eu3 O10 77.4(2) . . ?
O11 Eu3 N12 65.0(3) . . ?
O11 Eu3 N8 107.7(3) . . ?
O12 Eu3 Eu4 100.7(2) . 2_575 ?
O12 Eu3 Eu4 101.62(18) . . ?
O12 Eu3 O10 116.1(3) . . ?
O12 Eu3 O11 142.5(2) . . ?
O12 Eu3 O9 81.3(3) . . ?
O12 Eu3 N12 147.1(3) . . ?
O12 Eu3 N8 73.1(3) . . ?
O9 Eu3 Eu4 41.89(17) . . ?
O9 Eu3 Eu4 101.57(18) . 2_575 ?
O9 Eu3 O10 133.3(2) . . ?
O9 Eu3 O11 66.5(2) . . ?
O9 Eu3 N12 106.6(3) . . ?
O9 Eu3 N8 65.6(3) . . ?
N12 Eu3 Eu4 105.2(2) . . ?
N12 Eu3 Eu4 108.6(2) . 2_575 ?
N12 Eu3 N8 81.1(3) . . ?
N8 Eu3 Eu4 166.2(2) . 2_575 ?
N8 Eu3 Eu4 106.5(2) . . ?
Eu4 O16 Eu4 107.5(3) 2_575 . ?
Eu3 O16 Eu4 98.6(3) . . ?
Eu3 O16 Eu4 112.3(3) . 2_575 ?
Eu2 O1 Eu1 107.9(2) . 2_686 ?
C11 O1 Eu2 116.3(6) . . ?
C11 O1 Eu1 128.5(6) . 2_686 ?
Eu1 O3 Eu2 96.9(2) . . ?
C43 O3 Eu2 139.8(6) . . ?
C43 O3 Eu1 122.9(6) . . ?
Eu4 O10 Eu3 108.3(3) 2_575 . ?
C96 O10 Eu4 118.6(6) . 2_575 ?
C96 O10 Eu3 125.5(7) . . ?
C55 O5 Eu2 135.6(7) . . ?
C124 O13 Eu3 136.6(7) . . ?
Eu3 O11 Eu4 97.6(3) . . ?
C112 O11 Eu4 141.5(7) . . ?
C112 O11 Eu3 120.5(6) . . ?
C53 O4 Eu2 135.5(7) . . ?
C122 O12 Eu3 134.6(7) . . ?
Eu3 O9 Eu4 97.0(3) . . ?
C80 O9 Eu4 141.9(7) . . ?
C80 O9 Eu3 120.9(7) . . ?
C135 O14 Eu4 135.2(7) . . ?
C65 O7 Eu1 133.2(7) . . ?
Eu2 O2 Eu1 98.0(2) . . ?
C27 O2 Eu2 142.1(7) . . ?
C27 O2 Eu1 119.0(6) . . ?
C133 O15 Eu4 134.5(7) . . ?
C63 O6 Eu1 135.2(7) . . ?
C97 N10 Eu4 113.4(6) . 2_575 ?
C101 N10 Eu4 127.2(7) . 2_575 ?
C101 N10 C97 118.5(9) . . ?
C12 N2 Eu2 112.0(6) . . ?
C16 N2 Eu2 127.0(7) . . ?
C16 N2 C12 118.8(9) . . ?
C113 N12 Eu3 113.5(7) . . ?
C117 N12 Eu3 127.6(8) . . ?
C117 N12 C113 117.6(10) . . ?
C28 N4 Eu1 113.8(7) . . ?
C32 N4 Eu1 124.8(9) . . ?
C32 N4 C28 119.4(10) . . ?
C92 N9 C93 123.7(12) . . ?
O5 C55 C54 123.9(11) . . ?
O5 C55 C183 116.8(10) . . ?
C54 C55 C183 119.3(11) . . ?
O13 C124 C125 115.8(10) . . ?
O13 C124 C123 123.5(11) . . ?
C123 C124 C125 120.6(10) . . ?
C44 N6 Eu1 114.2(7) . . ?
C48 N6 Eu1 127.8(8) . . ?
C48 N6 C44 117.1(10) . . ?
C81 N8 Eu3 115.2(8) . . ?
C85 N8 Eu3 126.0(8) . . ?
C85 N8 C81 118.1(11) . . ?
C15 C14 C13 119.6(10) . . ?
C39 N5 C40 124.1(13) . . ?
C108 N11 C109 119.3(11) . . ?
C49 C52 C53 108.6(9) . . ?
C51 C52 C49 108.9(10) . . ?
C51 C52 C53 113.2(10) . . ?
C50 C52 C49 110.4(12) . . ?
C50 C52 C53 106.8(9) . . ?
C50 C52 C51 108.9(11) . . ?
C7 N1 C8 120.5(10) . . ?
O3 C43 C42 123.9(10) . . ?
O3 C43 C44 118.1(9) . . ?
C42 C43 C44 117.9(10) . . ?
N2 C12 C13 120.3(9) . . ?
N2 C12 C11 117.7(8) . . ?
C11 C12 C13 122.0(9) . . ?
N12 C113 C114 122.0(9) . . ?
N12 C113 C112 118.4(9) . . ?
C114 C113 C112 119.6(10) . . ?
C46 C47 C48 120.2(12) . . ?
C5 C4 C7 123.4(11) . . ?
C5 C4 C3 117.7(11) . . ?
C3 C4 C7 118.9(13) . . ?
N11 C108 C107 122.8(14) . . ?
C93 C94 C95 121.0(10) . . ?
O15 C133 C132 114.6(9) . . ?
O15 C133 C134 124.6(10) . . ?
C134 C133 C132 120.7(10) . . ?
N5 C39 C38 127.3(14) . . ?
N10 C97 C98 121.1(10) . . ?
N10 C97 C96 116.6(9) . . ?
C98 C97 C96 122.2(10) . . ?
O4 C53 C52 115.0(10) . . ?
O4 C53 C54 124.6(10) . . ?
C54 C53 C52 120.4(10) . . ?
C14 C13 C12 118.0(9) . . ?
C8 C13 C14 123.6(10) . . ?
C8 C13 C12 118.4(9) . . ?
C128 C125 C124 109.2(10) . . ?
C128 C125 C126 109.2(10) . . ?
C126 C125 C124 113.0(11) . . ?
C127 C125 C128 110.6(12) . . ?
C127 C125 C124 105.4(10) . . ?
C127 C125 C126 109.4(12) . . ?
C113 C114 C109 119.2(10) . . ?
C115 C114 C113 117.3(11) . . ?
C115 C114 C109 123.6(11) . . ?
O11 C112 C113 117.1(9) . . ?
O11 C112 C111 124.3(10) . . ?
C111 C112 C113 118.6(10) . . ?
N2 C16 C15 123.7(10) . . ?
C139 C136 C135 112.6(11) . . ?
C139 C136 C138 108.3(13) . . ?
C135 C136 C138 103.2(11) . . ?
C137 C136 C139 113.1(14) . . ?
C137 C136 C135 111.5(11) . . ?
C137 C136 C138 107.5(16) . . ?
C112 C111 C110 121.9(10) . . ?
C76 N7 C77 117.7(13) . . ?
C41 C40 N5 122.9(13) . . ?
C41 C40 C45 120.1(11) . . ?
C45 C40 N5 116.5(12) . . ?
C13 C8 N1 116.9(10) . . ?
C9 C8 N1 124.1(10) . . ?
C9 C8 C13 118.9(10) . . ?
O2 C27 C28 117.5(10) . . ?
O2 C27 C26 123.9(11) . . ?
C26 C27 C28 118.6(10) . . ?
O6 C63 C62 115.0(10) . . ?
O6 C63 C64 125.0(10) . . ?
C64 C63 C62 119.9(10) . . ?
N1 C7 C4 120.9(12) . . ?
C6 C5 C4 119.3(14) . . ?
O12 C122 C123 124.6(10) . . ?
O12 C122 C121 116.6(10) . . ?
C123 C122 C121 118.9(10) . . ?
C43 C42 C41 122.1(11) . . ?
N9 C93 C98 114.3(10) . . ?
C94 C93 N9 125.7(10) . . ?
C94 C93 C98 119.8(10) . . ?
C107 C106 C105 120.9(17) . . ?
N4 C28 C27 118.1(9) . . ?
N4 C28 C29 121.6(11) . . ?
C29 C28 C27 120.3(11) . . ?
C40 C41 C42 121.6(12) . . ?
N4 C32 C31 123.1(13) . . ?
C100 C99 C98 119.4(11) . . ?
C84 C83 C82 120.1(11) . . ?
C24 C25 C26 120.9(13) . . ?
C78 C79 C80 120.4(12) . . ?
C109 C110 C111 121.0(10) . . ?
N8 C81 C82 122.8(11) . . ?
N8 C81 C80 117.0(11) . . ?
C82 C81 C80 120.2(11) . . ?
C97 C98 C93 118.2(10) . . ?
C97 C98 C99 117.6(10) . . ?
C99 C98 C93 124.1(10) . . ?
N11 C109 C114 116.2(10) . . ?
C110 C109 N11 123.9(10) . . ?
C110 C109 C114 119.7(10) . . ?
O1 C11 Eu2 42.0(4) . . ?
O1 C11 C12 119.7(9) . . ?
O1 C11 C10 122.6(9) . . ?
C12 C11 Eu2 81.6(6) . . ?
C10 C11 Eu2 154.7(8) . . ?
C10 C11 C12 117.7(9) . . ?
C8 C9 C10 121.9(10) . . ?
C83 C84 C85 118.8(11) . . ?
C2 C3 C4 122.0(15) . . ?
N8 C85 C84 123.4(11) . . ?
C71 C70 C75 119.7(17) . . ?
C11 C10 C9 120.7(10) . . ?
C133 C132 C130 106.1(10) . . ?
C131 C132 C130 108.9(11) . . ?
C131 C132 C133 110.2(10) . . ?
C131 C132 C129 109.0(10) . . ?
C129 C132 C130 108.0(11) . . ?
C129 C132 C133 114.4(10) . . ?
C47 C46 C45 119.4(12) . . ?
C25 C24 N3 124.4(13) . . ?
C29 C24 C25 120.5(11) . . ?
C29 C24 N3 115.1(12) . . ?
C28 C29 C30 115.5(12) . . ?
C24 C29 C28 119.7(11) . . ?
C24 C29 C30 124.8(12) . . ?
C14 C15 C16 119.6(10) . . ?
C27 C26 C25 119.8(12) . . ?
O10 C96 Eu4 40.4(5) . 2_575 ?
O10 C96 C97 118.8(9) . . ?
O10 C96 C95 126.1(10) . . ?
C97 C96 Eu4 81.9(6) . 2_575 ?
C95 C96 Eu4 158.1(8) . 2_575 ?
C95 C96 C97 115.0(10) . . ?
C99 C100 C101 119.6(11) . . ?
C53 C54 C55 124.3(11) . . ?
O7 C65 C66 115.1(10) . . ?
O7 C65 C64 124.6(10) . . ?
C64 C65 C66 120.3(10) . . ?
C115 C116 C117 118.8(12) . . ?
C96 C95 C94 123.6(10) . . ?
N6 C44 C43 118.5(9) . . ?
N6 C44 C45 122.0(11) . . ?
C43 C44 C45 119.5(10) . . ?
N10 C101 C100 123.6(11) . . ?
C135 C134 C133 126.5(12) . . ?
C106 C107 C108 122.0(14) . . ?
C106 C107 C102 115.9(14) . . ?
C102 C107 C108 122.1(15) . . ?
C31 C30 C29 121.7(12) . . ?
C60 C62 C63 106.1(11) . . ?
C60 C62 C59 108.1(13) . . ?
C60 C62 C61 112.2(15) . . ?
C59 C62 C63 108.3(11) . . ?
C59 C62 C61 109.2(13) . . ?
C61 C62 C63 112.8(11) . . ?
C23 N3 C24 120.3(14) . . ?
N6 C48 C47 123.7(11) . . ?
C35 C36 C37 121(2) . . ?
C83 C82 C81 116.7(11) . . ?
C77 C82 C83 123.1(11) . . ?
C77 C82 C81 120.1(12) . . ?
Eu2 O8 Eu2 108.7(3) 2_686 . ?
Eu1 O8 Eu2 97.9(3) . . ?
Eu1 O8 Eu2 112.2(3) . 2_686 ?
O14 C135 C136 114.0(10) . . ?
O14 C135 C134 121.7(11) . . ?
C134 C135 C136 124.2(12) . . ?
C116 C115 C114 120.4(11) . . ?
C122 C123 C124 124.8(11) . . ?
C67 C66 C65 109.0(10) . . ?
C67 C66 C68 109.7(11) . . ?
C67 C66 C69 109.7(11) . . ?
C68 C66 C65 107.0(10) . . ?
C68 C66 C69 108.4(12) . . ?
C69 C66 C65 112.9(10) . . ?
N9 C92 C91 124.3(12) . . ?
C30 C31 C32 118.5(13) . . ?
C55 C183 C56B 102.3(15) . . ?
C55 C183 C57 106.0(13) . . ?
C55 C183 C56A 115.8(15) . . ?
C58 C183 C55 114.1(12) . . ?
C58 C183 C56B 96.8(16) . . ?
C58 C183 C57 95.6(15) . . ?
C58 C183 C56A 126.5(16) . . ?
C56B C183 C57 140.9(17) . . ?
C56A C183 C57 88.4(12) . . ?
C70 C75 C76 118.5(16) . . ?
C74 C75 C70 120.9(14) . . ?
C74 C75 C76 120.5(14) . . ?
C37 C38 C39 126.3(16) . . ?
C37 C38 C33 109.9(16) . . ?
C33 C38 C39 118.4(14) . . ?
C40 C45 C44 118.7(11) . . ?
C46 C45 C40 123.7(12) . . ?
C46 C45 C44 117.7(11) . . ?
N3 C23 C22 117.5(15) . . ?
C119 C121 C122 110.4(10) . . ?
C119 C121 C118 104.3(14) . . ?
C118 C121 C122 106.2(11) . . ?
C120 C121 C122 114.3(12) . . ?
C120 C121 C119 107.6(13) . . ?
C120 C121 C118 113.6(15) . . ?
C103 C102 C107 124.9(18) . . ?
C65 C64 C63 124.9(11) . . ?
O9 C80 C79 122.3(11) . . ?
O9 C80 C81 119.9(11) . . ?
C79 C80 C81 117.8(11) . . ?
C3 C2 C1 119.4(14) . . ?
N12 C117 C116 123.8(11) . . ?
C104 C103 C102 117.3(18) . . ?
N7 C76 C75 121.4(15) . . ?
C2 C1 C6 119.1(14) . . ?
C87 C86 C91 120.0 . . ?
C86 C87 C88 120.0 . . ?
C87 C88 C89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C89 C90 C91 120.0 . . ?
C86 C91 C92 119.8(8) . . ?
C90 C91 C92 120.2(8) . . ?
C90 C91 C86 120.0 . . ?
C82 C77 N7 116.9(12) . . ?
C78 C77 N7 124.6(12) . . ?
C78 C77 C82 118.3(12) . . ?
C17 C22 C23 120.9(14) . . ?
C21 C22 C23 117.2(16) . . ?
C21 C22 C17 121.7(15) . . ?
C5 C6 C1 122.4(16) . . ?
C79 C78 C77 123.1(12) . . ?
C19 C18 C17 121(2) . . ?
C36 C35 C34 122(2) . . ?
C18 C17 C22 119.5(17) . . ?
C21 C20 C19 119.1(18) . . ?
C73 C74 C75 117.9(16) . . ?
C22 C21 C20 119.7(18) . . ?
C73 C72 C71 118.8(17) . . ?
C70 C71 C72 119.4(17) . . ?
C103 C104 C105 121.3(17) . . ?
C74 C73 C72 123.1(19) . . ?
C18 C19 C20 119.3(18) . . ?
C38 C37 C36 126(2) . . ?
C104 C105 C106 119.7(19) . . ?
C38 C33 C34 123(2) . . ?
C35 C34 C33 114(2) . . ?
N13 C141 C140 167(5) . . ?

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
Eu2 O1 C11 C12 27.7(12) . . . . ?
Eu2 O1 C11 C10 -153.3(8) . . . . ?
Eu2 O3 C43 C42 -20.9(17) . . . . ?
Eu2 O3 C43 C44 162.5(7) . . . . ?
Eu2 O5 C55 C54 16(2) . . . . ?
Eu2 O5 C55 C183 -165.9(9) . . . . ?
Eu2 O4 C53 C52 163.1(7) . . . . ?
Eu2 O4 C53 C54 -18.9(17) . . . . ?
Eu2 O2 C27 C28 -172.4(7) . . . . ?
Eu2 O2 C27 C26 6.3(18) . . . . ?
Eu2 N2 C12 C13 164.6(8) . . . . ?
Eu2 N2 C12 C11 -16.9(11) . . . . ?
Eu2 N2 C16 C15 -163.1(9) . . . . ?
Eu2 C11 C10 C9 141.3(14) . . . . ?
Eu1 O1 C11 Eu2 -146.4(9) 2_686 . . . ?
Eu1 O1 C11 C12 -118.7(9) 2_686 . . . ?
Eu1 O1 C11 C10 60.3(13) 2_686 . . . ?
Eu1 O3 C43 C42 168.7(9) . . . . ?
Eu1 O3 C43 C44 -8.0(12) . . . . ?
Eu1 O7 C65 C66 -157.3(8) . . . . ?
Eu1 O7 C65 C64 24.1(17) . . . . ?
Eu1 O2 C27 C28 20.5(12) . . . . ?
Eu1 O2 C27 C26 -160.8(9) . . . . ?
Eu1 O6 C63 C62 178.5(8) . . . . ?
Eu1 O6 C63 C64 -4.6(19) . . . . ?
Eu1 N4 C28 C27 -17.3(12) . . . . ?
Eu1 N4 C28 C29 162.0(9) . . . . ?
Eu1 N4 C32 C31 -163.4(10) . . . . ?
Eu1 N6 C44 C43 9.8(13) . . . . ?
Eu1 N6 C44 C45 -169.5(9) . . . . ?
Eu1 N6 C48 C47 168.2(11) . . . . ?
Eu4 O10 C96 C97 -26.7(13) 2_575 . . . ?
Eu4 O10 C96 C95 156.1(10) 2_575 . . . ?
Eu4 O11 C112 C113 -169.7(8) . . . . ?
Eu4 O11 C112 C111 11.9(19) . . . . ?
Eu4 O9 C80 C79 -18(2) . . . . ?
Eu4 O9 C80 C81 163.9(9) . . . . ?
Eu4 O14 C135 C136 -162.1(8) . . . . ?
Eu4 O14 C135 C134 20.4(19) . . . . ?
Eu4 O15 C133 C132 173.8(7) . . . . ?
Eu4 O15 C133 C134 -10.8(17) . . . . ?
Eu4 N10 C97 C98 -165.9(8) 2_575 . . . ?
Eu4 N10 C97 C96 12.8(12) 2_575 . . . ?
Eu4 N10 C101 C100 165.9(10) 2_575 . . . ?
Eu4 C96 C95 C94 -141.2(17) 2_575 . . . ?
Eu3 O10 C96 Eu4 145.8(9) . . . 2_575 ?
Eu3 O10 C96 C97 119.2(9) . . . . ?
Eu3 O10 C96 C95 -58.0(15) . . . . ?
Eu3 O13 C124 C125 -171.2(7) . . . . ?
Eu3 O13 C124 C123 6.7(18) . . . . ?
Eu3 O11 C112 C113 20.0(13) . . . . ?
Eu3 O11 C112 C111 -158.4(10) . . . . ?
Eu3 O12 C122 C123 21(2) . . . . ?
Eu3 O12 C122 C121 -157.8(8) . . . . ?
Eu3 O9 C80 C79 168.1(11) . . . . ?
Eu3 O9 C80 C81 -10.0(17) . . . . ?
Eu3 N12 C113 C114 163.9(9) . . . . ?
Eu3 N12 C113 C112 -16.7(13) . . . . ?
Eu3 N12 C117 C116 -164.2(10) . . . . ?
Eu3 N8 C81 C82 -172.3(10) . . . . ?
Eu3 N8 C81 C80 8.7(15) . . . . ?
Eu3 N8 C85 C84 171.4(10) . . . . ?
O1 C11 C10 C9 -174.1(10) . . . . ?
O3 C43 C42 C41 -176.2(12) . . . . ?
O3 C43 C44 N6 -2.2(15) . . . . ?
O3 C43 C44 C45 177.2(10) . . . . ?
O10 C96 C95 C94 174.1(11) . . . . ?
O5 C55 C54 C53 1(2) . . . . ?
O5 C55 C183 C58 19.0(19) . . . . ?
O5 C55 C183 C56B -84.3(18) . . . . ?
O5 C55 C183 C57 122.9(15) . . . . ?
O5 C55 C183 C56A -140.9(17) . . . . ?
O13 C124 C125 C128 -37.3(14) . . . . ?
O13 C124 C125 C126 -159.0(11) . . . . ?
O13 C124 C125 C127 81.6(14) . . . . ?
O13 C124 C123 C122 -11(2) . . . . ?
O11 C112 C111 C110 179.0(11) . . . . ?
O4 C53 C54 C55 0(2) . . . . ?
O12 C122 C123 C124 -3(2) . . . . ?
O12 C122 C121 C119 -46.8(17) . . . . ?
O12 C122 C121 C118 65.6(16) . . . . ?
O12 C122 C121 C120 -168.3(14) . . . . ?
O7 C65 C66 C67 -59.4(14) . . . . ?
O7 C65 C66 C68 59.2(13) . . . . ?
O7 C65 C66 C69 178.4(12) . . . . ?
O7 C65 C64 C63 -4(2) . . . . ?
O2 C27 C28 N4 -0.8(15) . . . . ?
O2 C27 C28 C29 179.8(10) . . . . ?
O2 C27 C26 C25 177.4(11) . . . . ?
O15 C133 C132 C130 67.4(13) . . . . ?
O15 C133 C132 C131 -50.3(14) . . . . ?
O15 C133 C132 C129 -173.6(11) . . . . ?
O15 C133 C134 C135 -8(2) . . . . ?
O6 C63 C62 C60 70.5(15) . . . . ?
O6 C63 C62 C59 -45.3(15) . . . . ?
O6 C63 C62 C61 -166.3(14) . . . . ?
O6 C63 C64 C65 -6(2) . . . . ?
N10 C97 C98 C93 175.3(11) . . . . ?
N10 C97 C98 C99 -3.2(17) . . . . ?
N10 C97 C96 Eu4 -9.4(9) . . . 2_575 ?
N10 C97 C96 O10 7.7(15) . . . . ?
N10 C97 C96 C95 -174.8(10) . . . . ?
N2 C12 C13 C14 1.3(16) . . . . ?
N2 C12 C13 C8 -178.9(10) . . . . ?
N2 C12 C11 Eu2 12.5(8) . . . . ?
N2 C12 C11 O1 -5.8(15) . . . . ?
N2 C12 C11 C10 175.1(9) . . . . ?
N2 C16 C15 C14 0.8(19) . . . . ?
N12 C113 C114 C109 -176.2(11) . . . . ?
N12 C113 C114 C115 3.6(17) . . . . ?
N12 C113 C112 O11 -0.5(16) . . . . ?
N12 C113 C112 C111 178.0(11) . . . . ?
N4 C28 C29 C24 -176.3(11) . . . . ?
N4 C28 C29 C30 1.5(17) . . . . ?
N4 C32 C31 C30 5(2) . . . . ?
N9 C93 C98 C97 176.0(11) . . . . ?
N9 C93 C98 C99 -5.6(18) . . . . ?
N9 C92 C91 C86 -6(2) . . . . ?
N9 C92 C91 C90 172.2(13) . . . . ?
N6 C44 C45 C40 179.3(12) . . . . ?
N6 C44 C45 C46 -1.0(19) . . . . ?
N8 C81 C82 C83 0(2) . . . . ?
N8 C81 C82 C77 176.9(13) . . . . ?
N8 C81 C80 O9 0(2) . . . . ?
N8 C81 C80 C79 -178.1(13) . . . . ?
C14 C13 C8 N1 0.7(17) . . . . ?
C14 C13 C8 C9 -177.5(11) . . . . ?
N5 C39 C38 C37 -174.5(19) . . . . ?
N5 C39 C38 C33 34(3) . . . . ?
N5 C40 C41 C42 174.0(15) . . . . ?
N5 C40 C45 C46 7(2) . . . . ?
N5 C40 C45 C44 -173.7(13) . . . . ?
N11 C108 C107 C106 1(2) . . . . ?
N11 C108 C107 C102 178.8(13) . . . . ?
C52 C53 C54 C55 177.8(12) . . . . ?
N1 C8 C9 C10 177.7(11) . . . . ?
C43 C42 C41 C40 -2(2) . . . . ?
C43 C44 C45 C40 0.0(18) . . . . ?
C43 C44 C45 C46 179.6(12) . . . . ?
C12 N2 C16 C15 -1.0(16) . . . . ?
C12 C13 C8 N1 -179.1(10) . . . . ?
C12 C13 C8 C9 2.7(17) . . . . ?
C12 C11 C10 C9 5.0(16) . . . . ?
C113 N12 C117 C116 2(2) . . . . ?
C113 C114 C109 N11 -179.7(10) . . . . ?
C113 C114 C109 C110 -4.3(18) . . . . ?
C113 C114 C115 C116 -0.7(19) . . . . ?
C113 C112 C111 C110 0.6(18) . . . . ?
C47 C46 C45 C40 -179.0(15) . . . . ?
C47 C46 C45 C44 1(2) . . . . ?
C4 C5 C6 C1 3(3) . . . . ?
C4 C3 C2 C1 3(3) . . . . ?
C108 N11 C109 C114 -145.0(12) . . . . ?
C108 N11 C109 C110 39.7(18) . . . . ?
C108 C107 C102 C103 179.7(15) . . . . ?
C49 C52 C53 O4 63.8(13) . . . . ?
C49 C52 C53 C54 -114.3(12) . . . . ?
C94 C93 C98 C97 1.7(18) . . . . ?
C94 C93 C98 C99 -179.9(13) . . . . ?
C133 C134 C135 O14 4(2) . . . . ?
C133 C134 C135 C136 -173.4(12) . . . . ?
C39 N5 C40 C41 23(3) . . . . ?
C39 N5 C40 C45 -164.6(16) . . . . ?
C39 C38 C37 C36 -175.1(18) . . . . ?
C39 C38 C33 C34 174(2) . . . . ?
C97 N10 C101 C100 -2.6(19) . . . . ?
C97 C96 C95 C94 -3.2(17) . . . . ?
C13 C14 C15 C16 0.6(19) . . . . ?
C13 C12 C11 Eu2 -169.1(10) . . . . ?
C13 C12 C11 O1 172.7(10) . . . . ?
C13 C12 C11 C10 -6.4(16) . . . . ?
C13 C8 C9 C10 -4.2(18) . . . . ?
C125 C124 C123 C122 167.2(12) . . . . ?
C114 C113 C112 O11 178.9(10) . . . . ?
C114 C113 C112 C111 -2.6(17) . . . . ?
C112 C113 C114 C109 4.4(17) . . . . ?
C112 C113 C114 C115 -175.8(11) . . . . ?
C112 C111 C110 C109 0(2) . . . . ?
C51 C52 C53 O4 -175.2(10) . . . . ?
C51 C52 C53 C54 6.7(16) . . . . ?
C16 N2 C12 C13 0.0(15) . . . . ?
C16 N2 C12 C11 178.5(9) . . . . ?
C111 C110 C109 N11 177.4(12) . . . . ?
C111 C110 C109 C114 2.3(19) . . . . ?
N7 C77 C78 C79 -174.1(16) . . . . ?
C40 N5 C39 C38 179.8(15) . . . . ?
C8 N1 C7 C4 179.5(11) . . . . ?
C8 C9 C10 C11 0.3(18) . . . . ?
C27 C28 C29 C24 3.0(17) . . . . ?
C27 C28 C29 C30 -179.1(10) . . . . ?
C7 N1 C8 C13 149.1(12) . . . . ?
C7 N1 C8 C9 -32.8(18) . . . . ?
C7 C4 C5 C6 175.7(15) . . . . ?
C7 C4 C3 C2 -178.6(15) . . . . ?
C5 C4 C7 N1 8(2) . . . . ?
C5 C4 C3 C2 0(2) . . . . ?
C42 C43 C44 N6 -179.1(11) . . . . ?
C42 C43 C44 C45 0.3(16) . . . . ?
C93 N9 C92 C91 -178.7(12) . . . . ?
C93 C94 C95 C96 1.8(19) . . . . ?
C106 C107 C102 C103 -3(2) . . . . ?
C28 N4 C32 C31 -0.4(18) . . . . ?
C28 C27 C26 C25 -4.0(17) . . . . ?
C28 C29 C30 C31 2.9(19) . . . . ?
C41 C40 C45 C46 179.3(15) . . . . ?
C41 C40 C45 C44 -1(2) . . . . ?
C32 N4 C28 C27 177.9(10) . . . . ?
C32 N4 C28 C29 -2.7(17) . . . . ?
C99 C100 C101 N10 0(2) . . . . ?
C83 C84 C85 N8 0(2) . . . . ?
C83 C82 C77 N7 -6(2) . . . . ?
C83 C82 C77 C78 178.5(15) . . . . ?
C25 C24 C29 C28 -4.2(19) . . . . ?
C25 C24 C29 C30 178.2(12) . . . . ?
C25 C24 N3 C23 25(2) . . . . ?
C81 N8 C85 C84 1.2(19) . . . . ?
C81 C82 C77 N7 177.9(13) . . . . ?
C81 C82 C77 C78 2(2) . . . . ?
C98 C97 C96 Eu4 169.4(10) . . . 2_575 ?
C98 C97 C96 O10 -173.5(10) . . . . ?
C98 C97 C96 C95 4.0(16) . . . . ?
C98 C99 C100 C101 1(2) . . . . ?
C109 N11 C108 C107 -177.4(11) . . . . ?
C109 C114 C115 C116 179.0(13) . . . . ?
C11 C12 C13 C14 -177.2(10) . . . . ?
C11 C12 C13 C8 2.7(16) . . . . ?
C84 C83 C82 C81 0(2) . . . . ?
C84 C83 C82 C77 -176.1(14) . . . . ?
C3 C4 C7 N1 -173.1(14) . . . . ?
C3 C4 C5 C6 -3(2) . . . . ?
C3 C2 C1 C6 -3(3) . . . . ?
C85 N8 C81 C82 -1.0(19) . . . . ?
C85 N8 C81 C80 180.0(12) . . . . ?
C70 C75 C76 N7 170.7(15) . . . . ?
C70 C75 C74 C73 4(3) . . . . ?
C132 C133 C134 C135 166.8(12) . . . . ?
C46 C47 C48 N6 0(2) . . . . ?
C50 C52 C53 O4 -55.3(14) . . . . ?
C50 C52 C53 C54 126.6(13) . . . . ?
C24 C25 C26 C27 3(2) . . . . ?
C24 C29 C30 C31 -179.4(14) . . . . ?
C24 N3 C23 C22 -178.8(12) . . . . ?
C29 C24 N3 C23 -157.4(13) . . . . ?
C29 C30 C31 C32 -6(2) . . . . ?
C15 C14 C13 C12 -1.5(18) . . . . ?
C15 C14 C13 C8 178.6(12) . . . . ?
C26 C27 C28 N4 -179.5(10) . . . . ?
C26 C27 C28 C29 1.1(16) . . . . ?
C26 C25 C24 C29 1(2) . . . . ?
C26 C25 C24 N3 178.8(12) . . . . ?
C96 C97 C98 C93 -3.4(17) . . . . ?
C96 C97 C98 C99 178.1(11) . . . . ?
C100 C99 C98 C97 0.8(19) . . . . ?
C100 C99 C98 C93 -177.6(13) . . . . ?
C54 C55 C183 C58 -162.7(14) . . . . ?
C54 C55 C183 C56B 94.0(18) . . . . ?
C54 C55 C183 C57 -58.8(18) . . . . ?
C54 C55 C183 C56A 37(2) . . . . ?
C95 C94 C93 N9 -174.5(12) . . . . ?
C95 C94 C93 C98 -0.9(19) . . . . ?
C44 N6 C48 C47 0(2) . . . . ?
C44 C43 C42 C41 0.4(18) . . . . ?
C101 N10 C97 C98 4.1(16) . . . . ?
C101 N10 C97 C96 -177.1(10) . . . . ?
C134 C133 C132 C130 -108.2(13) . . . . ?
C134 C133 C132 C131 134.1(12) . . . . ?
C134 C133 C132 C129 10.8(16) . . . . ?
C107 C106 C105 C104 -4(3) . . . . ?
C107 C102 C103 C104 1(3) . . . . ?
C62 C63 C64 C65 171.1(12) . . . . ?
N3 C24 C29 C28 178.0(11) . . . . ?
N3 C24 C29 C30 0.4(19) . . . . ?
N3 C23 C22 C17 -2(2) . . . . ?
N3 C23 C22 C21 -177.7(16) . . . . ?
C48 N6 C44 C43 179.8(11) . . . . ?
C48 N6 C44 C45 0.4(17) . . . . ?
C48 C47 C46 C45 -1(2) . . . . ?
C36 C35 C34 C33 -8(5) . . . . ?
C82 C83 C84 C85 0(2) . . . . ?
C82 C81 C80 O9 -178.9(12) . . . . ?
C82 C81 C80 C79 3(2) . . . . ?
C82 C77 C78 C79 1(3) . . . . ?
C139 C136 C135 O14 34.9(17) . . . . ?
C139 C136 C135 C134 -147.6(14) . . . . ?
C115 C114 C109 N11 0.5(18) . . . . ?
C115 C114 C109 C110 176.0(12) . . . . ?
C115 C116 C117 N12 1(2) . . . . ?
C123 C124 C125 C128 144.8(12) . . . . ?
C123 C124 C125 C126 23.0(16) . . . . ?
C123 C124 C125 C127 -96.4(14) . . . . ?
C123 C122 C121 C119 134.0(13) . . . . ?
C123 C122 C121 C118 -113.5(16) . . . . ?
C123 C122 C121 C120 13(2) . . . . ?
C66 C65 C64 C63 177.3(12) . . . . ?
C92 N9 C93 C94 -40(2) . . . . ?
C92 N9 C93 C98 145.7(14) . . . . ?
C183 C55 C54 C53 -176.7(12) . . . . ?
C75 C70 C71 C72 0(3) . . . . ?
C75 C74 C73 C72 -4(3) . . . . ?
C38 C33 C34 C35 -5(4) . . . . ?
C45 C40 C41 C42 2(2) . . . . ?
C23 C22 C17 C18 179.9(17) . . . . ?
C23 C22 C21 C20 179.0(18) . . . . ?
C121 C122 C123 C124 176.1(12) . . . . ?
C102 C103 C104 C105 -1(3) . . . . ?
C64 C63 C62 C60 -106.6(14) . . . . ?
C64 C63 C62 C59 137.6(13) . . . . ?
C64 C63 C62 C61 17(2) . . . . ?
C64 C65 C66 C67 119.3(13) . . . . ?
C64 C65 C66 C68 -122.1(12) . . . . ?
C64 C65 C66 C69 -2.9(17) . . . . ?
C80 C79 C78 C77 -3(3) . . . . ?
C80 C81 C82 C83 179.2(13) . . . . ?
C80 C81 C82 C77 -4(2) . . . . ?
C2 C1 C6 C5 0(3) . . . . ?
C117 N12 C113 C114 -4.1(17) . . . . ?
C117 N12 C113 C112 175.3(11) . . . . ?
C117 C116 C115 C114 -1(2) . . . . ?
C103 C104 C105 C106 2(3) . . . . ?
C76 N7 C77 C82 145.4(15) . . . . ?
C76 N7 C77 C78 -39(2) . . . . ?
C76 C75 C74 C73 -176.6(16) . . . . ?
C86 C87 C88 C89 0.0 . . . . ?
C87 C86 C91 C92 178.4(12) . . . . ?
C87 C86 C91 C90 0.0 . . . . ?
C87 C88 C89 C90 0.0 . . . . ?
C88 C89 C90 C91 0.0 . . . . ?
C89 C90 C91 C92 -178.4(12) . . . . ?
C89 C90 C91 C86 0.0 . . . . ?
C91 C86 C87 C88 0.0 . . . . ?
C138 C136 C135 O14 -81.7(15) . . . . ?
C138 C136 C135 C134 95.9(16) . . . . ?
C77 N7 C76 C75 177.5(13) . . . . ?
C78 C79 C80 O9 -177.7(14) . . . . ?
C78 C79 C80 C81 0(2) . . . . ?
C35 C36 C37 C38 11(4) . . . . ?
C17 C22 C21 C20 3(3) . . . . ?
C17 C18 C19 C20 1(3) . . . . ?
C74 C75 C76 N7 -9(2) . . . . ?
C21 C22 C17 C18 -5(3) . . . . ?
C21 C20 C19 C18 -2(3) . . . . ?
C71 C70 C75 C76 178.7(16) . . . . ?
C71 C70 C75 C74 -2(3) . . . . ?
C71 C72 C73 C74 3(3) . . . . ?
C73 C72 C71 C70 0(3) . . . . ?
C19 C18 C17 C22 2(3) . . . . ?
C19 C20 C21 C22 0(3) . . . . ?
C137 C136 C135 O14 163.3(15) . . . . ?
C137 C136 C135 C134 -19(2) . . . . ?
C37 C36 C35 C34 7(4) . . . . ?
C37 C38 C33 C34 18(3) . . . . ?
C105 C106 C107 C108 -178.7(15) . . . . ?
C105 C106 C107 C102 4(2) . . . . ?
C33 C38 C37 C36 -22(3) . . . . ?

_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 1861995'
_audit_update_record             
;
2018-08-14 deposited with the CCDC.
2018-10-08 downloaded from the CCDC.
;
_audit_creation_date             2018-08-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C70 H72 Gd2 N6 O8), 2(C2 H3 N)'
_chemical_formula_sum            'C144 H150 Gd4 N14 O16'
_chemical_formula_weight         2961.77
_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                   17.2276(10)
_cell_length_b                   20.3466(11)
_cell_length_c                   23.4504(11)
_cell_angle_alpha                110.362(2)
_cell_angle_beta                 93.259(2)
_cell_angle_gamma                109.829(2)
_cell_volume                     7105.4(7)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9729
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      26.37
_cell_measurement_theta_min      2.35
_shelx_estimated_absorpt_T_max   0.818
_shelx_estimated_absorpt_T_min   0.581
_exptl_absorpt_coefficient_mu    1.907
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.5806
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0714 before and 0.0551 after correction.
The Ratio of minimum to maximum transmission is 0.7789.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             2992
_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  0.0805
_diffrn_reflns_av_unetI/netI     0.0814
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            94556
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.477
_diffrn_reflns_theta_min         2.172
_diffrn_ambient_temperature      150.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_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                18826
_reflns_number_total             29272
_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         3.117
_refine_diff_density_min         -1.247
_refine_diff_density_rms         0.169
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1603
_refine_ls_number_reflns         29272
_refine_ls_number_restraints     129
_refine_ls_R_factor_all          0.1026
_refine_ls_R_factor_gt           0.0536
_refine_ls_restrained_S_all      1.048
_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)+(0.0868P)²+1.2852P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1292
_refine_ls_wR_factor_ref         0.1586
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C70-C67
 1.5 with sigma of 0.02
 C70-C69
 1.5 with sigma of 0.02
 C10-C11
 1.5 with sigma of 0.02
 C70-C68
 1.5 with sigma of 0.02
 H16-O16
 0.82 with sigma of 0.02
 C69-C68 \\sim C68-C67
 with sigma of 0.02
3. Rigid bond restraints
 C69, C70, C68
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C69 \\sim C67 \\sim C68: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C70 \\sim C68 \\sim C69 \\sim C67: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C140) \\sim Ueq, Uanis(C102) \\sim Ueq, Uanis(C101) \\sim Ueq,
Uanis(C120) \\sim Ueq, Uanis(C116) \\sim Ueq, Uanis(C114) \\sim Ueq,
Uanis(C115) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(N14) \\sim Ueq, Uanis(C144) \\sim Ueq, Uanis(C143) \\sim Ueq, Uanis(C28)
\\sim Ueq, Uanis(C29) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C141) \\sim Ueq, Uanis(C142) \\sim Ueq, Uanis(N13) \\sim Ueq: with sigma
of 0.01 and sigma for terminal atoms of 0.02
Uanis(C30) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C31) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C68) = Uanis(C69)
5.a Ternary CH refined with riding coordinates:
 O16(H16)
5.b Aromatic/amide H refined with riding coordinates:
 C104(H104), C135(H135), C94(H94), C3(H3), C83(H83), C41(H41), C44(H44),
 C18(H18), C95(H95), C34(H34), C112(H112), C39(H39), C48(H48), C89(H89),
 C72(H72), C110(H110), C7(H7), C8(H8A), C40(H40), C78(H78), C105(H105),
 C19(H19), C111(H111), C24(H24), C79(H79), C42(H42), C2(H2), C46(H46),
 C124(H124), C77(H77), C26(H26), C47(H47), C88(H88), C82(H82), C118(H118),
 C25(H25), C109(H109), C98(H98), C99(H99), C100(H100), C101(H101), C102(H102),
 C54(H54), C35(H35), C93(H93), C96(H96), C28(H28), C29(H29), C30(H30), C31(H31),
  C32(H32), C9(H9), C23(H23), C86(H86), C65(H65), C80(H80), C73(H73),
 C114(H114), C10(H10), C84(H84), C85(H85), C45(H45), C115(H115), C0AA(H0AA),
 C15(H15), C12(H12), C117(H117), C116(H116), C13(H13), C14(H14)
5.c Fitted hexagon refined as free rotating group:
 C97(C98,C99,C100,C101,C102), C27(C28,C29,C30,C31,C32)
5.d Idealised Me refined as rotating group:
 C127(H12A,H12B,H12C), C131(H13A,H13B,H13C), C58(H58A,H58B,H58C), C50(H50A,
 H50B,H50C), C61(H61A,H61B,H61C), C121(H12D,H12E,H12F), C62(H62A,H62B,H62C),
 C128(H12G,H12H,H12I), C129(H12J,H12K,H12L), C132(H13D,H13E,H13F), C51(H51A,
 H51B,H51C), C60(H60A,H60B,H60C), C139(H13G,H13H,H13I), C49(H49A,H49B,H49C),
 C57(H57A,H57B,H57C), C120(H12M,H12N,H12O), C59(H59A,H59B,H59C), C130(H13J,H13K,
 H13L), C119(H11A,H11B,H11C), C138(H13M,H13N,H13O), C67(H67A,H67B,H67C),
 C140(H14A,H14B,H14C), C69(H69A,H69B,H69C), C68(H68A,H68B,H68C), C143(H14D,H14E,
 H14F), C141(H14G,H14H,H14I)
;
_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 0.12216(2) 0.04758(2) 0.01946(2) 0.02033(8) Uani 1 1 d . . . . .
Gd3 Gd 0.40770(2) 0.40350(2) 0.47090(2) 0.02219(9) Uani 1 1 d . . . . .
Gd2 Gd 0.00852(2) 0.16768(2) 0.07273(2) 0.02269(9) Uani 1 1 d . . . . .
Gd4 Gd 0.62792(2) 0.43393(2) 0.43107(2) 0.02363(9) Uani 1 1 d . . . . .
O11 O 0.6379(3) 0.5011(3) 0.5381(2) 0.0316(11) Uani 1 1 d . . . . .
O1 O 0.0650(3) 0.0933(3) 0.1071(2) 0.0286(11) Uani 1 1 d . . . . .
O2 O 0.1445(3) 0.1795(2) 0.0530(2) 0.0265(11) Uani 1 1 d . . . . .
O8 O 0.0064(3) -0.0605(3) 0.0121(2) 0.0249(11) Uani 1 1 d . . . . .
O9 O 0.6900(3) 0.5681(3) 0.4629(2) 0.0326(12) Uani 1 1 d . . . . .
O3 O 0.1165(3) -0.0613(2) -0.0649(2) 0.0254(10) Uani 1 1 d . . . . .
O6 O 0.1898(3) 0.0091(3) 0.0811(2) 0.0314(11) Uani 1 1 d . . . . .
O14 O 0.3571(3) 0.3485(3) 0.3651(2) 0.0322(12) Uani 1 1 d . . . . .
O13 O 0.6227(3) 0.3216(3) 0.3584(2) 0.0344(12) Uani 1 1 d . . . . .
O7 O 0.2625(3) 0.0891(3) 0.0134(3) 0.0397(13) Uani 1 1 d . . . . .
O12 O 0.6052(3) 0.4409(3) 0.3352(2) 0.0344(12) Uani 1 1 d . . . . .
O15 O 0.3220(3) 0.2796(3) 0.4459(2) 0.0328(12) Uani 1 1 d . . . . .
N9 N 0.4470(4) 0.3675(3) 0.5579(3) 0.0306(14) Uani 1 1 d . . . . .
O5 O 0.0092(3) 0.2161(3) -0.0036(2) 0.0322(11) Uani 1 1 d . . . . .
O4 O -0.0822(3) 0.2302(3) 0.0903(2) 0.0347(12) Uani 1 1 d . . . . .
O16 O 0.5207(3) 0.4789(2) 0.4413(2) 0.0272(11) Uani 1 1 d D . . . .
H16 H 0.502498 0.486626 0.403648 0.033 Uiso 1 1 calc DR . . . .
N5 N 0.1345(4) 0.0675(3) -0.0805(3) 0.0263(13) Uani 1 1 d . . . . .
N3 N 0.1170(4) 0.3049(3) 0.1194(3) 0.0347(15) Uani 1 1 d . . . . .
N1 N 0.0127(4) 0.1934(3) 0.1851(3) 0.0334(14) Uani 1 1 d . . . . .
N10 N 0.5441(5) 0.1890(4) 0.5987(3) 0.0440(17) Uani 1 1 d . . . . .
N12 N 0.7225(4) 0.3824(3) 0.7038(3) 0.0364(15) Uani 1 1 d . . . . .
C127 C 0.6553(6) 0.1915(5) 0.3130(4) 0.047(2) Uani 1 1 d . . . . .
H12A H 0.715228 0.217431 0.314473 0.070 Uiso 1 1 calc GR . . . .
H12B H 0.640539 0.136548 0.296543 0.070 Uiso 1 1 calc GR . . . .
H12C H 0.643545 0.208342 0.354956 0.070 Uiso 1 1 calc GR . . . .
C6 C 0.0199(5) 0.1380(4) 0.2021(3) 0.0346(18) Uani 1 1 d . . . . .
O10 O 0.5109(3) 0.3497(3) 0.4542(2) 0.0294(11) Uani 1 1 d . . . . .
N11 N 0.7109(4) 0.4002(3) 0.5018(3) 0.0341(15) Uani 1 1 d . . . . .
C104 C 0.6399(5) 0.4959(4) 0.6387(3) 0.0328(17) Uani 1 1 d . . . . .
H104 H 0.614803 0.532183 0.652242 0.039 Uiso 1 1 calc R . . . .
C17 C 0.2066(4) 0.2486(4) 0.0651(3) 0.0265(15) Uani 1 1 d . . . . .
N7 N 0.7721(4) 0.4815(3) 0.4038(3) 0.0316(14) Uani 1 1 d . . . . .
C107 C 0.7185(5) 0.3923(4) 0.6032(3) 0.0330(17) Uani 1 1 d . . . . .
C108 C 0.6958(5) 0.4209(4) 0.5612(3) 0.0286(16) Uani 1 1 d . . . . .
C103 C 0.6561(5) 0.4747(4) 0.5795(3) 0.0297(16) Uani 1 1 d . . . . .
N6 N 0.2447(4) -0.0115(4) -0.2668(3) 0.0400(16) Uani 1 1 d . . . . .
C106 C 0.6979(5) 0.4125(4) 0.6628(3) 0.0342(17) Uani 1 1 d . . . . .
C131 C 0.2360(6) 0.3010(5) 0.2512(4) 0.055(2) Uani 1 1 d . . . . .
H13A H 0.184946 0.267392 0.258510 0.083 Uiso 1 1 calc GR . . . .
H13B H 0.225150 0.300472 0.209577 0.083 Uiso 1 1 calc GR . . . .
H13C H 0.252270 0.352795 0.282179 0.083 Uiso 1 1 calc GR . . . .
C5 C 0.0005(5) 0.1315(5) 0.2579(3) 0.0397(19) Uani 1 1 d . . . . .
C135 C 0.3021(5) 0.2165(4) 0.3383(3) 0.0355(18) Uani 1 1 d . . . . .
H135 H 0.288499 0.168907 0.305030 0.043 Uiso 1 1 calc R . . . .
C37 C 0.1902(5) 0.0283(4) -0.1743(3) 0.0300(16) Uani 1 1 d . . . . .
C94 C 0.4320(6) 0.3469(5) 0.6515(4) 0.044(2) Uani 1 1 d . . . . .
H94 H 0.414068 0.359720 0.690031 0.053 Uiso 1 1 calc R . . . .
C92 C 0.4854(5) 0.3167(4) 0.5411(3) 0.0291(16) Uani 1 1 d . . . . .
C3 C 0.0334(5) 0.0194(5) 0.2298(4) 0.047(2) Uani 1 1 d . . . . .
H3 H 0.037497 -0.021333 0.239074 0.056 Uiso 1 1 calc R . . . .
N2 N -0.0184(5) 0.0679(5) 0.3268(3) 0.053(2) Uani 1 1 d . . . . .
N8 N 0.9807(5) 0.6992(4) 0.3828(3) 0.0465(18) Uani 1 1 d . . . . .
C38 C 0.1594(4) 0.0166(4) -0.1222(3) 0.0269(15) Uani 1 1 d . . . . .
C83 C 1.1349(8) 0.8694(6) 0.2931(6) 0.078(3) Uani 1 1 d . . . . .
H83 H 1.134841 0.901944 0.272263 0.093 Uiso 1 1 calc R . . . .
C58 C 0.0039(6) 0.2415(6) -0.1179(4) 0.058(3) Uani 1 1 d . . . . .
H58A H -0.057452 0.222279 -0.130499 0.087 Uiso 1 1 calc GR . . . .
H58B H 0.020561 0.200224 -0.117346 0.087 Uiso 1 1 calc GR . . . .
H58C H 0.030542 0.261451 -0.147463 0.087 Uiso 1 1 calc GR . . . .
C1 C 0.0476(4) 0.0843(4) 0.1597(3) 0.0325(17) Uani 1 1 d . . . . .
C133 C 0.3073(5) 0.2734(4) 0.2566(3) 0.0358(18) Uani 1 1 d . . . . .
C134 C 0.3258(4) 0.2810(4) 0.3245(3) 0.0292(16) Uani 1 1 d . . . . .
C41 C 0.1907(5) 0.0945(4) -0.1825(3) 0.0365(18) Uani 1 1 d . . . . .
H41 H 0.210005 0.104440 -0.216977 0.044 Uiso 1 1 calc R . . . .
C44 C 0.2935(6) 0.0175(6) -0.3738(4) 0.056(2) Uani 1 1 d . . . . .
H44 H 0.298209 0.060923 -0.338651 0.067 Uiso 1 1 calc R . . . .
C50 C -0.2512(7) 0.2388(7) 0.0700(6) 0.080(3) Uani 1 1 d . . . . .
H50A H -0.264782 0.227459 0.025640 0.120 Uiso 1 1 calc GR . . . .
H50B H -0.295097 0.252029 0.090293 0.120 Uiso 1 1 calc GR . . . .
H50C H -0.248025 0.194138 0.075576 0.120 Uiso 1 1 calc GR . . . .
C61 C 0.3457(6) -0.0652(5) 0.1208(4) 0.054(2) Uani 1 1 d . . . . .
H61A H 0.347310 -0.092433 0.077524 0.081 Uiso 1 1 calc GR . . . .
H61B H 0.344719 -0.096949 0.144210 0.081 Uiso 1 1 calc GR . . . .
H61C H 0.395779 -0.017913 0.139086 0.081 Uiso 1 1 calc GR . . . .
C63 C 0.2672(5) -0.0468(4) 0.1233(4) 0.0378(18) Uani 1 1 d . . . . .
C18 C 0.2797(5) 0.2562(4) 0.0449(4) 0.0382(18) Uani 1 1 d . . . . .
H18 H 0.289576 0.212018 0.022250 0.046 Uiso 1 1 calc R . . . .
C95 C 0.4676(6) 0.2948(5) 0.6350(3) 0.043(2) Uani 1 1 d . . . . .
H95 H 0.473238 0.269890 0.661631 0.052 Uiso 1 1 calc R . . . .
C34 C 0.1866(5) -0.0976(4) -0.1491(3) 0.0327(17) Uani 1 1 d . . . . .
H34 H 0.188207 -0.139559 -0.140682 0.039 Uiso 1 1 calc R . . . .
C136 C 0.2971(5) 0.2169(5) 0.3967(4) 0.0365(18) Uani 1 1 d . . . . .
C113 C 0.6979(6) 0.3370(5) 0.7855(4) 0.045(2) Uani 1 1 d . . . . .
C126 C 0.6036(5) 0.2104(4) 0.2715(4) 0.0377(18) Uani 1 1 d . . . . .
C91 C 0.4966(5) 0.2772(4) 0.5782(3) 0.0346(17) Uani 1 1 d . . . . .
C90 C 0.5322(5) 0.2219(4) 0.5563(3) 0.0357(18) Uani 1 1 d . . . . .
C22 C 0.1916(5) 0.3145(4) 0.0998(3) 0.0313(16) Uani 1 1 d . . . . .
C121 C 0.5527(7) 0.4736(5) 0.2333(4) 0.056(3) Uani 1 1 d . . . . .
H12D H 0.501676 0.430496 0.207182 0.084 Uiso 1 1 calc GR . . . .
H12E H 0.567716 0.512139 0.215399 0.084 Uiso 1 1 calc GR . . . .
H12F H 0.542543 0.495626 0.275135 0.084 Uiso 1 1 calc GR . . . .
C21 C 0.2546(5) 0.3873(4) 0.1115(4) 0.0374(18) Uani 1 1 d . . . . .
C125 C 0.6179(5) 0.2932(4) 0.2997(3) 0.0308(16) Uani 1 1 d . . . . .
C64 C 0.2588(5) -0.0009(4) 0.0843(3) 0.0327(17) Uani 1 1 d . . . . .
C53 C -0.0981(5) 0.2772(4) 0.0713(4) 0.0375(18) Uani 1 1 d . . . . .
C36 C 0.2163(5) -0.0265(4) -0.2154(3) 0.0371(18) Uani 1 1 d . . . . .
C112 C 0.6749(6) 0.3653(4) 0.7398(4) 0.047(2) Uani 1 1 d . . . . .
H112 H 0.622481 0.370941 0.737436 0.056 Uiso 1 1 calc R . . . .
C39 C 0.1365(5) 0.1289(4) -0.0909(3) 0.0327(17) Uani 1 1 d . . . . .
H39 H 0.118443 0.164129 -0.062240 0.039 Uiso 1 1 calc R . . . .
C48 C 0.2608(7) -0.1169(6) -0.4238(4) 0.067(3) Uani 1 1 d . . . . .
H48 H 0.242178 -0.165898 -0.422499 0.080 Uiso 1 1 calc R . . . .
C89 C 0.5540(5) 0.2083(4) 0.4996(4) 0.0371(18) Uani 1 1 d . . . . .
H89 H 0.575375 0.169546 0.483793 0.045 Uiso 1 1 calc R . . . .
C72 C 0.7869(6) 0.6760(5) 0.4517(4) 0.052(2) Uani 1 1 d . . . . .
H72 H 0.757122 0.706197 0.471704 0.062 Uiso 1 1 calc R . . . .
C33 C 0.1540(4) -0.0481(4) -0.1101(3) 0.0283(16) Uani 1 1 d . . . . .
C110 C 0.7789(6) 0.3253(5) 0.5246(4) 0.049(2) Uani 1 1 d . . . . .
H110 H 0.810399 0.294452 0.511017 0.058 Uiso 1 1 calc R . . . .
C7 C -0.0103(5) 0.2449(5) 0.2243(4) 0.045(2) Uani 1 1 d . . . . .
H7 H -0.015013 0.284065 0.212889 0.054 Uiso 1 1 calc R . . . .
C8 C -0.0283(6) 0.2443(5) 0.2819(4) 0.052(2) Uani 1 1 d . . . . .
H8A H -0.043079 0.283036 0.309259 0.062 Uiso 1 1 calc R . . . .
C40 C 0.1635(5) 0.1435(4) -0.1410(3) 0.0390(19) Uani 1 1 d . . . . .
H40 H 0.163050 0.187439 -0.146618 0.047 Uiso 1 1 calc R . . . .
C78 C 0.8866(5) 0.4672(5) 0.3541(4) 0.044(2) Uani 1 1 d . . . . .
H78 H 0.913457 0.434413 0.333612 0.053 Uiso 1 1 calc R . . . .
C105 C 0.6602(5) 0.4643(4) 0.6795(3) 0.0356(18) Uani 1 1 d . . . . .
H105 H 0.647467 0.479258 0.719775 0.043 Uiso 1 1 calc R . . . .
C19 C 0.3416(5) 0.3281(4) 0.0566(4) 0.048(2) Uani 1 1 d . . . . .
H19 H 0.392522 0.331497 0.041911 0.058 Uiso 1 1 calc R . . . .
C62 C 0.1901(6) -0.1207(5) 0.0977(5) 0.057(3) Uani 1 1 d . . . . .
H62A H 0.190093 -0.149454 0.054354 0.086 Uiso 1 1 calc GR . . . .
H62B H 0.139096 -0.109559 0.099959 0.086 Uiso 1 1 calc GR . . . .
H62C H 0.191594 -0.150803 0.122229 0.086 Uiso 1 1 calc GR . . . .
C87 C 0.5142(5) 0.3052(4) 0.4843(3) 0.0285(16) Uani 1 1 d . . . . .
C4 C 0.0045(5) 0.0707(5) 0.2706(4) 0.045(2) Uani 1 1 d . . . . .
C128 C 0.6250(7) 0.1852(5) 0.2061(4) 0.061(3) Uani 1 1 d . . . . .
H12G H 0.684384 0.214323 0.208481 0.092 Uiso 1 1 calc GR . . . .
H12H H 0.589591 0.194458 0.177934 0.092 Uiso 1 1 calc GR . . . .
H12I H 0.614481 0.130999 0.190417 0.092 Uiso 1 1 calc GR . . . .
C66 C 0.3247(5) 0.0720(5) 0.0243(4) 0.0386(19) Uani 1 1 d . . . . .
C111 C 0.7619(6) 0.3426(5) 0.5825(4) 0.045(2) Uani 1 1 d . . . . .
H111 H 0.778728 0.321665 0.609099 0.054 Uiso 1 1 calc R . . . .
C24 C 0.1614(6) 0.4414(5) 0.1637(5) 0.060(3) Uani 1 1 d . . . . .
H24 H 0.148805 0.484175 0.186068 0.072 Uiso 1 1 calc R . . . .
C79 C 0.9200(5) 0.5429(5) 0.3635(4) 0.044(2) Uani 1 1 d . . . . .
H79 H 0.970395 0.563118 0.349989 0.052 Uiso 1 1 calc R . . . .
C129 C 0.5086(6) 0.1656(5) 0.2654(5) 0.066(3) Uani 1 1 d . . . . .
H12J H 0.496450 0.111008 0.247536 0.098 Uiso 1 1 calc GR . . . .
H12K H 0.475455 0.177963 0.238405 0.098 Uiso 1 1 calc GR . . . .
H12L H 0.493940 0.179383 0.306568 0.098 Uiso 1 1 calc GR . . . .
C42 C 0.2352(5) -0.0671(5) -0.3176(4) 0.042(2) Uani 1 1 d . . . . .
H42 H 0.208560 -0.117576 -0.320251 0.051 Uiso 1 1 calc R . . . .
C2 C 0.0566(5) 0.0275(4) 0.1752(3) 0.0356(18) Uani 1 1 d . . . . .
H2 H 0.078561 -0.006338 0.149008 0.043 Uiso 1 1 calc R . . . .
C46 C 0.3102(7) -0.0367(7) -0.4790(5) 0.068(3) Uani 1 1 d . . . . .
H46 H 0.324816 -0.030257 -0.515702 0.082 Uiso 1 1 calc R . . . .
C124 C 0.6199(5) 0.3346(4) 0.2629(3) 0.0396(19) Uani 1 1 d . . . . .
H124 H 0.625340 0.312092 0.221156 0.047 Uiso 1 1 calc R . . . .
C132 C 0.2785(6) 0.1912(5) 0.2082(3) 0.048(2) Uani 1 1 d . . . . .
H13D H 0.225786 0.159518 0.215205 0.072 Uiso 1 1 calc GR . . . .
H13E H 0.321900 0.171105 0.212303 0.072 Uiso 1 1 calc GR . . . .
H13F H 0.269618 0.190711 0.166406 0.072 Uiso 1 1 calc GR . . . .
C75 C 0.8777(5) 0.5902(5) 0.3938(4) 0.042(2) Uani 1 1 d . . . . .
C77 C 0.8135(5) 0.4394(4) 0.3750(3) 0.0364(18) Uani 1 1 d . . . . .
H77 H 0.791657 0.387131 0.368215 0.044 Uiso 1 1 calc R . . . .
C43 C 0.2648(6) -0.0543(5) -0.3722(4) 0.043(2) Uani 1 1 d . . . . .
C26 C 0.4600(5) 0.4814(4) 0.0929(3) 0.042(2) Uani 1 1 d . . . . .
H26 H 0.479982 0.442071 0.088252 0.050 Uiso 1 1 calc R . . . .
C47 C 0.2842(7) -0.1076(7) -0.4770(5) 0.070(3) Uani 1 1 d . . . . .
H47 H 0.282121 -0.150014 -0.511965 0.084 Uiso 1 1 calc R . . . .
C20 C 0.3298(5) 0.3926(4) 0.0884(4) 0.045(2) Uani 1 1 d . . . . .
C88 C 0.5462(5) 0.2487(4) 0.4637(3) 0.0351(18) Uani 1 1 d . . . . .
H88 H 0.562994 0.237497 0.424629 0.042 Uiso 1 1 calc R . . . .
C82 C 1.0610(7) 0.8304(6) 0.3076(5) 0.068(3) Uani 1 1 d . . . . .
H82 H 1.009607 0.833427 0.294524 0.081 Uiso 1 1 calc R . . . .
C118 C 0.7716(8) 0.3251(5) 0.7898(4) 0.063(3) Uani 1 1 d . . . . .
H118 H 0.809574 0.336513 0.763592 0.075 Uiso 1 1 calc R . . . .
C51 C -0.1670(9) 0.3744(7) 0.0865(6) 0.093(5) Uani 1 1 d . . . . .
H51A H -0.182304 0.359952 0.041710 0.140 Uiso 1 1 calc GR . . . .
H51B H -0.110916 0.415184 0.102617 0.140 Uiso 1 1 calc GR . . . .
H51C H -0.208175 0.392234 0.107167 0.140 Uiso 1 1 calc GR . . . .
C52 C -0.1663(6) 0.3056(5) 0.0991(4) 0.049(2) Uani 1 1 d . . . . .
C60 C 0.2671(6) -0.0019(5) 0.1915(4) 0.052(2) Uani 1 1 d . . . . .
H60A H 0.269358 -0.031769 0.216054 0.078 Uiso 1 1 calc GR . . . .
H60B H 0.215599 0.008579 0.193855 0.078 Uiso 1 1 calc GR . . . .
H60C H 0.316270 0.046159 0.207951 0.078 Uiso 1 1 calc GR . . . .
C81 C 1.0630(6) 0.7868(4) 0.3414(4) 0.044(2) Uani 1 1 d . . . . .
C25 C 0.2359(6) 0.4507(5) 0.1448(4) 0.055(3) Uani 1 1 d . . . . .
H25 H 0.275937 0.500433 0.154097 0.066 Uiso 1 1 calc R . . . .
C109 C 0.7499(5) 0.3531(4) 0.4853(4) 0.0405(19) Uani 1 1 d . . . . .
H109 H 0.758651 0.337134 0.443910 0.049 Uiso 1 1 calc R . . . .
C97 C 0.5467(5) 0.0871(3) 0.6251(2) 0.048(2) Uani 1 1 d . . . . .
C98 C 0.5733(5) 0.1315(3) 0.6882(3) 0.061(3) Uani 1 1 d G . . . .
H98 H 0.586160 0.184535 0.702962 0.073 Uiso 1 1 calc R . . . .
C99 C 0.5812(5) 0.0984(3) 0.7299(2) 0.086(4) Uani 1 1 d G . . . .
H99 H 0.599404 0.128727 0.773059 0.104 Uiso 1 1 calc R . . . .
C100 C 0.5624(5) 0.0208(4) 0.7083(3) 0.075(3) Uani 1 1 d G . . . .
H100 H 0.567783 -0.001893 0.736801 0.090 Uiso 1 1 calc R . . . .
C101 C 0.5358(5) -0.0237(3) 0.6452(3) 0.085(4) Uani 1 1 d G U . . .
H101 H 0.522917 -0.076706 0.630446 0.102 Uiso 1 1 calc R . . . .
C102 C 0.5279(5) 0.0095(3) 0.6035(2) 0.083(4) Uani 1 1 d G U . . .
H102 H 0.509672 -0.020900 0.560348 0.100 Uiso 1 1 calc R . . . .
C54 C -0.0614(5) 0.3007(4) 0.0273(4) 0.0402(19) Uani 1 1 d . . . . .
H54 H -0.073436 0.339453 0.019508 0.048 Uiso 1 1 calc R . . . .
C139 C 0.1684(7) 0.1319(8) 0.4105(7) 0.115(6) Uani 1 1 d . . . . .
H13G H 0.165656 0.175977 0.443735 0.173 Uiso 1 1 calc GR . . . .
H13H H 0.141495 0.086263 0.418744 0.173 Uiso 1 1 calc GR . . . .
H13I H 0.139100 0.125737 0.370729 0.173 Uiso 1 1 calc GR . . . .
C123 C 0.6147(5) 0.4054(4) 0.2811(3) 0.0356(18) Uani 1 1 d . . . . .
C35 C 0.2170(5) -0.0857(4) -0.2007(4) 0.0403(19) Uani 1 1 d . . . . .
H35 H 0.238731 -0.120148 -0.226290 0.048 Uiso 1 1 calc R . . . .
C49 C -0.1492(7) 0.3265(6) 0.1694(5) 0.065(3) Uani 1 1 d . . . . .
H49A H -0.198718 0.331761 0.185944 0.098 Uiso 1 1 calc GR . . . .
H49B H -0.100571 0.374642 0.189402 0.098 Uiso 1 1 calc GR . . . .
H49C H -0.137422 0.286468 0.177660 0.098 Uiso 1 1 calc GR . . . .
C76 C 0.8039(5) 0.5570(4) 0.4134(3) 0.0355(18) Uani 1 1 d . . . . .
C71 C 0.7605(5) 0.6023(4) 0.4437(4) 0.0400(19) Uani 1 1 d . . . . .
C137 C 0.2611(6) 0.1443(4) 0.4076(4) 0.051(2) Uani 1 1 d . . . . .
C122 C 0.6232(6) 0.4473(5) 0.2367(4) 0.044(2) Uani 1 1 d . . . . .
C57 C 0.0107(7) 0.3723(6) -0.0537(5) 0.064(3) Uani 1 1 d . . . . .
H57A H 0.037093 0.389968 -0.084433 0.096 Uiso 1 1 calc GR . . . .
H57B H 0.031884 0.413730 -0.012574 0.096 Uiso 1 1 calc GR . . . .
H57C H -0.050490 0.356047 -0.064732 0.096 Uiso 1 1 calc GR . . . .
C93 C 0.4219(5) 0.3813(4) 0.6113(3) 0.0388(19) Uani 1 1 d . . . . .
H93 H 0.395378 0.416660 0.623027 0.047 Uiso 1 1 calc R . . . .
C74 C 0.9039(5) 0.6675(4) 0.4015(4) 0.047(2) Uani 1 1 d . . . . .
C96 C 0.5354(6) 0.1216(5) 0.5809(4) 0.052(2) Uani 1 1 d . . . . .
H96 H 0.521170 0.091278 0.537675 0.063 Uiso 1 1 calc R . . . .
C56 C 0.0321(6) 0.3051(5) -0.0529(4) 0.043(2) Uani 1 1 d . . . . .
C27 C 0.5223(4) 0.5525(3) 0.0952(4) 0.064(3) Uani 1 1 d . . . . .
C28 C 0.6084(4) 0.5697(4) 0.1059(4) 0.096(4) Uani 1 1 d G U . . .
H28 H 0.629328 0.536015 0.114790 0.115 Uiso 1 1 calc R . . . .
C29 C 0.6640(3) 0.6363(5) 0.1036(4) 0.083(4) Uani 1 1 d G U . . .
H29 H 0.722901 0.648148 0.110970 0.099 Uiso 1 1 calc R . . . .
C30 C 0.6334(5) 0.6857(4) 0.0906(4) 0.092(4) Uani 1 1 d G U . . .
H30 H 0.671434 0.731215 0.089065 0.110 Uiso 1 1 calc R . . . .
C31 C 0.5473(6) 0.6684(4) 0.0799(4) 0.109(5) Uani 1 1 d G U . . .
H31 H 0.526393 0.702149 0.070980 0.131 Uiso 1 1 calc R . . . .
C32 C 0.4917(4) 0.6018(5) 0.0821(4) 0.110(5) Uani 1 1 d G . . . .
H32 H 0.432819 0.590015 0.074800 0.133 Uiso 1 1 calc R . . . .
C9 C -0.0240(6) 0.1883(6) 0.2973(4) 0.057(3) Uani 1 1 d . . . . .
H9 H -0.037781 0.186532 0.335560 0.068 Uiso 1 1 calc R . . . .
N4 N 0.3857(5) 0.4655(4) 0.0963(5) 0.088(4) Uani 1 1 d . . . . .
C23 C 0.1036(6) 0.3678(5) 0.1496(4) 0.049(2) Uani 1 1 d . . . . .
H23 H 0.051202 0.362121 0.162375 0.059 Uiso 1 1 calc R . . . .
C120 C 0.6266(10) 0.3998(7) 0.1708(4) 0.094(4) Uani 1 1 d . U . . .
H12M H 0.574598 0.354194 0.152934 0.141 Uiso 1 1 calc GR . . . .
H12N H 0.674909 0.384881 0.171846 0.141 Uiso 1 1 calc GR . . . .
H12O H 0.632298 0.429760 0.145242 0.141 Uiso 1 1 calc GR . . . .
C55 C -0.0072(5) 0.2716(4) -0.0072(3) 0.0347(17) Uani 1 1 d . . . . .
C86 C 1.1360(6) 0.7792(5) 0.3565(4) 0.053(2) Uani 1 1 d . . . . .
H86 H 1.136694 0.747525 0.378087 0.064 Uiso 1 1 calc R . . . .
C59 C 0.1277(6) 0.3327(5) -0.0341(4) 0.050(2) Uani 1 1 d . . . . .
H59A H 0.142750 0.289969 -0.035317 0.075 Uiso 1 1 calc GR . . . .
H59B H 0.146702 0.372025 0.008112 0.075 Uiso 1 1 calc GR . . . .
H59C H 0.154756 0.353722 -0.062904 0.075 Uiso 1 1 calc GR . . . .
C65 C 0.3239(5) 0.0271(5) 0.0575(4) 0.044(2) Uani 1 1 d . . . . .
H65 H 0.371945 0.014997 0.061974 0.053 Uiso 1 1 calc R . . . .
C130 C 0.3849(5) 0.3225(4) 0.2423(4) 0.044(2) Uani 1 1 d . . . . .
H13J H 0.371278 0.322300 0.201091 0.066 Uiso 1 1 calc GR . . . .
H13K H 0.429186 0.302612 0.243117 0.066 Uiso 1 1 calc GR . . . .
H13L H 0.404583 0.374587 0.273479 0.066 Uiso 1 1 calc GR . . . .
C80 C 0.9866(6) 0.7492(5) 0.3590(4) 0.055(2) Uani 1 1 d . . . . .
H80 H 0.939028 0.761330 0.352870 0.065 Uiso 1 1 calc R . . . .
C70 C 0.4037(7) 0.1051(8) 0.0005(6) 0.100(4) Uani 1 1 d D U . . .
C73 C 0.8592(6) 0.7075(5) 0.4299(5) 0.059(3) Uani 1 1 d . . . . .
H73 H 0.877200 0.759332 0.435520 0.070 Uiso 1 1 calc R . . . .
C119 C 0.7064(7) 0.5177(7) 0.2646(6) 0.093(4) Uani 1 1 d . . . . .
H11A H 0.714483 0.546606 0.238089 0.140 Uiso 1 1 calc GR . . . .
H11B H 0.753434 0.501450 0.267155 0.140 Uiso 1 1 calc GR . . . .
H11C H 0.703973 0.549725 0.306240 0.140 Uiso 1 1 calc GR . . . .
C114 C 0.6450(7) 0.3198(6) 0.8239(5) 0.066(3) Uani 1 1 d . U . . .
H114 H 0.593708 0.327524 0.821092 0.079 Uiso 1 1 calc R . . . .
C10 C -0.0422(6) 0.0084(6) 0.3352(5) 0.063(3) Uani 1 1 d D . . . .
H10 H -0.046057 -0.037857 0.303751 0.075 Uiso 1 1 calc R . . . .
C138 C 0.3028(7) 0.1515(5) 0.4693(4) 0.066(3) Uani 1 1 d . . . . .
H13M H 0.362141 0.159325 0.469027 0.099 Uiso 1 1 calc GR . . . .
H13N H 0.274272 0.105047 0.476120 0.099 Uiso 1 1 calc GR . . . .
H13O H 0.299132 0.194925 0.502761 0.099 Uiso 1 1 calc GR . . . .
C84 C 1.2087(7) 0.8614(5) 0.3087(5) 0.065(3) Uani 1 1 d . . . . .
H84 H 1.258887 0.886461 0.297251 0.078 Uiso 1 1 calc R . . . .
C85 C 1.2081(7) 0.8165(6) 0.3411(5) 0.071(3) Uani 1 1 d . . . . .
H85 H 1.258799 0.811427 0.352845 0.085 Uiso 1 1 calc R . . . .
C45 C 0.3150(7) 0.0238(7) -0.4283(5) 0.069(3) Uani 1 1 d . . . . .
H45 H 0.333871 0.072512 -0.430202 0.083 Uiso 1 1 calc R . . . .
C11 C -0.0653(7) 0.0108(6) 0.3974(4) 0.066(3) Uani 1 1 d D . . . .
C115 C 0.6628(8) 0.2917(6) 0.8668(5) 0.075(3) Uani 1 1 d . U . . .
H115 H 0.624954 0.280736 0.893236 0.090 Uiso 1 1 calc R . . . .
C0AA C -0.0642(7) 0.0764(7) 0.4420(5) 0.074(3) Uani 1 1 d . . . . .
H0AA H -0.050017 0.121528 0.434304 0.088 Uiso 1 1 calc R . . . .
C15 C -0.0845(8) 0.0760(7) 0.4993(5) 0.081(4) Uani 1 1 d . . . . .
H15 H -0.081258 0.121714 0.531192 0.098 Uiso 1 1 calc R . . . .
C67 C 0.3890(7) 0.1289(7) -0.0494(5) 0.074(3) Uani 1 1 d D U . . .
H67A H 0.354082 0.084360 -0.086402 0.111 Uiso 1 1 calc GR . . . .
H67B H 0.443073 0.154330 -0.058891 0.111 Uiso 1 1 calc GR . . . .
H67C H 0.360124 0.164099 -0.036564 0.111 Uiso 1 1 calc GR . . . .
C12 C -0.0920(8) -0.0548(6) 0.4068(6) 0.082(4) Uani 1 1 d . . . . .
H12 H -0.095684 -0.100484 0.374655 0.098 Uiso 1 1 calc R . . . .
C117 C 0.7911(9) 0.2969(7) 0.8317(5) 0.084(4) Uani 1 1 d . . . . .
H117 H 0.842281 0.289059 0.834164 0.100 Uiso 1 1 calc R . . . .
C116 C 0.7366(9) 0.2799(6) 0.8701(5) 0.076(3) Uani 1 1 d . U . . .
H116 H 0.750127 0.260176 0.898828 0.091 Uiso 1 1 calc R . . . .
C13 C -0.1139(10) -0.0567(8) 0.4621(7) 0.107(5) Uani 1 1 d . . . . .
H13 H -0.132250 -0.103124 0.467948 0.128 Uiso 1 1 calc R . . . .
C14 C -0.1087(9) 0.0102(8) 0.5093(6) 0.092(4) Uani 1 1 d . . . . .
H14 H -0.121881 0.010050 0.548033 0.111 Uiso 1 1 calc R . . . .
C140 C 0.2631(11) 0.0773(6) 0.3555(6) 0.118(5) Uani 1 1 d . U . . .
H14A H 0.228287 0.069291 0.317289 0.178 Uiso 1 1 calc GR . . . .
H14B H 0.241087 0.032159 0.365259 0.178 Uiso 1 1 calc GR . . . .
H14C H 0.321211 0.086610 0.349853 0.178 Uiso 1 1 calc GR . . . .
C69 C 0.4581(10) 0.1832(9) 0.0569(8) 0.155(4) Uani 1 1 d D U . A 1
H69A H 0.420429 0.204446 0.079492 0.233 Uiso 1 1 calc GR . . A 1
H69B H 0.493607 0.218991 0.040857 0.233 Uiso 1 1 calc GR . . A 1
H69C H 0.493777 0.174071 0.084910 0.233 Uiso 1 1 calc GR . . A 1
C68 C 0.4593(9) 0.0650(10) -0.0079(8) 0.155(4) Uani 1 1 d D U . B 1
H68A H 0.470149 0.055453 0.029310 0.233 Uiso 1 1 calc GR . . B 1
H68B H 0.512546 0.095709 -0.015068 0.233 Uiso 1 1 calc GR . . B 1
H68C H 0.433188 0.016612 -0.043801 0.233 Uiso 1 1 calc GR . . B 1
N14 N 0.3891(15) 0.6461(11) -0.0151(9) 0.224(10) Uani 1 1 d . U . . .
C144 C 0.3375(14) 0.5939(13) -0.0119(9) 0.152(7) Uani 1 1 d . U . . .
C143 C 0.2723(13) 0.5301(10) -0.0036(9) 0.169(8) Uani 1 1 d . U . . .
H14D H 0.295676 0.520044 0.030134 0.254 Uiso 1 1 calc GR . . . .
H14E H 0.254291 0.484633 -0.042091 0.254 Uiso 1 1 calc GR . . . .
H14F H 0.223848 0.543443 0.006807 0.254 Uiso 1 1 calc GR . . . .
N13 N 0.1727(13) 0.4193(11) -0.1573(9) 0.170(7) Uani 1 1 d . U . . .
C142 C 0.1082(16) 0.4086(12) -0.1889(10) 0.140(7) Uani 1 1 d . U . . .
C141 C 0.0372(14) 0.4105(11) -0.2132(8) 0.170(8) Uani 1 1 d . U . . .
H14G H 0.015034 0.370763 -0.255161 0.255 Uiso 1 1 calc GR . . . .
H14H H 0.049045 0.460211 -0.215195 0.255 Uiso 1 1 calc GR . . . .
H14I H -0.004601 0.401896 -0.187180 0.255 Uiso 1 1 calc GR . . . .
H8 H -0.002(5) -0.075(4) 0.037(3) 0.02(2) Uiso 1 1 d . . . . .


_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 Gd1 3.8861(7) 2 ?
Gd1 Gd2 3.8849(5) 2 ?
Gd1 Gd2 3.5728(5) . ?
Gd1 O1 2.362(4) . ?
Gd1 O2 2.401(4) . ?
Gd1 O8 2.358(5) . ?
Gd1 O8 2.422(5) 2 ?
Gd1 O3 2.369(4) . ?
Gd1 O6 2.297(5) . ?
Gd1 O7 2.306(5) . ?
Gd1 N5 2.523(6) . ?
Gd3 Gd3 3.8344(7) 2_666 ?
Gd3 Gd4 3.5845(5) 2_666 ?
Gd3 Gd4 3.8549(5) . ?
Gd3 O11 2.393(5) 2_666 ?
Gd3 O9 2.430(5) 2_666 ?
Gd3 O14 2.307(5) . ?
Gd3 O15 2.286(5) . ?
Gd3 N9 2.524(6) . ?
Gd3 O16 2.344(5) . ?
Gd3 O16 2.401(4) 2_666 ?
Gd3 O10 2.369(5) . ?
Gd2 O1 2.376(5) . ?
Gd2 O2 2.362(5) . ?
Gd2 O8 2.306(4) 2 ?
Gd2 O3 2.423(4) 2 ?
Gd2 O5 2.323(5) . ?
Gd2 O4 2.300(5) . ?
Gd2 N3 2.567(6) . ?
Gd2 N1 2.494(6) . ?
Gd4 O11 2.367(5) . ?
Gd4 O9 2.380(5) . ?
Gd4 O13 2.295(5) . ?
Gd4 O12 2.320(5) . ?
Gd4 O16 2.314(5) . ?
Gd4 O10 2.392(5) . ?
Gd4 N11 2.541(6) . ?
Gd4 N7 2.550(6) . ?
O11 C103 1.332(8) . ?
O1 C1 1.344(8) . ?
O2 C17 1.367(7) . ?
O9 C71 1.367(9) . ?
O3 C33 1.331(8) . ?
O6 C64 1.274(9) . ?
O14 C134 1.271(8) . ?
O13 C125 1.279(8) . ?
O7 C66 1.272(9) . ?
O12 C123 1.274(8) . ?
O15 C136 1.300(9) . ?
N9 C92 1.367(9) . ?
N9 C93 1.317(9) . ?
O5 C55 1.281(9) . ?
O4 C53 1.285(9) . ?
N5 C38 1.363(8) . ?
N5 C39 1.344(9) . ?
N3 C22 1.364(9) . ?
N3 C23 1.334(10) . ?
N1 C6 1.360(10) . ?
N1 C7 1.323(10) . ?
N10 C90 1.418(9) . ?
N10 C96 1.239(10) . ?
N12 C106 1.420(9) . ?
N12 C112 1.264(10) . ?
C127 C126 1.510(11) . ?
C6 C5 1.410(10) . ?
C6 C1 1.435(11) . ?
O10 C87 1.339(8) . ?
N11 C108 1.375(9) . ?
N11 C109 1.313(9) . ?
C104 C103 1.378(10) . ?
C104 C105 1.412(10) . ?
C17 C18 1.349(10) . ?
C17 C22 1.425(10) . ?
N7 C77 1.328(9) . ?
N7 C76 1.373(9) . ?
C107 C108 1.404(10) . ?
C107 C106 1.416(10) . ?
C107 C111 1.426(11) . ?
C108 C103 1.438(10) . ?
N6 C36 1.418(9) . ?
N6 C42 1.281(10) . ?
C106 C105 1.373(10) . ?
C131 C133 1.530(12) . ?
C5 C4 1.391(12) . ?
C5 C9 1.415(12) . ?
C135 C134 1.393(10) . ?
C135 C136 1.374(10) . ?
C37 C38 1.421(9) . ?
C37 C41 1.424(10) . ?
C37 C36 1.418(10) . ?
C94 C95 1.353(11) . ?
C94 C93 1.389(10) . ?
C92 C91 1.420(10) . ?
C92 C87 1.420(10) . ?
C3 C4 1.402(12) . ?
C3 C2 1.409(10) . ?
N2 C4 1.411(10) . ?
N2 C10 1.230(11) . ?
N8 C74 1.429(10) . ?
N8 C80 1.298(11) . ?
C38 C33 1.415(9) . ?
C83 C82 1.385(14) . ?
C83 C84 1.379(15) . ?
C58 C56 1.533(12) . ?
C1 C2 1.379(10) . ?
C133 C134 1.547(10) . ?
C133 C132 1.544(10) . ?
C133 C130 1.509(10) . ?
C41 C40 1.363(10) . ?
C44 C43 1.389(12) . ?
C44 C45 1.387(12) . ?
C50 C52 1.530(14) . ?
C61 C63 1.520(11) . ?
C63 C64 1.549(10) . ?
C63 C62 1.519(11) . ?
C63 C60 1.542(11) . ?
C18 C19 1.408(10) . ?
C95 C91 1.421(10) . ?
C34 C33 1.401(10) . ?
C34 C35 1.410(10) . ?
C136 C137 1.513(10) . ?
C113 C112 1.473(11) . ?
C113 C118 1.377(14) . ?
C113 C114 1.363(13) . ?
C126 C125 1.504(10) . ?
C126 C128 1.549(11) . ?
C126 C129 1.548(12) . ?
C91 C90 1.417(10) . ?
C90 C89 1.364(11) . ?
C22 C21 1.428(10) . ?
C121 C122 1.493(12) . ?
C21 C20 1.419(11) . ?
C21 C25 1.409(11) . ?
C125 C124 1.395(10) . ?
C64 C65 1.370(11) . ?
C53 C52 1.557(11) . ?
C53 C54 1.381(11) . ?
C36 C35 1.366(11) . ?
C39 C40 1.376(10) . ?
C48 C43 1.398(12) . ?
C48 C47 1.386(13) . ?
C89 C88 1.397(10) . ?
C72 C71 1.351(11) . ?
C72 C73 1.408(12) . ?
C110 C111 1.356(11) . ?
C110 C109 1.385(11) . ?
C7 C8 1.406(12) . ?
C8 C9 1.331(13) . ?
C78 C79 1.378(11) . ?
C78 C77 1.388(11) . ?
C19 C20 1.354(11) . ?
C87 C88 1.390(10) . ?
C66 C65 1.390(11) . ?
C66 C70 1.531(13) . ?
C24 C25 1.355(12) . ?
C24 C23 1.397(12) . ?
C79 C75 1.422(11) . ?
C42 C43 1.477(10) . ?
C46 C47 1.376(14) . ?
C46 C45 1.356(14) . ?
C124 C123 1.390(11) . ?
C75 C76 1.407(11) . ?
C75 C74 1.422(11) . ?
C26 C27 1.460(9) . ?
C26 N4 1.223(11) . ?
C20 N4 1.409(11) . ?
C82 C81 1.385(13) . ?
C118 C117 1.374(13) . ?
C51 C52 1.532(12) . ?
C52 C49 1.535(13) . ?
C81 C86 1.362(13) . ?
C81 C80 1.444(11) . ?
C97 C98 1.3900 . ?
C97 C102 1.3900 . ?
C97 C96 1.476(9) . ?
C98 C99 1.3900 . ?
C99 C100 1.3900 . ?
C100 C101 1.3900 . ?
C101 C102 1.3900 . ?
C54 C55 1.416(10) . ?
C139 C137 1.539(16) . ?
C123 C122 1.544(10) . ?
C76 C71 1.410(11) . ?
C137 C138 1.516(12) . ?
C137 C140 1.492(14) . ?
C122 C120 1.528(12) . ?
C122 C119 1.543(14) . ?
C57 C56 1.537(12) . ?
C74 C73 1.344(12) . ?
C56 C55 1.532(11) . ?
C56 C59 1.530(12) . ?
C27 C28 1.3900 . ?
C27 C32 1.3900 . ?
C28 C29 1.3900 . ?
C29 C30 1.3900 . ?
C30 C31 1.3900 . ?
C31 C32 1.3900 . ?
C86 C85 1.361(13) . ?
C70 C67 1.453(12) . ?
C70 C69 1.592(15) . ?
C70 C68 1.436(14) . ?
C114 C115 1.387(14) . ?
C10 C11 1.523(11) . ?
C84 C85 1.375(14) . ?
C11 C0AA 1.374(14) . ?
C11 C12 1.357(14) . ?
C115 C116 1.374(16) . ?
C0AA C15 1.409(14) . ?
C15 C14 1.369(15) . ?
C12 C13 1.380(15) . ?
C117 C116 1.381(16) . ?
C13 C14 1.394(17) . ?
N14 C144 1.16(2) . ?
C144 C143 1.48(2) . ?
N13 C142 1.21(2) . ?
C142 C141 1.34(3) . ?

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
Gd2 Gd1 Gd1 54.744(9) 2 2 ?
Gd2 Gd1 Gd1 62.611(11) . 2 ?
Gd2 Gd1 Gd2 117.354(11) . 2 ?
O1 Gd1 Gd1 69.13(12) . 2 ?
O1 Gd1 Gd2 109.60(11) . 2 ?
O1 Gd1 Gd2 41.20(11) . . ?
O1 Gd1 O2 65.70(16) . . ?
O1 Gd1 O8 69.93(16) . 2 ?
O1 Gd1 O3 145.55(16) . . ?
O1 Gd1 N5 135.74(17) . . ?
O2 Gd1 Gd1 101.48(11) . 2 ?
O2 Gd1 Gd2 40.98(11) . . ?
O2 Gd1 Gd2 153.31(11) . 2 ?
O2 Gd1 O8 70.00(15) . 2 ?
O2 Gd1 N5 78.56(16) . . ?
O8 Gd1 Gd1 36.18(12) . 2 ?
O8 Gd1 Gd1 35.07(11) 2 2 ?
O8 Gd1 Gd2 91.84(12) . . ?
O8 Gd1 Gd2 83.61(11) 2 2 ?
O8 Gd1 Gd2 33.18(11) . 2 ?
O8 Gd1 Gd2 39.71(11) 2 . ?
O8 Gd1 O1 76.43(16) . . ?
O8 Gd1 O2 132.79(16) . . ?
O8 Gd1 O8 71.25(19) . 2 ?
O8 Gd1 O3 69.39(16) . . ?
O8 Gd1 N5 73.98(18) 2 . ?
O8 Gd1 N5 114.95(17) . . ?
O3 Gd1 Gd1 85.23(11) . 2 ?
O3 Gd1 Gd2 36.31(11) . 2 ?
O3 Gd1 Gd2 141.80(11) . . ?
O3 Gd1 O2 144.98(15) . . ?
O3 Gd1 O8 102.09(16) . 2 ?
O3 Gd1 N5 66.59(16) . . ?
O6 Gd1 Gd1 116.12(12) . 2 ?
O6 Gd1 Gd2 85.15(12) . 2 ?
O6 Gd1 Gd2 124.80(12) . . ?
O6 Gd1 O1 84.68(17) . . ?
O6 Gd1 O2 119.23(16) . . ?
O6 Gd1 O8 146.70(17) . 2 ?
O6 Gd1 O8 82.35(17) . . ?
O6 Gd1 O3 86.61(16) . . ?
O6 Gd1 O7 72.37(18) . . ?
O6 Gd1 N5 137.44(18) . . ?
O7 Gd1 Gd1 164.24(14) . 2 ?
O7 Gd1 Gd2 115.81(14) . 2 ?
O7 Gd1 Gd2 124.99(14) . . ?
O7 Gd1 O1 126.22(18) . . ?
O7 Gd1 O2 84.08(17) . . ?
O7 Gd1 O8 142.75(18) . . ?
O7 Gd1 O8 140.27(18) . 2 ?
O7 Gd1 O3 81.98(18) . . ?
O7 Gd1 N5 71.65(19) . . ?
N5 Gd1 Gd1 94.82(13) . 2 ?
N5 Gd1 Gd2 90.61(12) . 2 ?
N5 Gd1 Gd2 94.57(13) . . ?
Gd3 Gd3 Gd4 55.570(10) 2_666 . ?
Gd4 Gd3 Gd3 62.506(11) 2_666 2_666 ?
Gd4 Gd3 Gd4 118.076(10) 2_666 . ?
O11 Gd3 Gd3 69.23(12) 2_666 2_666 ?
O11 Gd3 Gd4 110.51(12) 2_666 . ?
O11 Gd3 Gd4 40.87(11) 2_666 2_666 ?
O11 Gd3 O9 65.42(16) 2_666 2_666 ?
O11 Gd3 N9 136.12(17) 2_666 . ?
O11 Gd3 O16 70.09(16) 2_666 2_666 ?
O9 Gd3 Gd3 101.71(11) 2_666 2_666 ?
O9 Gd3 Gd4 41.30(11) 2_666 2_666 ?
O9 Gd3 Gd4 154.22(12) 2_666 . ?
O9 Gd3 N9 78.95(18) 2_666 . ?
O14 Gd3 Gd3 115.05(12) . 2_666 ?
O14 Gd3 Gd4 121.68(12) . 2_666 ?
O14 Gd3 Gd4 86.14(13) . . ?
O14 Gd3 O11 81.83(16) . 2_666 ?
O14 Gd3 O9 117.10(18) . 2_666 ?
O14 Gd3 N9 139.54(17) . . ?
O14 Gd3 O16 145.04(16) . 2_666 ?
O14 Gd3 O16 81.55(17) . . ?
O14 Gd3 O10 88.65(17) . . ?
O15 Gd3 Gd3 165.57(14) . 2_666 ?
O15 Gd3 Gd4 125.76(13) . 2_666 ?
O15 Gd3 Gd4 114.82(13) . . ?
O15 Gd3 O11 125.08(18) . 2_666 ?
O15 Gd3 O9 84.64(17) . 2_666 ?
O15 Gd3 O14 72.17(17) . . ?
O15 Gd3 N9 72.92(18) . . ?
O15 Gd3 O16 141.43(16) . . ?
O15 Gd3 O16 141.56(16) . 2_666 ?
O15 Gd3 O10 81.53(18) . . ?
N9 Gd3 Gd3 95.39(13) . 2_666 ?
N9 Gd3 Gd4 95.31(13) . 2_666 ?
N9 Gd3 Gd4 90.42(14) . . ?
O16 Gd3 Gd3 36.60(10) . 2_666 ?
O16 Gd3 Gd3 35.60(11) 2_666 2_666 ?
O16 Gd3 Gd4 39.61(12) 2_666 2_666 ?
O16 Gd3 Gd4 84.69(11) 2_666 . ?
O16 Gd3 Gd4 33.89(11) . . ?
O16 Gd3 Gd4 91.95(11) . 2_666 ?
O16 Gd3 O11 76.62(17) . 2_666 ?
O16 Gd3 O9 69.87(16) 2_666 2_666 ?
O16 Gd3 O9 133.20(15) . 2_666 ?
O16 Gd3 N9 74.24(17) 2_666 . ?
O16 Gd3 N9 115.59(18) . . ?
O16 Gd3 O16 72.20(17) . 2_666 ?
O16 Gd3 O10 69.90(16) . . ?
O10 Gd3 Gd3 86.06(11) . 2_666 ?
O10 Gd3 Gd4 36.14(11) . . ?
O10 Gd3 Gd4 142.66(12) . 2_666 ?
O10 Gd3 O11 146.20(16) . 2_666 ?
O10 Gd3 O9 145.20(16) . 2_666 ?
O10 Gd3 N9 66.49(17) . . ?
O10 Gd3 O16 103.05(16) . 2_666 ?
Gd1 Gd2 Gd1 62.646(11) . 2 ?
O1 Gd2 Gd1 40.90(10) . . ?
O1 Gd2 Gd1 69.06(11) . 2 ?
O1 Gd2 O3 77.34(16) . 2 ?
O1 Gd2 N3 107.60(19) . . ?
O1 Gd2 N1 66.57(18) . . ?
O2 Gd2 Gd1 41.82(10) . . ?
O2 Gd2 Gd1 102.32(10) . 2 ?
O2 Gd2 O1 66.10(16) . . ?
O2 Gd2 O3 133.64(15) . 2 ?
O2 Gd2 N3 66.35(18) . . ?
O2 Gd2 N1 108.13(18) . . ?
O8 Gd2 Gd1 34.03(12) 2 2 ?
O8 Gd2 Gd1 42.16(13) 2 . ?
O8 Gd2 O1 71.68(17) 2 . ?
O8 Gd2 O2 72.70(16) 2 . ?
O8 Gd2 O3 69.32(16) 2 2 ?
O8 Gd2 O5 81.42(17) 2 . ?
O8 Gd2 N3 134.25(18) 2 . ?
O8 Gd2 N1 132.61(19) 2 . ?
O3 Gd2 Gd1 91.82(10) 2 . ?
O3 Gd2 Gd1 35.38(10) 2 2 ?
O3 Gd2 N3 156.43(17) 2 . ?
O3 Gd2 N1 80.41(17) 2 . ?
O5 Gd2 Gd1 102.26(12) . 2 ?
O5 Gd2 Gd1 101.74(12) . . ?
O5 Gd2 O1 142.21(16) . . ?
O5 Gd2 O2 81.04(17) . . ?
O5 Gd2 O3 117.58(16) . 2 ?
O5 Gd2 N3 73.09(18) . . ?
O5 Gd2 N1 145.92(19) . . ?
O4 Gd2 Gd1 169.44(13) . . ?
O4 Gd2 Gd1 108.58(12) . 2 ?
O4 Gd2 O1 144.14(17) . . ?
O4 Gd2 O2 143.32(16) . . ?
O4 Gd2 O8 127.28(18) . 2 ?
O4 Gd2 O3 82.31(16) . 2 ?
O4 Gd2 O5 73.60(18) . . ?
O4 Gd2 N3 80.99(19) . . ?
O4 Gd2 N1 81.2(2) . . ?
N3 Gd2 Gd1 107.02(15) . . ?
N3 Gd2 Gd1 168.07(14) . 2 ?
N1 Gd2 Gd1 106.56(15) . . ?
N1 Gd2 Gd1 107.36(14) . 2 ?
N1 Gd2 N3 80.70(19) . . ?
Gd3 Gd4 Gd3 61.924(11) 2_666 . ?
O11 Gd4 Gd3 68.99(12) . . ?
O11 Gd4 Gd3 41.42(11) . 2_666 ?
O11 Gd4 O9 66.62(16) . . ?
O11 Gd4 O10 77.45(16) . . ?
O11 Gd4 N11 66.09(18) . . ?
O11 Gd4 N7 108.90(18) . . ?
O9 Gd4 Gd3 102.16(12) . . ?
O9 Gd4 Gd3 42.36(11) . 2_666 ?
O9 Gd4 O10 134.02(16) . . ?
O9 Gd4 N11 106.73(19) . . ?
O9 Gd4 N7 66.10(18) . . ?
O13 Gd4 Gd3 108.33(13) . . ?
O13 Gd4 Gd3 168.25(13) . 2_666 ?
O13 Gd4 O11 144.22(17) . . ?
O13 Gd4 O9 143.22(17) . . ?
O13 Gd4 O12 73.73(17) . . ?
O13 Gd4 O16 126.82(17) . . ?
O13 Gd4 O10 81.85(17) . . ?
O13 Gd4 N11 82.53(18) . . ?
O13 Gd4 N7 81.02(19) . . ?
O12 Gd4 Gd3 100.30(13) . . ?
O12 Gd4 Gd3 100.70(12) . 2_666 ?
O12 Gd4 O11 141.85(16) . . ?
O12 Gd4 O9 81.11(17) . . ?
O12 Gd4 O10 115.84(17) . . ?
O12 Gd4 N11 146.96(19) . . ?
O12 Gd4 N7 73.24(18) . . ?
O16 Gd4 Gd3 34.40(11) . . ?
O16 Gd4 Gd3 41.44(11) . 2_666 ?
O16 Gd4 O11 72.06(16) . . ?
O16 Gd4 O9 72.22(16) . . ?
O16 Gd4 O12 79.31(17) . . ?
O16 Gd4 O10 70.01(16) . . ?
O16 Gd4 N11 133.73(18) . . ?
O16 Gd4 N7 132.69(17) . . ?
O10 Gd4 Gd3 35.73(11) . . ?
O10 Gd4 Gd3 91.66(11) . 2_666 ?
O10 Gd4 N11 82.26(19) . . ?
O10 Gd4 N7 157.22(18) . . ?
N11 Gd4 Gd3 108.90(15) . . ?
N11 Gd4 Gd3 106.39(13) . 2_666 ?
N11 Gd4 N7 80.7(2) . . ?
N7 Gd4 Gd3 107.61(14) . 2_666 ?
N7 Gd4 Gd3 167.04(14) . . ?
Gd4 O11 Gd3 97.71(17) . 2_666 ?
C103 O11 Gd3 141.4(4) . 2_666 ?
C103 O11 Gd4 120.4(4) . . ?
Gd1 O1 Gd2 97.90(16) . . ?
C1 O1 Gd1 142.8(5) . . ?
C1 O1 Gd2 118.7(4) . . ?
Gd2 O2 Gd1 97.19(15) . . ?
C17 O2 Gd1 140.9(4) . . ?
C17 O2 Gd2 121.8(4) . . ?
Gd1 O8 Gd1 108.75(19) . 2 ?
Gd2 O8 Gd1 112.8(2) 2 . ?
Gd2 O8 Gd1 98.12(18) 2 2 ?
Gd4 O9 Gd3 96.34(16) . 2_666 ?
C71 O9 Gd3 142.0(5) . 2_666 ?
C71 O9 Gd4 121.6(4) . . ?
Gd1 O3 Gd2 108.30(17) . 2 ?
C33 O3 Gd1 115.7(4) . . ?
C33 O3 Gd2 128.6(4) . 2 ?
C64 O6 Gd1 135.0(5) . . ?
C134 O14 Gd3 135.2(4) . . ?
C125 O13 Gd4 136.8(5) . . ?
C66 O7 Gd1 136.2(5) . . ?
C123 O12 Gd4 134.5(5) . . ?
C136 O15 Gd3 136.0(4) . . ?
C92 N9 Gd3 113.4(4) . . ?
C93 N9 Gd3 127.2(5) . . ?
C93 N9 C92 118.2(6) . . ?
C55 O5 Gd2 133.7(4) . . ?
C53 O4 Gd2 135.7(5) . . ?
Gd3 O16 Gd3 107.80(17) . 2_666 ?
Gd4 O16 Gd3 111.71(18) . . ?
Gd4 O16 Gd3 98.95(18) . 2_666 ?
C38 N5 Gd1 112.9(4) . . ?
C39 N5 Gd1 127.3(4) . . ?
C39 N5 C38 118.2(6) . . ?
C22 N3 Gd2 114.4(4) . . ?
C23 N3 Gd2 127.6(6) . . ?
C23 N3 C22 116.7(7) . . ?
C6 N1 Gd2 114.6(4) . . ?
C7 N1 Gd2 125.4(6) . . ?
C7 N1 C6 118.0(7) . . ?
C96 N10 C90 121.8(7) . . ?
C112 N12 C106 119.3(7) . . ?
N1 C6 C5 122.7(7) . . ?
N1 C6 C1 116.9(6) . . ?
C5 C6 C1 120.4(8) . . ?
Gd3 O10 Gd4 108.13(17) . . ?
C87 O10 Gd3 117.4(4) . . ?
C87 O10 Gd4 126.4(4) . . ?
C108 N11 Gd4 113.3(5) . . ?
C109 N11 Gd4 127.4(5) . . ?
C109 N11 C108 117.5(6) . . ?
C103 C104 C105 120.8(7) . . ?
O2 C17 C22 117.6(6) . . ?
C18 C17 O2 122.8(6) . . ?
C18 C17 C22 119.6(6) . . ?
C77 N7 Gd4 126.6(5) . . ?
C77 N7 C76 117.8(6) . . ?
C76 N7 Gd4 115.1(5) . . ?
C108 C107 C106 120.5(7) . . ?
C108 C107 C111 116.7(7) . . ?
C106 C107 C111 122.8(7) . . ?
N11 C108 C107 122.6(6) . . ?
N11 C108 C103 117.1(6) . . ?
C107 C108 C103 120.3(6) . . ?
O11 C103 C104 124.4(7) . . ?
O11 C103 C108 117.5(6) . . ?
C104 C103 C108 118.1(6) . . ?
C42 N6 C36 119.4(7) . . ?
C107 C106 N12 118.3(7) . . ?
C105 C106 N12 123.4(7) . . ?
C105 C106 C107 118.1(7) . . ?
C6 C5 C9 116.0(8) . . ?
C4 C5 C6 119.7(8) . . ?
C4 C5 C9 124.3(8) . . ?
C136 C135 C134 124.7(7) . . ?
C38 C37 C41 116.8(6) . . ?
C36 C37 C38 119.2(6) . . ?
C36 C37 C41 124.0(6) . . ?
C95 C94 C93 119.2(7) . . ?
N9 C92 C91 122.4(6) . . ?
N9 C92 C87 116.7(6) . . ?
C91 C92 C87 120.9(7) . . ?
C4 C3 C2 120.9(8) . . ?
C10 N2 C4 121.8(9) . . ?
C80 N8 C74 118.5(8) . . ?
N5 C38 C37 122.0(6) . . ?
N5 C38 C33 116.1(6) . . ?
C33 C38 C37 121.8(6) . . ?
C84 C83 C82 120.5(11) . . ?
O1 C1 C6 117.7(7) . . ?
O1 C1 C2 123.4(7) . . ?
C2 C1 C6 118.9(7) . . ?
C131 C133 C134 107.0(7) . . ?
C131 C133 C132 107.9(7) . . ?
C132 C133 C134 113.8(6) . . ?
C130 C133 C131 109.7(7) . . ?
C130 C133 C134 109.6(6) . . ?
C130 C133 C132 108.8(7) . . ?
O14 C134 C135 124.0(6) . . ?
O14 C134 C133 115.5(6) . . ?
C135 C134 C133 120.3(6) . . ?
C40 C41 C37 119.9(7) . . ?
C45 C44 C43 117.9(9) . . ?
C61 C63 C64 114.3(7) . . ?
C61 C63 C60 108.7(7) . . ?
C62 C63 C61 108.8(7) . . ?
C62 C63 C64 106.7(6) . . ?
C62 C63 C60 109.3(7) . . ?
C60 C63 C64 109.0(6) . . ?
C17 C18 C19 121.6(7) . . ?
C94 C95 C91 120.4(7) . . ?
C33 C34 C35 120.7(7) . . ?
O15 C136 C135 122.1(7) . . ?
O15 C136 C137 115.9(6) . . ?
C135 C136 C137 122.1(7) . . ?
C118 C113 C112 121.6(9) . . ?
C114 C113 C112 120.5(9) . . ?
C114 C113 C118 117.9(9) . . ?
C127 C126 C128 108.4(7) . . ?
C127 C126 C129 109.9(7) . . ?
C125 C126 C127 110.3(6) . . ?
C125 C126 C128 113.5(7) . . ?
C125 C126 C129 106.6(7) . . ?
C129 C126 C128 108.0(8) . . ?
C92 C91 C95 116.1(7) . . ?
C90 C91 C92 119.5(7) . . ?
C90 C91 C95 124.3(7) . . ?
C91 C90 N10 114.3(7) . . ?
C89 C90 N10 127.4(7) . . ?
C89 C90 C91 118.2(7) . . ?
N3 C22 C17 118.2(6) . . ?
N3 C22 C21 123.2(7) . . ?
C17 C22 C21 118.6(7) . . ?
C20 C21 C22 119.8(7) . . ?
C25 C21 C22 116.4(8) . . ?
C25 C21 C20 123.8(7) . . ?
O13 C125 C126 116.1(7) . . ?
O13 C125 C124 122.5(7) . . ?
C124 C125 C126 121.2(6) . . ?
O6 C64 C63 115.4(7) . . ?
O6 C64 C65 124.8(7) . . ?
C65 C64 C63 119.8(7) . . ?
O4 C53 C52 115.8(7) . . ?
O4 C53 C54 124.4(7) . . ?
C54 C53 C52 119.8(7) . . ?
N6 C36 C37 115.8(7) . . ?
C35 C36 N6 125.6(7) . . ?
C35 C36 C37 118.5(7) . . ?
N12 C112 C113 122.5(9) . . ?
N5 C39 C40 123.4(7) . . ?
C47 C48 C43 120.0(10) . . ?
C90 C89 C88 122.8(7) . . ?
C71 C72 C73 119.1(8) . . ?
O3 C33 C38 120.0(6) . . ?
O3 C33 C34 122.9(6) . . ?
C34 C33 C38 117.0(6) . . ?
C111 C110 C109 119.4(8) . . ?
N1 C7 C8 123.1(9) . . ?
C9 C8 C7 118.7(9) . . ?
C41 C40 C39 119.6(7) . . ?
C79 C78 C77 119.4(8) . . ?
C106 C105 C104 122.2(7) . . ?
C20 C19 C18 121.1(8) . . ?
O10 C87 C92 118.9(6) . . ?
O10 C87 C88 123.7(7) . . ?
C88 C87 C92 117.4(6) . . ?
C5 C4 C3 119.6(7) . . ?
C5 C4 N2 115.5(8) . . ?
C3 C4 N2 124.8(8) . . ?
O7 C66 C65 123.0(7) . . ?
O7 C66 C70 116.9(7) . . ?
C65 C66 C70 120.0(8) . . ?
C110 C111 C107 119.5(7) . . ?
C25 C24 C23 118.7(8) . . ?
C78 C79 C75 118.7(8) . . ?
N6 C42 C43 121.3(7) . . ?
C1 C2 C3 120.2(8) . . ?
C45 C46 C47 119.7(9) . . ?
C123 C124 C125 126.4(7) . . ?
C76 C75 C79 117.8(7) . . ?
C76 C75 C74 119.3(7) . . ?
C74 C75 C79 122.7(8) . . ?
N7 C77 C78 123.9(7) . . ?
C44 C43 C48 120.0(8) . . ?
C44 C43 C42 121.6(7) . . ?
C48 C43 C42 118.4(8) . . ?
N4 C26 C27 129.1(9) . . ?
C46 C47 C48 119.8(10) . . ?
C19 C20 C21 119.3(7) . . ?
C19 C20 N4 123.5(8) . . ?
N4 C20 C21 117.0(8) . . ?
C87 C88 C89 120.8(7) . . ?
C83 C82 C81 119.3(11) . . ?
C117 C118 C113 120.8(11) . . ?
C50 C52 C53 106.8(7) . . ?
C50 C52 C51 110.7(10) . . ?
C50 C52 C49 108.8(8) . . ?
C51 C52 C53 112.5(7) . . ?
C51 C52 C49 109.5(8) . . ?
C49 C52 C53 108.5(7) . . ?
C82 C81 C80 119.1(9) . . ?
C86 C81 C82 119.7(8) . . ?
C86 C81 C80 121.2(8) . . ?
C24 C25 C21 120.7(8) . . ?
N11 C109 C110 124.1(8) . . ?
C98 C97 C102 120.0 . . ?
C98 C97 C96 120.2(5) . . ?
C102 C97 C96 119.8(5) . . ?
C99 C98 C97 120.0 . . ?
C98 C99 C100 120.0 . . ?
C101 C100 C99 120.0 . . ?
C100 C101 C102 120.0 . . ?
C101 C102 C97 120.0 . . ?
C53 C54 C55 125.1(8) . . ?
O12 C123 C124 123.1(7) . . ?
O12 C123 C122 115.8(7) . . ?
C124 C123 C122 121.1(7) . . ?
C36 C35 C34 122.4(7) . . ?
N7 C76 C75 122.3(7) . . ?
N7 C76 C71 118.3(7) . . ?
C75 C76 C71 119.3(7) . . ?
O9 C71 C76 117.5(6) . . ?
C72 C71 O9 121.9(8) . . ?
C72 C71 C76 120.6(7) . . ?
C136 C137 C139 105.2(8) . . ?
C136 C137 C138 112.3(7) . . ?
C138 C137 C139 107.3(9) . . ?
C140 C137 C136 112.4(8) . . ?
C140 C137 C139 108.2(10) . . ?
C140 C137 C138 111.2(9) . . ?
C121 C122 C123 111.1(7) . . ?
C121 C122 C120 108.4(8) . . ?
C121 C122 C119 108.3(8) . . ?
C120 C122 C123 113.8(7) . . ?
C120 C122 C119 108.8(9) . . ?
C119 C122 C123 106.3(7) . . ?
N9 C93 C94 123.7(7) . . ?
C75 C74 N8 117.2(8) . . ?
C73 C74 N8 124.0(7) . . ?
C73 C74 C75 118.6(7) . . ?
N10 C96 C97 121.8(8) . . ?
C58 C56 C57 110.2(7) . . ?
C55 C56 C58 108.4(7) . . ?
C55 C56 C57 114.3(7) . . ?
C59 C56 C58 108.2(7) . . ?
C59 C56 C57 108.3(8) . . ?
C59 C56 C55 107.4(6) . . ?
C28 C27 C26 123.0(6) . . ?
C28 C27 C32 120.0 . . ?
C32 C27 C26 116.9(6) . . ?
C29 C28 C27 120.0 . . ?
C28 C29 C30 120.0 . . ?
C31 C30 C29 120.0 . . ?
C32 C31 C30 120.0 . . ?
C31 C32 C27 120.0 . . ?
C8 C9 C5 121.3(8) . . ?
C26 N4 C20 123.8(9) . . ?
N3 C23 C24 124.4(9) . . ?
O5 C55 C54 122.9(7) . . ?
O5 C55 C56 117.4(7) . . ?
C54 C55 C56 119.6(7) . . ?
C85 C86 C81 120.7(9) . . ?
C64 C65 C66 124.5(8) . . ?
N8 C80 C81 122.3(9) . . ?
C66 C70 C69 103.9(11) . . ?
C67 C70 C66 114.5(9) . . ?
C67 C70 C69 103.2(11) . . ?
C68 C70 C66 115.8(10) . . ?
C68 C70 C67 114.6(11) . . ?
C68 C70 C69 102.4(10) . . ?
C74 C73 C72 122.9(8) . . ?
C113 C114 C115 122.7(11) . . ?
N2 C10 C11 118.2(10) . . ?
C85 C84 C83 118.8(10) . . ?
C86 C85 C84 121.0(11) . . ?
C46 C45 C44 122.6(10) . . ?
C0AA C11 C10 121.4(10) . . ?
C12 C11 C10 118.4(10) . . ?
C12 C11 C0AA 120.1(10) . . ?
C116 C115 C114 118.3(11) . . ?
C11 C0AA C15 119.2(11) . . ?
C14 C15 C0AA 120.3(11) . . ?
C11 C12 C13 121.4(11) . . ?
C118 C117 C116 120.3(12) . . ?
C115 C116 C117 119.9(10) . . ?
C12 C13 C14 119.3(11) . . ?
C15 C14 C13 119.5(11) . . ?
N14 C144 C143 176(2) . . ?
N13 C142 C141 167(3) . . ?

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
Gd1 O1 C1 C6 172.2(5) . . . . ?
Gd1 O1 C1 C2 -6.5(12) . . . . ?
Gd1 O2 C17 C18 16.9(11) . . . . ?
Gd1 O2 C17 C22 -164.2(5) . . . . ?
Gd1 O3 C33 C38 -29.1(8) . . . . ?
Gd1 O3 C33 C34 153.6(6) . . . . ?
Gd1 O6 C64 C63 -165.2(4) . . . . ?
Gd1 O6 C64 C65 16.4(11) . . . . ?
Gd1 O7 C66 C65 -13.8(13) . . . . ?
Gd1 O7 C66 C70 167.7(7) . . . . ?
Gd1 N5 C38 C37 -164.1(5) . . . . ?
Gd1 N5 C38 C33 14.9(8) . . . . ?
Gd1 N5 C39 C40 163.7(6) . . . . ?
Gd3 O11 C103 C104 9.9(12) 2_666 . . . ?
Gd3 O11 C103 C108 -169.5(5) 2_666 . . . ?
Gd3 O9 C71 C72 -15.8(13) 2_666 . . . ?
Gd3 O9 C71 C76 166.1(6) 2_666 . . . ?
Gd3 O14 C134 C135 10.0(12) . . . . ?
Gd3 O14 C134 C133 -175.2(5) . . . . ?
Gd3 O15 C136 C135 -18.8(12) . . . . ?
Gd3 O15 C136 C137 162.0(6) . . . . ?
Gd3 N9 C92 C91 -166.6(6) . . . . ?
Gd3 N9 C92 C87 13.7(8) . . . . ?
Gd3 N9 C93 C94 166.4(6) . . . . ?
Gd3 O10 C87 C92 -26.4(8) . . . . ?
Gd3 O10 C87 C88 155.0(6) . . . . ?
Gd2 O1 C1 C6 -19.6(8) . . . . ?
Gd2 O1 C1 C2 161.7(6) . . . . ?
Gd2 O2 C17 C18 -168.6(6) . . . . ?
Gd2 O2 C17 C22 10.4(8) . . . . ?
Gd2 O3 C33 C38 117.2(6) 2 . . . ?
Gd2 O3 C33 C34 -60.2(9) 2 . . . ?
Gd2 O5 C55 C54 -25.6(11) . . . . ?
Gd2 O5 C55 C56 156.6(5) . . . . ?
Gd2 O4 C53 C52 -178.5(5) . . . . ?
Gd2 O4 C53 C54 4.0(12) . . . . ?
Gd2 N3 C22 C17 -9.9(8) . . . . ?
Gd2 N3 C22 C21 169.0(6) . . . . ?
Gd2 N3 C23 C24 -167.6(7) . . . . ?
Gd2 N1 C6 C5 -162.1(6) . . . . ?
Gd2 N1 C6 C1 17.0(8) . . . . ?
Gd2 N1 C7 C8 162.5(6) . . . . ?
Gd4 O11 C103 C104 -160.4(6) . . . . ?
Gd4 O11 C103 C108 20.1(9) . . . . ?
Gd4 O9 C71 C72 167.3(7) . . . . ?
Gd4 O9 C71 C76 -10.8(10) . . . . ?
Gd4 O13 C125 C126 -171.4(5) . . . . ?
Gd4 O13 C125 C124 4.3(12) . . . . ?
Gd4 O12 C123 C124 19.9(12) . . . . ?
Gd4 O12 C123 C122 -158.0(5) . . . . ?
Gd4 O10 C87 C92 118.5(6) . . . . ?
Gd4 O10 C87 C88 -60.1(9) . . . . ?
Gd4 N11 C108 C107 164.4(6) . . . . ?
Gd4 N11 C108 C103 -16.4(8) . . . . ?
Gd4 N11 C109 C110 -166.0(7) . . . . ?
Gd4 N7 C77 C78 171.2(6) . . . . ?
Gd4 N7 C76 C75 -172.1(6) . . . . ?
Gd4 N7 C76 C71 7.6(9) . . . . ?
O1 C1 C2 C3 -177.0(7) . . . . ?
O2 C17 C18 C19 178.2(7) . . . . ?
O2 C17 C22 N3 0.7(10) . . . . ?
O2 C17 C22 C21 -178.2(6) . . . . ?
O6 C64 C65 C66 1.7(13) . . . . ?
O13 C125 C124 C123 -10.1(13) . . . . ?
O7 C66 C65 C64 -3.0(14) . . . . ?
O7 C66 C70 C67 -20.8(15) . . . . ?
O7 C66 C70 C69 90.9(11) . . . . ?
O7 C66 C70 C68 -157.6(10) . . . . ?
O12 C123 C122 C121 -52.2(10) . . . . ?
O12 C123 C122 C120 -174.9(9) . . . . ?
O12 C123 C122 C119 65.5(10) . . . . ?
O15 C136 C137 C139 83.3(10) . . . . ?
O15 C136 C137 C138 -33.1(12) . . . . ?
O15 C136 C137 C140 -159.2(10) . . . . ?
N9 C92 C91 C95 -1.5(11) . . . . ?
N9 C92 C91 C90 176.1(7) . . . . ?
N9 C92 C87 O10 7.2(10) . . . . ?
N9 C92 C87 C88 -174.1(7) . . . . ?
O4 C53 C52 C50 -71.9(10) . . . . ?
O4 C53 C52 C51 166.5(9) . . . . ?
O4 C53 C52 C49 45.2(10) . . . . ?
O4 C53 C54 C55 6.0(14) . . . . ?
N5 C38 C33 O3 8.3(10) . . . . ?
N5 C38 C33 C34 -174.2(6) . . . . ?
N5 C39 C40 C41 -0.8(13) . . . . ?
N3 C22 C21 C20 -178.6(8) . . . . ?
N3 C22 C21 C25 -0.3(12) . . . . ?
N1 C6 C5 C4 176.1(7) . . . . ?
N1 C6 C5 C9 -2.5(11) . . . . ?
N1 C6 C1 O1 0.7(10) . . . . ?
N1 C6 C1 C2 179.4(7) . . . . ?
N1 C7 C8 C9 -1.8(14) . . . . ?
N10 C90 C89 C88 -174.2(8) . . . . ?
N12 C106 C105 C104 177.1(7) . . . . ?
C127 C126 C125 O13 -40.5(10) . . . . ?
C127 C126 C125 C124 143.7(8) . . . . ?
C6 N1 C7 C8 -0.6(12) . . . . ?
C6 C5 C4 C3 4.5(12) . . . . ?
C6 C5 C4 N2 -178.2(7) . . . . ?
C6 C5 C9 C8 0.0(13) . . . . ?
C6 C1 C2 C3 4.3(11) . . . . ?
O10 C87 C88 C89 174.9(7) . . . . ?
N11 C108 C103 O11 -0.8(10) . . . . ?
N11 C108 C103 C104 179.6(7) . . . . ?
C17 C18 C19 C20 -0.4(14) . . . . ?
C17 C22 C21 C20 0.3(11) . . . . ?
C17 C22 C21 C25 178.6(8) . . . . ?
N7 C76 C71 O9 1.3(11) . . . . ?
N7 C76 C71 C72 -176.8(8) . . . . ?
C107 C108 C103 O11 178.5(7) . . . . ?
C107 C108 C103 C104 -1.1(11) . . . . ?
C107 C106 C105 C104 1.6(12) . . . . ?
C108 N11 C109 C110 -2.3(13) . . . . ?
C108 C107 C106 N12 -179.7(7) . . . . ?
C108 C107 C106 C105 -4.1(12) . . . . ?
C108 C107 C111 C110 -0.1(12) . . . . ?
C103 C104 C105 C106 1.1(12) . . . . ?
N6 C36 C35 C34 -179.2(8) . . . . ?
N6 C42 C43 C44 -9.0(14) . . . . ?
N6 C42 C43 C48 173.1(9) . . . . ?
C106 N12 C112 C113 -177.2(7) . . . . ?
C106 C107 C108 N11 -176.9(7) . . . . ?
C106 C107 C108 C103 3.8(11) . . . . ?
C106 C107 C111 C110 179.5(8) . . . . ?
C131 C133 C134 O14 -67.3(8) . . . . ?
C131 C133 C134 C135 107.7(8) . . . . ?
C5 C6 C1 O1 179.8(7) . . . . ?
C5 C6 C1 C2 -1.4(11) . . . . ?
C135 C136 C137 C139 -95.8(10) . . . . ?
C135 C136 C137 C138 147.8(9) . . . . ?
C135 C136 C137 C140 21.6(14) . . . . ?
C37 C38 C33 O3 -172.7(6) . . . . ?
C37 C38 C33 C34 4.8(10) . . . . ?
C37 C41 C40 C39 0.7(12) . . . . ?
C37 C36 C35 C34 5.1(13) . . . . ?
C94 C95 C91 C92 -0.3(12) . . . . ?
C94 C95 C91 C90 -177.9(8) . . . . ?
C92 N9 C93 C94 -0.2(12) . . . . ?
C92 C91 C90 N10 177.0(7) . . . . ?
C92 C91 C90 C89 -0.4(12) . . . . ?
C92 C87 C88 C89 -3.7(11) . . . . ?
N2 C10 C11 C0AA 3.5(16) . . . . ?
N2 C10 C11 C12 179.7(11) . . . . ?
N8 C74 C73 C72 -175.4(9) . . . . ?
C38 N5 C39 C40 -0.9(11) . . . . ?
C38 C37 C41 C40 0.9(11) . . . . ?
C38 C37 C36 N6 178.9(7) . . . . ?
C38 C37 C36 C35 -5.1(12) . . . . ?
C83 C82 C81 C86 -4.0(15) . . . . ?
C83 C82 C81 C80 177.1(10) . . . . ?
C83 C84 C85 C86 1.3(17) . . . . ?
C58 C56 C55 O5 57.7(9) . . . . ?
C58 C56 C55 C54 -120.2(8) . . . . ?
C1 C6 C5 C4 -3.0(11) . . . . ?
C1 C6 C5 C9 178.4(7) . . . . ?
C134 C135 C136 O15 -6.6(13) . . . . ?
C134 C135 C136 C137 172.5(8) . . . . ?
C41 C37 C38 N5 -2.6(10) . . . . ?
C41 C37 C38 C33 178.4(7) . . . . ?
C41 C37 C36 N6 0.7(12) . . . . ?
C41 C37 C36 C35 176.7(8) . . . . ?
C61 C63 C64 O6 173.8(7) . . . . ?
C61 C63 C64 C65 -7.6(10) . . . . ?
C63 C64 C65 C66 -176.7(7) . . . . ?
C18 C17 C22 N3 179.7(7) . . . . ?
C18 C17 C22 C21 0.8(11) . . . . ?
C18 C19 C20 C21 1.5(14) . . . . ?
C18 C19 C20 N4 -173.6(10) . . . . ?
C95 C94 C93 N9 -1.7(14) . . . . ?
C95 C91 C90 N10 -5.5(12) . . . . ?
C95 C91 C90 C89 177.0(8) . . . . ?
C136 C135 C134 O14 10.6(13) . . . . ?
C136 C135 C134 C133 -163.9(8) . . . . ?
C113 C118 C117 C116 0.1(17) . . . . ?
C113 C114 C115 C116 -0.7(16) . . . . ?
C126 C125 C124 C123 165.4(8) . . . . ?
C91 C92 C87 O10 -172.6(7) . . . . ?
C91 C92 C87 C88 6.2(11) . . . . ?
C91 C90 C89 C88 3.0(12) . . . . ?
C90 N10 C96 C97 -179.1(8) . . . . ?
C90 C89 C88 C87 -0.9(13) . . . . ?
C22 N3 C23 C24 -2.0(13) . . . . ?
C22 C17 C18 C19 -0.8(12) . . . . ?
C22 C21 C20 C19 -1.4(13) . . . . ?
C22 C21 C20 N4 174.0(9) . . . . ?
C22 C21 C25 C24 -0.5(14) . . . . ?
C21 C20 N4 C26 161.5(10) . . . . ?
C125 C124 C123 O12 -1.7(14) . . . . ?
C125 C124 C123 C122 176.2(8) . . . . ?
C53 C54 C55 O5 4.6(13) . . . . ?
C53 C54 C55 C56 -177.6(8) . . . . ?
C36 N6 C42 C43 -179.2(8) . . . . ?
C36 C37 C38 N5 179.1(7) . . . . ?
C36 C37 C38 C33 0.1(11) . . . . ?
C36 C37 C41 C40 179.1(8) . . . . ?
C112 N12 C106 C107 -144.5(8) . . . . ?
C112 N12 C106 C105 40.1(11) . . . . ?
C112 C113 C118 C117 -178.4(9) . . . . ?
C112 C113 C114 C115 178.8(9) . . . . ?
C39 N5 C38 C37 2.6(10) . . . . ?
C39 N5 C38 C33 -178.4(6) . . . . ?
C33 C34 C35 C36 -0.1(13) . . . . ?
C7 N1 C6 C5 2.8(11) . . . . ?
C7 N1 C6 C1 -178.1(7) . . . . ?
C7 C8 C9 C5 2.0(14) . . . . ?
C78 C79 C75 C76 0.7(12) . . . . ?
C78 C79 C75 C74 -175.3(8) . . . . ?
C105 C104 C103 O11 179.1(7) . . . . ?
C105 C104 C103 C108 -1.4(11) . . . . ?
C19 C20 N4 C26 -23.4(18) . . . . ?
C62 C63 C64 O6 53.6(9) . . . . ?
C62 C63 C64 C65 -127.9(8) . . . . ?
C87 C92 C91 C95 178.2(7) . . . . ?
C87 C92 C91 C90 -4.2(11) . . . . ?
C4 C5 C9 C8 -178.5(9) . . . . ?
C4 C3 C2 C1 -2.9(12) . . . . ?
C4 N2 C10 C11 179.7(9) . . . . ?
C128 C126 C125 O13 -162.5(7) . . . . ?
C128 C126 C125 C124 21.8(11) . . . . ?
C111 C107 C108 N11 2.7(11) . . . . ?
C111 C107 C108 C103 -176.6(7) . . . . ?
C111 C107 C106 N12 0.7(12) . . . . ?
C111 C107 C106 C105 176.4(8) . . . . ?
C111 C110 C109 N11 4.8(14) . . . . ?
C79 C78 C77 N7 0.3(13) . . . . ?
C79 C75 C76 N7 -0.4(12) . . . . ?
C79 C75 C76 C71 179.8(8) . . . . ?
C79 C75 C74 N8 -6.1(13) . . . . ?
C79 C75 C74 C73 179.0(9) . . . . ?
C129 C126 C125 O13 78.8(9) . . . . ?
C129 C126 C125 C124 -97.0(9) . . . . ?
C42 N6 C36 C37 -150.3(8) . . . . ?
C42 N6 C36 C35 34.0(13) . . . . ?
C2 C3 C4 C5 -1.6(12) . . . . ?
C2 C3 C4 N2 -178.6(8) . . . . ?
C124 C123 C122 C121 129.8(9) . . . . ?
C124 C123 C122 C120 7.1(13) . . . . ?
C124 C123 C122 C119 -112.6(10) . . . . ?
C132 C133 C134 O14 173.7(7) . . . . ?
C132 C133 C134 C135 -11.4(11) . . . . ?
C75 C76 C71 O9 -178.9(7) . . . . ?
C75 C76 C71 C72 2.9(13) . . . . ?
C75 C74 C73 C72 -0.9(16) . . . . ?
C77 N7 C76 C75 0.0(11) . . . . ?
C77 N7 C76 C71 179.8(7) . . . . ?
C77 C78 C79 C75 -0.7(13) . . . . ?
C43 C44 C45 C46 -1.0(17) . . . . ?
C43 C48 C47 C46 -0.7(17) . . . . ?
C26 C27 C28 C29 176.0(8) . . . . ?
C26 C27 C32 C31 -176.3(7) . . . . ?
C47 C48 C43 C44 -1.1(16) . . . . ?
C47 C48 C43 C42 176.8(10) . . . . ?
C47 C46 C45 C44 -0.8(18) . . . . ?
C20 C21 C25 C24 177.7(10) . . . . ?
C82 C83 C84 C85 -2.7(18) . . . . ?
C82 C81 C86 C85 2.8(15) . . . . ?
C82 C81 C80 N8 170.1(9) . . . . ?
C118 C113 C112 N12 -2.2(13) . . . . ?
C118 C113 C114 C115 0.4(15) . . . . ?
C118 C117 C116 C115 -0.4(18) . . . . ?
C52 C53 C54 C55 -171.4(8) . . . . ?
C60 C63 C64 O6 -64.3(8) . . . . ?
C60 C63 C64 C65 114.2(8) . . . . ?
C81 C86 C85 C84 -1.4(16) . . . . ?
C25 C21 C20 C19 -179.6(9) . . . . ?
C25 C21 C20 N4 -4.2(14) . . . . ?
C25 C24 C23 N3 1.2(16) . . . . ?
C109 N11 C108 C107 -1.6(11) . . . . ?
C109 N11 C108 C103 177.7(7) . . . . ?
C109 C110 C111 C107 -3.4(14) . . . . ?
C97 C98 C99 C100 0.0 . . . . ?
C98 C97 C102 C101 0.0 . . . . ?
C98 C97 C96 N10 -4.5(13) . . . . ?
C98 C99 C100 C101 0.0 . . . . ?
C99 C100 C101 C102 0.0 . . . . ?
C100 C101 C102 C97 0.0 . . . . ?
C102 C97 C98 C99 0.0 . . . . ?
C102 C97 C96 N10 173.4(8) . . . . ?
C54 C53 C52 C50 105.7(9) . . . . ?
C54 C53 C52 C51 -15.9(13) . . . . ?
C54 C53 C52 C49 -137.2(8) . . . . ?
C35 C34 C33 O3 172.6(7) . . . . ?
C35 C34 C33 C38 -4.8(11) . . . . ?
C76 N7 C77 C78 0.0(11) . . . . ?
C76 C75 C74 N8 178.0(8) . . . . ?
C76 C75 C74 C73 3.0(14) . . . . ?
C71 C72 C73 C74 -0.3(17) . . . . ?
C57 C56 C55 O5 -179.0(8) . . . . ?
C57 C56 C55 C54 3.1(11) . . . . ?
C93 N9 C92 C91 1.8(11) . . . . ?
C93 N9 C92 C87 -177.9(7) . . . . ?
C93 C94 C95 C91 1.9(14) . . . . ?
C74 N8 C80 C81 177.1(8) . . . . ?
C74 C75 C76 N7 175.7(8) . . . . ?
C74 C75 C76 C71 -4.0(12) . . . . ?
C96 N10 C90 C91 145.1(9) . . . . ?
C96 N10 C90 C89 -37.6(14) . . . . ?
C96 C97 C98 C99 177.9(8) . . . . ?
C96 C97 C102 C101 -177.9(8) . . . . ?
C27 C26 N4 C20 174.6(9) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C28 C27 C32 C31 0.0 . . . . ?
C28 C29 C30 C31 0.0 . . . . ?
C29 C30 C31 C32 0.0 . . . . ?
C30 C31 C32 C27 0.0 . . . . ?
C32 C27 C28 C29 0.0 . . . . ?
C9 C5 C4 C3 -177.0(8) . . . . ?
C9 C5 C4 N2 0.3(12) . . . . ?
N4 C26 C27 C28 163.9(10) . . . . ?
N4 C26 C27 C32 -19.9(13) . . . . ?
C23 N3 C22 C17 -177.4(7) . . . . ?
C23 N3 C22 C21 1.5(11) . . . . ?
C23 C24 C25 C21 0.1(16) . . . . ?
C86 C81 C80 N8 -8.8(14) . . . . ?
C59 C56 C55 O5 -59.0(9) . . . . ?
C59 C56 C55 C54 123.2(8) . . . . ?
C65 C66 C70 C67 160.7(10) . . . . ?
C65 C66 C70 C69 -87.5(12) . . . . ?
C65 C66 C70 C68 23.9(16) . . . . ?
C130 C133 C134 O14 51.6(9) . . . . ?
C130 C133 C134 C135 -133.4(8) . . . . ?
C80 N8 C74 C75 145.3(9) . . . . ?
C80 N8 C74 C73 -40.1(14) . . . . ?
C80 C81 C86 C85 -178.3(9) . . . . ?
C70 C66 C65 C64 175.4(9) . . . . ?
C73 C72 C71 O9 -178.9(9) . . . . ?
C73 C72 C71 C76 -0.8(14) . . . . ?
C114 C113 C112 N12 179.4(8) . . . . ?
C114 C113 C118 C117 -0.1(15) . . . . ?
C114 C115 C116 C117 0.6(17) . . . . ?
C10 N2 C4 C5 157.7(9) . . . . ?
C10 N2 C4 C3 -25.2(14) . . . . ?
C10 C11 C0AA C15 -178.7(11) . . . . ?
C10 C11 C12 C13 180.0(13) . . . . ?
C84 C83 C82 C81 4.0(18) . . . . ?
C45 C44 C43 C48 1.9(15) . . . . ?
C45 C44 C43 C42 -175.9(9) . . . . ?
C45 C46 C47 C48 1.7(18) . . . . ?
C11 C0AA C15 C14 -3(2) . . . . ?
C11 C12 C13 C14 0(2) . . . . ?
C0AA C11 C12 C13 -4(2) . . . . ?
C0AA C15 C14 C13 -1(2) . . . . ?
C12 C11 C0AA C15 5.2(19) . . . . ?
C12 C13 C14 C15 2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
