# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 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_shi_3042_maan_1
_database_code_depnum_ccdc_archive 'CCDC 1825560'
_audit_update_record             
;
2018-02-24 deposited with the CCDC.
2018-12-26 downloaded from the CCDC.
;
_audit_creation_date             2018-02-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C132 H144 Eu12 N12 O72, 4(C3 H7 N O)'
_chemical_formula_sum            'C144 H172 Eu12 N16 O76'
_chemical_formula_weight         5166.50
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C30 H30 N2 O6 Eu1'
_chemical_oxdiff_usercomment     R_99
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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   17.1451(6)
_cell_length_b                   17.1531(7)
_cell_length_c                   17.7334(7)
_cell_angle_alpha                70.087(4)
_cell_angle_beta                 87.863(3)
_cell_angle_gamma                86.218(3)
_cell_volume                     4892.1(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    12741
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      28.7560
_cell_measurement_theta_min      1.7090
_exptl_absorpt_coefficient_mu    3.870
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.41518
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.754
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2512
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_av_unetI/netI     0.0645
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41593
_diffrn_reflns_theta_full        24.41
_diffrn_reflns_theta_max         24.41
_diffrn_reflns_theta_min         1.69
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1593
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -12.00  72.00   1.00   20.00    --   17.71  19.00  30.00   84
  2  ω      2.00  80.00   1.00   20.00    --   17.71  57.00 -90.00   78
  3  ω    -18.00  16.00   1.00   20.00    --   17.71 -57.00-150.00   34
  4  ω      3.00  43.00   1.00   20.00    --   17.71 -77.00 -60.00   40
  5  ω     -1.00  44.00   1.00   20.00    --   17.71 -77.00   0.00   45
  6  ω     -8.00  24.00   1.00   20.00    --  -15.44 -99.00 120.00   32
  7  ω      2.00  79.00   1.00   20.00    --   17.71  57.00 120.00   77
  8  ω    -20.00   5.00   1.00   20.00    --  -15.44 -99.00  30.00   25
  9  ω    -50.00  26.00   1.00   20.00    --   17.71 -57.00-180.00   76
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0241673000
_diffrn_orient_matrix_UB_12      0.0278904000
_diffrn_orient_matrix_UB_13      -0.0286105000
_diffrn_orient_matrix_UB_21      0.0329740000
_diffrn_orient_matrix_UB_22      -0.0174176000
_diffrn_orient_matrix_UB_23      0.0243281000
_diffrn_orient_matrix_UB_31      0.0069335000
_diffrn_orient_matrix_UB_32      -0.0293136000
_diffrn_orient_matrix_UB_33      -0.0199953000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                11930
_reflns_number_total             16003
_reflns_odcompleteness_completeness 99.94
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XH (Sheldrick, 2008)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_refine_diff_density_max         2.753
_refine_diff_density_min         -1.485
_refine_diff_density_rms         0.216
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1063
_refine_ls_number_reflns         16003
_refine_ls_number_restraints     37
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0515
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0596P)²+47.8946P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1229
_refine_ls_wR_factor_ref         0.1452
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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
 O32-C70 = O32X-C70X
 1.2 with sigma of 0.01
 O32X-C70X \\sim O32-C70
 with sigma of 0.01
 N8-C70 \\sim N8-C70X
 with sigma of 0.01
 Eu5-O29 \\sim Eu5-O29X
 with sigma of 0.01
 O29X-C61X \\sim O29-C61
 with sigma of 0.01
 N5-C61 \\sim N5X-C61X
 with sigma of 0.01
 N5X-C62X \\sim N5-C63 \\sim N5X-C63X \\sim N5-C62
 with sigma of 0.01
 Eu5-O28X \\sim Eu5-O28
 with sigma of 0.01
 O28-C58 \\sim O28X-C58X
 with sigma of 0.01
 N4-C58 \\sim N4X-C58X
 with sigma of 0.01
 N4X-C59X \\sim N4-C59 \\sim N4-C60 \\sim N4X-C60X
 with sigma of 0.01
 Eu3-O27X \\sim Eu3-O27
 with sigma of 0.01
 O27X-C55X \\sim O27-C55
 with sigma of 0.01
 N3X-C55X \\sim N3-C55
 with sigma of 0.01
 N3-C56 \\sim N3X-C57X \\sim N3-C57 \\sim N3X-C56X
 with sigma of 0.01
 N8-C72X \\sim N8-C72 \\sim N8-C71X \\sim N8-C71
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Uanis(C67X) = Uanis(C67) = Uanis(C69X) = Uanis(C68) = Uanis(C68X) = Uanis(C69)
Uiso(C51) = Uiso(C49X) = Uiso(C49) = Uiso(C50X) = Uiso(C50) = Uiso(C51X)
Uiso(C58) = Uiso(C58X) = Uiso(C59) = Uiso(C59X) = Uiso(N4) = Uiso(N4X) =
Uiso(C60) = Uiso(C60X)
Uiso(O28) = Uiso(O28X)
Uiso(O27) = Uiso(O27X)
Uiso(C55X) = Uiso(C55) = Uiso(N3X) = Uiso(N3) = Uiso(C56) = Uiso(C57X) =
Uiso(C57) = Uiso(C56X)
Uiso(O32) = Uiso(O32X) = Uiso(C70) = Uiso(C70X) = Uiso(C71) = Uiso(C71X) =
Uiso(C72) = Uiso(C72X)
4. Others
 Sof(O29)=Sof(N5)=Sof(C61)=Sof(H61)=Sof(C62)=Sof(H62D)=Sof(H62E)=Sof(H62F)=
 Sof(C63)=Sof(H63D)=Sof(H63E)=Sof(H63F)=1-FVAR(1)
 Sof(O29X)=Sof(N5X)=Sof(C61X)=Sof(H61X)=Sof(C62X)=Sof(H62A)=Sof(H62B)=
 Sof(H62C)=Sof(C63X)=Sof(H63A)=Sof(H63B)=Sof(H63C)=FVAR(1)
 Sof(O28X)=Sof(N4X)=Sof(C58X)=Sof(H58X)=Sof(C59X)=Sof(H59D)=Sof(H59E)=
 Sof(H59F)=Sof(C60X)=Sof(H60D)=Sof(H60E)=Sof(H60F)=1-FVAR(2)
 Sof(O28)=Sof(N4)=Sof(C58)=Sof(H58)=Sof(C59)=Sof(H59A)=Sof(H59B)=Sof(H59C)=
 Sof(C60)=Sof(H60A)=Sof(H60B)=Sof(H60C)=FVAR(2)
 Sof(O27)=Sof(N3)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56D)=Sof(H56E)=Sof(H56F)=
 Sof(C57)=Sof(H57D)=Sof(H57E)=Sof(H57F)=1-FVAR(3)
 Sof(O27X)=Sof(N3X)=Sof(C55X)=Sof(H55X)=Sof(C56X)=Sof(H56A)=Sof(H56B)=
 Sof(H56C)=Sof(C57X)=Sof(H57A)=Sof(H57B)=Sof(H57C)=FVAR(3)
 Fixed Sof: C49X(0.5) H49X(0.5) C50X(0.5) H50A(0.5) H50B(0.5) H50C(0.5)
 C51X(0.5) H51A(0.5) H51B(0.5) H51C(0.5) C67(0.5) H67(0.5) C68(0.5) H68A(0.5)
 H68B(0.5) H68C(0.5) C69(0.5) H69A(0.5) H69B(0.5) H69C(0.5) C49(0.5) H49(0.5)
 C50(0.5) H50D(0.5) H50E(0.5) H50F(0.5) C51(0.5) H51D(0.5) H51E(0.5) H51F(0.5)
 C67X(0.5) H67X(0.5) C68X(0.5) H68D(0.5) H68E(0.5) H68F(0.5) C69X(0.5)
 H69D(0.5) H69E(0.5) H69F(0.5) O32(0.5) C70(0.5) H70(0.5) C71(0.5) H71A(0.5)
 H71B(0.5) H71C(0.5) C72(0.5) H72A(0.5) H72B(0.5) H72C(0.5) O32X(0.5) C70X(0.5)
 H70X(0.5) C71X(0.5) H71D(0.5) H71E(0.5) H71F(0.5) C72X(0.5) H72D(0.5)
 H72E(0.5) H72F(0.5)
5.a Riding coordinates:
 C54(H54A,H54B,H54C), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C50X(H50A,H50B,
 H50C), C51X(H51A,H51B,H51C), C56X(H56A,H56B,H56C), C57X(H57A,H57B,H57C),
 C59(H59A,H59B,H59C), C60(H60A,H60B,H60C), C62X(H62A,H62B,H62C), C63X(H63A,H63B,
 H63C), C68(H68A,H68B,H68C), C69(H69A,H69B,H69C), C50(H50D,H50E,H50F), C51(H51D,
 H51E,H51F), C56(H56D,H56E,H56F), C57(H57D,H57E,H57F), C59X(H59D,H59E,H59F),
 C60X(H60D,H60E,H60F), C62(H62D,H62E,H62F), C63(H63D,H63E,H63F), C68X(H68D,H68E,
 H68F), C69X(H69D,H69E,H69F), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C),
 C71X(H71D,H71E,H71F), C72X(H72D,H72E,H72F)
5.b Ternary CH refined with riding coordinates:
 O33(H33), O34(H34), O35(H35), O36(H36), O37(H37), O38(H38)
5.c Me refined as rotating group:
 C53(H53A,H53B,H53C)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C11(H11), C12(H12), C13(H13), C16(H16),
 C19(H19), C20(H20), C21(H21), C24(H24), C27(H27), C28(H28), C29(H29), C32(H32),
  C35(H35A), C36(H36A), C37(H37A), C40(H40), C43(H43), C44(H44), C45(H45),
 C48(H48), C52(H52), C64(H64), C49X(H49X), C55X(H55X), C58(H58), C61X(H61X),
 C67(H67), C49(H49), C55(H55), C58X(H58X), C61(H61), C67X(H67X), C70(H70),
 C70X(H70X)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Eu1 Eu 0.13701(3) 0.74476(3) 0.48755(3) 0.02260(13) Uani 1 d A . .
Eu2 Eu 0.15519(3) 0.93459(3) 0.53319(3) 0.02045(13) Uani 1 d . . .
Eu3 Eu 0.22417(3) 0.96376(3) 0.32796(3) 0.02407(13) Uani 1 d . . D
Eu4 Eu -0.00251(3) 0.93692(3) 0.37185(3) 0.02055(13) Uani 1 d . . .
Eu5 Eu -0.12563(3) 1.10053(3) 0.23428(3) 0.02460(13) Uani 1 d . . D
Eu6 Eu -0.20562(3) 0.88163(3) 0.39047(3) 0.02353(13) Uani 1 d . . .
O1 O 0.1714(4) 0.7830(4) 0.7325(4) 0.0307(17) Uani 1 d . . .
O2 O 0.1577(4) 0.7817(4) 0.6095(4) 0.0279(16) Uani 1 d . . .
O3 O 0.0756(5) 0.6569(4) 0.5947(4) 0.0346(18) Uani 1 d . . .
O4 O -0.0470(5) 0.4564(5) 0.6979(5) 0.053(2) Uani 1 d . . .
O5 O 0.0225(4) 0.8664(4) 0.2655(4) 0.0296(16) Uani 1 d A . .
O6 O 0.1203(4) 0.8612(4) 0.3442(4) 0.0250(15) Uani 1 d A . .
O7 O 0.2588(4) 0.8810(5) 0.2524(5) 0.0380(19) Uani 1 d A . .
O8 O 0.4023(6) 0.7683(8) 0.1311(7) 0.089(4) Uani 1 d . . .
O9 O 0.1401(4) 1.0280(4) 0.2169(4) 0.0302(17) Uani 1 d A . .
O10 O 0.0136(4) 1.0496(4) 0.2387(4) 0.0245(15) Uani 1 d A . .
O11 O -0.0577(5) 1.1952(5) 0.1422(5) 0.044(2) Uani 1 d A . .
O12 O -0.0496(6) 1.4011(6) -0.0467(6) 0.072(3) Uani 1 d A . .
O13 O -0.2932(4) 1.1117(4) 0.4168(4) 0.0309(17) Uani 1 d . . .
O14 O -0.2234(4) 1.0381(4) 0.3547(4) 0.0258(16) Uani 1 d . . .
O15 O -0.3172(4) 0.9275(4) 0.3189(5) 0.0342(18) Uani 1 d A . .
O16 O -0.5013(6) 0.9192(8) 0.1902(8) 0.088(4) Uani 1 d A . .
O17 O -0.2847(4) 0.8998(4) 0.4950(4) 0.0312(17) Uani 1 d A . .
O18 O -0.2487(4) 0.9757(4) 0.5659(4) 0.0268(16) Uani 1 d . . .
O19 O -0.2737(5) 0.9094(5) 0.7292(5) 0.048(2) Uani 1 d . . .
O20 O -0.3544(7) 0.7279(7) 0.9181(6) 0.090(4) Uani 1 d A . .
O21 O 0.0249(4) 0.7113(4) 0.4333(4) 0.0292(16) Uani 1 d A . .
O22 O -0.0743(4) 0.8065(4) 0.4130(4) 0.0244(15) Uani 1 d A . .
O23 O -0.2165(5) 0.7467(4) 0.4681(5) 0.0389(19) Uani 1 d A . .
O24 O -0.3618(6) 0.5655(7) 0.5133(10) 0.117(5) Uani 1 d A . .
O25 O 0.2535(5) 0.6675(6) 0.5510(6) 0.051(2) Uani 1 d . . .
O26 O 0.1933(5) 0.6795(4) 0.4015(5) 0.0384(19) Uani 1 d . . .
O30 O -0.1930(5) 0.8135(5) 0.2902(5) 0.045(2) Uani 1 d A . .
O31 O -0.0659(5) 0.8236(4) 0.6198(5) 0.041(2) Uani 1 d . . .
O33 O 0.2203(4) 0.8571(4) 0.4562(4) 0.0245(15) Uani 1 d A . .
H33 H 0.2732 0.8376 0.4759 0.029 Uiso 1 calc . . R
O34 O 0.0555(4) 0.8592(4) 0.4959(4) 0.0206(14) Uani 1 d A . .
H34 H 0.0158 0.8410 0.5385 0.025 Uiso 1 calc . . R
O35 O 0.1084(4) 1.0009(4) 0.3952(4) 0.0213(14) Uani 1 d A . .
H35 H 0.0993 1.0611 0.3810 0.026 Uiso 1 calc . . R
O36 O 0.0627(4) 0.9249(4) 0.6385(4) 0.0216(14) Uani 1 d . . .
H36 H 0.0236 0.8846 0.6421 0.026 Uiso 1 calc . . R
O37 O -0.1141(4) 0.9328(4) 0.4629(4) 0.0221(15) Uani 1 d . . .
H37 H -0.1040 0.8929 0.5167 0.027 Uiso 1 calc . . R
O38 O -0.1168(4) 0.9562(4) 0.2939(4) 0.0224(15) Uani 1 d A . .
H38 H -0.1077 0.9303 0.2526 0.027 Uiso 1 calc . . R
N1 N 0.2591(6) 0.6061(7) 0.3351(6) 0.050(3) Uani 1 d . . .
N2 N 0.3168(8) 0.6263(9) 0.6678(9) 0.075(4) Uiso 1 d . . .
N6 N -0.1753(7) 0.7048(6) 0.2458(6) 0.052(3) Uani 1 d A . .
N7 N -0.1195(5) 0.7070(5) 0.7016(5) 0.031(2) Uani 1 d . . .
C1 C 0.1497(6) 0.7482(6) 0.6845(6) 0.025(2) Uani 1 d . . .
C2 C 0.1143(6) 0.6661(6) 0.7200(6) 0.031(2) Uani 1 d . . .
C3 C 0.1114(8) 0.6305(7) 0.8024(7) 0.045(3) Uani 1 d . . .
H3 H 0.1353 0.6562 0.8331 0.054 Uiso 1 calc . . R
C4 C 0.0740(8) 0.5572(7) 0.8415(7) 0.043(3) Uani 1 d . . .
H4 H 0.0749 0.5333 0.8971 0.052 Uiso 1 calc . . R
C5 C 0.0366(7) 0.5219(7) 0.7966(8) 0.045(3) Uani 1 d . . .
H5 H 0.0109 0.4735 0.8224 0.054 Uiso 1 calc . . R
C6 C 0.0352(7) 0.5550(6) 0.7140(7) 0.035(3) Uani 1 d . . .
C7 C 0.0758(6) 0.6289(6) 0.6722(6) 0.029(2) Uani 1 d . . .
C8 C -0.0117(7) 0.5201(7) 0.6675(8) 0.042(3) Uani 1 d . . .
H8 H -0.0151 0.5473 0.6125 0.050 Uiso 1 calc . . R
C9 C 0.0924(7) 0.8512(6) 0.2816(6) 0.028(2) Uani 1 d A . .
C10 C 0.1477(7) 0.8170(7) 0.2302(7) 0.040(3) Uani 1 d . . .
C11 C 0.1140(8) 0.7692(8) 0.1921(8) 0.048(3) Uani 1 d A . .
H11 H 0.0610 0.7599 0.1992 0.058 Uiso 1 calc . . R
C12 C 0.1609(9) 0.7342(9) 0.1420(9) 0.060(4) Uani 1 d . . .
H12 H 0.1388 0.7039 0.1145 0.072 Uiso 1 calc A . R
C13 C 0.2392(8) 0.7465(9) 0.1358(8) 0.058(4) Uani 1 d A . .
H13 H 0.2705 0.7216 0.1055 0.069 Uiso 1 calc . . R
C14 C 0.2739(8) 0.7946(7) 0.1728(7) 0.042(3) Uani 1 d . . .
C15 C 0.2270(7) 0.8334(7) 0.2208(6) 0.035(3) Uani 1 d A . .
C16 C 0.3561(9) 0.8006(9) 0.1680(9) 0.059(4) Uani 1 d A . .
H16 H 0.3770 0.8319 0.1953 0.071 Uiso 1 calc . . R
C17 C 0.0770(6) 1.0705(6) 0.1992(6) 0.026(2) Uani 1 d . . .
C18 C 0.0756(7) 1.1487(7) 0.1286(6) 0.034(3) Uani 1 d A . .
C19 C 0.1449(8) 1.1680(8) 0.0856(8) 0.047(3) Uani 1 d . . .
H19 H 0.1883 1.1310 0.1007 0.056 Uiso 1 calc A . R
C20 C 0.1520(9) 1.2406(8) 0.0208(8) 0.058(4) Uani 1 d A . .
H20 H 0.2000 1.2521 -0.0057 0.069 Uiso 1 calc . . R
C21 C 0.0894(8) 1.2949(8) -0.0041(7) 0.049(3) Uani 1 d . . .
H21 H 0.0948 1.3435 -0.0476 0.059 Uiso 1 calc A . R
C22 C 0.0172(7) 1.2787(6) 0.0346(6) 0.033(3) Uani 1 d A . .
C23 C 0.0081(7) 1.2060(6) 0.1037(6) 0.031(2) Uani 1 d . . .
C24 C -0.0503(8) 1.3356(7) 0.0081(7) 0.043(3) Uani 1 d . . .
H24 H -0.0976 1.3208 0.0351 0.052 Uiso 1 calc A . R
C25 C -0.2905(6) 1.0700(6) 0.3715(6) 0.028(2) Uani 1 d . . .
C26 C -0.3631(7) 1.0586(7) 0.3334(7) 0.037(3) Uani 1 d A . .
C27 C -0.4239(7) 1.1169(7) 0.3245(7) 0.040(3) Uani 1 d . . .
H27 H -0.4195 1.1601 0.3443 0.047 Uiso 1 calc A . R
C28 C -0.4910(7) 1.1124(8) 0.2869(9) 0.052(3) Uani 1 d A . .
H28 H -0.5322 1.1516 0.2829 0.062 Uiso 1 calc . . R
C29 C -0.4979(7) 1.0511(8) 0.2556(8) 0.048(3) Uani 1 d . . .
H29 H -0.5432 1.0502 0.2287 0.058 Uiso 1 calc A . R
C30 C -0.4388(7) 0.9899(8) 0.2628(7) 0.041(3) Uani 1 d A . .
C31 C -0.3698(6) 0.9891(6) 0.3050(7) 0.032(3) Uani 1 d . . .
C32 C -0.4447(8) 0.9250(9) 0.2285(9) 0.056(4) Uani 1 d . . .
H32 H -0.4033 0.8854 0.2357 0.067 Uiso 1 calc A . R
C33 C -0.2791(6) 0.9111(6) 0.5625(6) 0.025(2) Uani 1 d . . .
C34 C -0.3083(6) 0.8446(7) 0.6379(7) 0.034(3) Uani 1 d A . .
C35 C -0.3390(7) 0.7776(7) 0.6259(8) 0.046(3) Uani 1 d . . .
H35A H -0.3406 0.7761 0.5741 0.056 Uiso 1 calc A . R
C36 C -0.3673(8) 0.7129(8) 0.6883(9) 0.055(4) Uani 1 d A . .
H36A H -0.3897 0.6692 0.6787 0.065 Uiso 1 calc . . R
C37 C -0.3619(7) 0.7139(7) 0.7647(9) 0.049(3) Uani 1 d . . .
H37A H -0.3794 0.6697 0.8077 0.058 Uiso 1 calc A . R
C38 C -0.3303(7) 0.7806(7) 0.7789(8) 0.041(3) Uani 1 d A . .
C39 C -0.3018(6) 0.8482(7) 0.7156(7) 0.033(3) Uani 1 d . . .
C40 C -0.3299(9) 0.7820(10) 0.8582(9) 0.066(4) Uani 1 d . . .
H40 H -0.3094 0.8277 0.8657 0.079 Uiso 1 calc A . R
C41 C -0.0466(6) 0.7315(6) 0.4299(6) 0.024(2) Uani 1 d . . .
C42 C -0.1039(6) 0.6636(6) 0.4490(6) 0.023(2) Uani 1 d A . .
C43 C -0.0748(7) 0.5866(6) 0.4478(7) 0.034(3) Uani 1 d . . .
H43 H -0.0217 0.5794 0.4376 0.041 Uiso 1 calc A . R
C44 C -0.1214(8) 0.5198(7) 0.4610(8) 0.050(3) Uani 1 d A . .
H44 H -0.1010 0.4686 0.4598 0.060 Uiso 1 calc . . R
C45 C -0.2012(8) 0.5339(7) 0.4763(8) 0.049(3) Uani 1 d . . .
H45 H -0.2341 0.4907 0.4844 0.059 Uiso 1 calc A . R
C46 C -0.2332(7) 0.6081(7) 0.4799(7) 0.037(3) Uani 1 d A . .
C47 C -0.1854(7) 0.6770(6) 0.4651(6) 0.031(3) Uani 1 d . . .
C48 C -0.3145(8) 0.6190(8) 0.4995(11) 0.074(5) Uani 1 d . . .
H48 H -0.3322 0.6706 0.5017 0.089 Uiso 1 calc A . R
C52 C 0.1952(7) 0.6334(7) 0.3611(7) 0.040(3) Uani 1 d B . .
H52 H 0.1479 0.6173 0.3487 0.048 Uiso 1 calc . . R
C53 C 0.2568(12) 0.5505(10) 0.2882(10) 0.090(6) Uani 1 d B . .
H53A H 0.2797 0.4968 0.3185 0.135 Uiso 1 calc . . GR
H53B H 0.2857 0.5729 0.2389 0.135 Uiso 1 calc . . GR
H53C H 0.2035 0.5453 0.2767 0.135 Uiso 1 calc . . GR
C54 C 0.3353(8) 0.6295(10) 0.3526(10) 0.073(5) Uani 1 d B . .
H54A H 0.3281 0.6671 0.3822 0.109 Uiso 1 d . . R
H54B H 0.3626 0.6560 0.3031 0.109 Uiso 1 d . . R
H54C H 0.3653 0.5806 0.3837 0.109 Uiso 1 d . . R
C64 C -0.2156(9) 0.7551(9) 0.2750(8) 0.056(4) Uani 1 d . . .
H64 H -0.2682 0.7450 0.2855 0.067 Uiso 1 calc A . R
C65 C -0.2113(14) 0.6358(11) 0.2334(13) 0.115(8) Uani 1 d . . .
H65A H -0.1859 0.5850 0.2672 0.172 Uiso 1 d A . R
H65B H -0.2047 0.6394 0.1783 0.172 Uiso 1 d . . R
H65C H -0.2660 0.6366 0.2469 0.172 Uiso 1 d . . R
C66 C -0.0931(9) 0.7143(10) 0.2284(9) 0.069(4) Uani 1 d . . .
H66A H -0.0839 0.7300 0.1715 0.103 Uiso 1 d A . R
H66B H -0.0652 0.6623 0.2550 0.103 Uiso 1 d . . R
H66C H -0.0751 0.7562 0.2472 0.103 Uiso 1 d . . R
O27X O 0.3616(10) 0.938(3) 0.360(3) 0.045(3) Uiso 0.24(2) d A 1 D
O28 O -0.1009(11) 1.0352(11) 0.1329(9) 0.035(3) Uiso 0.505(17) d A 1 D
O29X O -0.2465(10) 1.1446(18) 0.1679(15) 0.028(8) Uiso 0.41(4) d A 1 D
N3X N 0.466(4) 0.866(3) 0.430(4) 0.077(3) Uiso 0.24(2) d A 1 D
N4 N -0.0865(16) 1.0016(14) 0.0243(12) 0.063(3) Uiso 0.505(17) d A 1 D
N5X N -0.3639(14) 1.2064(18) 0.1137(17) 0.048(9) Uiso 0.41(4) d A 1 D
C49X C 0.295(2) 0.682(3) 0.599(3) 0.092(5) Uiso 0.50 d B 1 .
H49X H 0.3121 0.7359 0.5868 0.111 Uiso 0.50 calc B 1 R
C50X C 0.283(2) 0.546(2) 0.696(2) 0.092(5) Uiso 0.50 d B 1 .
H50A H 0.2341 0.5486 0.7239 0.139 Uiso 0.50 d B 1 R
H50B H 0.3191 0.5070 0.7327 0.139 Uiso 0.50 d B 1 R
H50C H 0.2748 0.5278 0.6518 0.139 Uiso 0.50 d B 1 R
C51X C 0.364(2) 0.643(2) 0.730(2) 0.092(5) Uiso 0.50 d B 1 .
H51A H 0.4030 0.6802 0.7025 0.139 Uiso 0.50 d B 1 R
H51B H 0.3880 0.5915 0.7631 0.139 Uiso 0.50 d B 1 R
H51C H 0.3314 0.6674 0.7622 0.139 Uiso 0.50 d B 1 R
C55X C 0.406(5) 0.881(5) 0.377(6) 0.077(3) Uiso 0.24(2) d A 1 D
H55X H 0.4003 0.8417 0.3527 0.092 Uiso 0.24(2) calc A 1 R
C56X C 0.478(5) 0.929(5) 0.460(4) 0.077(3) Uiso 0.24(2) d A 1 D
H56A H 0.4892 0.9804 0.4179 0.115 Uiso 0.24(2) d A 1 R
H56B H 0.4326 0.9390 0.4898 0.115 Uiso 0.24(2) d A 1 R
H56C H 0.5214 0.9099 0.4944 0.115 Uiso 0.24(2) d A 1 R
C57X C 0.504(4) 0.790(3) 0.475(4) 0.077(3) Uiso 0.24(2) d A 1 D
H57A H 0.4736 0.7423 0.4952 0.115 Uiso 0.24(2) d A 1 R
H57B H 0.5283 0.7918 0.4247 0.115 Uiso 0.24(2) d A 1 R
H57C H 0.5436 0.7878 0.5126 0.115 Uiso 0.24(2) d A 1 R
C58 C -0.1066(19) 1.0548(17) 0.0627(13) 0.063(3) Uiso 0.505(17) d A 1 D
H58 H -0.1255 1.1083 0.0335 0.076 Uiso 0.505(17) calc A 1 R
C59 C -0.060(2) 0.9160(15) 0.0631(18) 0.063(3) Uiso 0.505(17) d A 1 D
H59A H -0.0057 0.9130 0.0746 0.095 Uiso 0.505(17) d A 1 R
H59B H -0.0684 0.8841 0.0291 0.095 Uiso 0.505(17) d A 1 R
H59C H -0.0895 0.8940 0.1123 0.095 Uiso 0.505(17) d A 1 R
C60 C -0.1034(19) 1.0246(18) -0.0598(14) 0.063(3) Uiso 0.505(17) d A 1 D
H60A H -0.1413 1.0707 -0.0755 0.095 Uiso 0.505(17) d A 1 R
H60B H -0.1230 0.9784 -0.0707 0.095 Uiso 0.505(17) d A 1 R
H60C H -0.0556 1.0401 -0.0896 0.095 Uiso 0.505(17) d A 1 R
C61X C -0.2990(15) 1.194(2) 0.157(2) 0.040(10) Uiso 0.41(4) d A 1 D
H61X H -0.2947 1.2330 0.1823 0.049 Uiso 0.41(4) calc A 1 R
C62X C -0.430(2) 1.267(3) 0.115(3) 0.088(16) Uiso 0.41(4) d A 1 D
H62A H -0.4262 1.2885 0.1579 0.132 Uiso 0.41(4) d A 1 R
H62B H -0.4786 1.2408 0.1197 0.132 Uiso 0.41(4) d A 1 R
H62C H -0.4278 1.3116 0.0645 0.132 Uiso 0.41(4) d A 1 R
C63X C -0.375(3) 1.141(3) 0.078(2) 0.073(14) Uiso 0.41(4) d A 1 D
H63A H -0.3487 1.1539 0.0267 0.110 Uiso 0.41(4) d A 1 R
H63B H -0.4302 1.1423 0.0710 0.110 Uiso 0.41(4) d A 1 R
H63C H -0.3569 1.0868 0.1122 0.110 Uiso 0.41(4) d A 1 R
C67 C -0.0776(15) 0.7802(14) 0.6926(16) 0.045(3) Uani 0.50 d C 1 .
H67 H -0.0610 0.7939 0.7356 0.054 Uiso 0.50 calc C 1 R
C68 C -0.1368(15) 0.6508(14) 0.7796(15) 0.045(3) Uani 0.50 d C 1 .
H68A H -0.0945 0.6097 0.7976 0.068 Uiso 0.50 d C 1 R
H68B H -0.1842 0.6238 0.7798 0.068 Uiso 0.50 d C 1 R
H68C H -0.1430 0.6827 0.8148 0.068 Uiso 0.50 d C 1 R
C69 C -0.1297(15) 0.6898(14) 0.6389(15) 0.045(3) Uani 0.50 d C 1 .
H69A H -0.1419 0.7396 0.5947 0.068 Uiso 0.50 d C 1 R
H69B H -0.1712 0.6527 0.6470 0.068 Uiso 0.50 d C 1 R
H69C H -0.0818 0.6634 0.6275 0.068 Uiso 0.50 d C 1 R
O27 O 0.3580(6) 0.9191(9) 0.3662(11) 0.045(3) Uiso 0.76(2) d A 2 D
O28X O -0.1284(11) 1.0355(11) 0.1322(9) 0.035(3) Uiso 0.495(17) d A 2 D
O29 O -0.2426(9) 1.1315(14) 0.1609(12) 0.043(8) Uiso 0.59(4) d A 2 D
N3 N 0.4685(13) 0.8483(12) 0.4167(13) 0.077(3) Uiso 0.76(2) d A 2 D
N4X N -0.1261(17) 0.9953(14) 0.0276(13) 0.063(3) Uiso 0.495(17) d A 2 D
N5 N -0.3541(11) 1.1757(13) 0.0964(13) 0.053(6) Uiso 0.59(4) d A 2 D
C49 C 0.267(2) 0.617(3) 0.615(3) 0.092(5) Uiso 0.50 d B 2 .
H49 H 0.2413 0.5678 0.6296 0.111 Uiso 0.50 calc B 2 R
C50 C 0.319(2) 0.558(2) 0.748(2) 0.092(5) Uiso 0.50 d B 2 .
H50D H 0.3232 0.5803 0.7905 0.139 Uiso 0.50 d B 2 R
H50E H 0.3638 0.5206 0.7490 0.139 Uiso 0.50 d B 2 R
H50F H 0.2724 0.5287 0.7552 0.139 Uiso 0.50 d B 2 R
C51 C 0.356(2) 0.697(2) 0.644(2) 0.092(5) Uiso 0.50 d B 2 .
H51D H 0.3871 0.6977 0.5980 0.139 Uiso 0.50 d B 2 R
H51E H 0.3888 0.6986 0.6861 0.139 Uiso 0.50 d B 2 R
H51F H 0.3196 0.7450 0.6299 0.139 Uiso 0.50 d B 2 R
C55 C 0.4054(17) 0.8674(18) 0.368(2) 0.077(3) Uiso 0.76(2) d A 2 D
H55 H 0.3999 0.8367 0.3349 0.092 Uiso 0.76(2) calc A 2 R
C56 C 0.5202(12) 0.7822(13) 0.4151(14) 0.077(3) Uiso 0.76(2) d A 2 D
H56D H 0.5691 0.8054 0.3937 0.115 Uiso 0.76(2) d A 2 R
H56E H 0.5288 0.7387 0.4656 0.115 Uiso 0.76(2) d A 2 R
H56F H 0.4981 0.7600 0.3783 0.115 Uiso 0.76(2) d A 2 R
C57 C 0.4900(15) 0.8922(16) 0.4656(14) 0.077(3) Uiso 0.76(2) d A 2 D
H57D H 0.4980 0.9492 0.4351 0.115 Uiso 0.76(2) d A 2 R
H57E H 0.4486 0.8893 0.5043 0.115 Uiso 0.76(2) d A 2 R
H57F H 0.5372 0.8663 0.4929 0.115 Uiso 0.76(2) d A 2 R
C58X C -0.1303(19) 1.0537(18) 0.0619(13) 0.063(3) Uiso 0.495(17) d A 2 D
H58X H -0.1349 1.1094 0.0300 0.076 Uiso 0.495(17) calc A 2 R
C59X C -0.104(2) 0.9088(15) 0.0683(18) 0.063(3) Uiso 0.495(17) d A 2 D
H59D H -0.0701 0.9041 0.1116 0.095 Uiso 0.495(17) d A 2 R
H59E H -0.0774 0.8860 0.0314 0.095 Uiso 0.495(17) d A 2 R
H59F H -0.1500 0.8789 0.0892 0.095 Uiso 0.495(17) d A 2 R
C60X C -0.1639(19) 1.0175(19) -0.0487(15) 0.063(3) Uiso 0.495(17) d A 2 D
H60D H -0.2193 1.0262 -0.0426 0.095 Uiso 0.495(17) d A 2 R
H60E H -0.1536 0.9739 -0.0709 0.095 Uiso 0.495(17) d A 2 R
H60F H -0.1429 1.0678 -0.0842 0.095 Uiso 0.495(17) d A 2 R
C61 C -0.2959(15) 1.180(2) 0.143(2) 0.076(13) Uiso 0.59(4) d A 2 D
H61 H -0.2979 1.2245 0.1616 0.091 Uiso 0.59(4) calc A 2 R
C62 C -0.350(2) 1.101(2) 0.0719(18) 0.082(10) Uiso 0.59(4) d A 2 D
H62D H -0.3495 1.1187 0.0143 0.123 Uiso 0.59(4) d A 2 R
H62E H -0.3956 1.0700 0.0924 0.123 Uiso 0.59(4) d A 2 R
H62F H -0.3040 1.0662 0.0919 0.123 Uiso 0.59(4) d A 2 R
C63 C -0.4165(15) 1.2437(17) 0.074(2) 0.077(10) Uiso 0.59(4) d A 2 D
H63D H -0.4082 1.2855 0.0975 0.116 Uiso 0.59(4) d A 2 R
H63E H -0.4659 1.2202 0.0928 0.116 Uiso 0.59(4) d A 2 R
H63F H -0.4164 1.2682 0.0170 0.116 Uiso 0.59(4) d A 2 R
C67X C -0.1029(15) 0.7586(14) 0.6294(16) 0.045(3) Uani 0.50 d C 2 .
H67X H -0.1183 0.7475 0.5846 0.054 Uiso 0.50 calc C 2 R
C68X C -0.1649(15) 0.6343(14) 0.7095(15) 0.045(3) Uani 0.50 d C 2 .
H68D H -0.2178 0.6444 0.7249 0.068 Uiso 0.50 d C 2 R
H68E H -0.1418 0.5863 0.7497 0.068 Uiso 0.50 d C 2 R
H68F H -0.1644 0.6249 0.6591 0.068 Uiso 0.50 d C 2 R
C69X C -0.0996(15) 0.7202(14) 0.7725(15) 0.045(3) Uani 0.50 d C 2 .
H69D H -0.0529 0.7503 0.7633 0.068 Uiso 0.50 d C 2 R
H69E H -0.0909 0.6677 0.8144 0.068 Uiso 0.50 d C 2 R
H69F H -0.1416 0.7517 0.7880 0.068 Uiso 0.50 d C 2 R
N8 N 0.2443(10) 0.5121(11) 0.0182(10) 0.095(5) Uani 1 d . . D
O32 O 0.288(3) 0.615(3) -0.060(3) 0.160(7) Uiso 0.50 d D 1 D
C70 C 0.253(3) 0.556(3) -0.057(3) 0.160(7) Uiso 0.50 d D 1 D
H70 H 0.2346 0.5446 -0.1010 0.192 Uiso 0.50 calc D 1 R
C71 C 0.217(4) 0.436(3) 0.020(4) 0.160(7) Uiso 0.50 d D 1 D
H71A H 0.2385 0.3916 0.0640 0.240 Uiso 0.50 d D 1 R
H71B H 0.1608 0.4372 0.0232 0.240 Uiso 0.50 d D 1 R
H71C H 0.2339 0.4287 -0.0298 0.240 Uiso 0.50 d D 1 R
C72 C 0.246(4) 0.524(4) 0.093(2) 0.160(7) Uiso 0.50 d D 1 D
H72A H 0.1938 0.5210 0.1148 0.240 Uiso 0.50 d D 1 R
H72B H 0.2796 0.4821 0.1295 0.240 Uiso 0.50 d D 1 R
H72C H 0.2646 0.5777 0.0848 0.240 Uiso 0.50 d D 1 R
O32X O 0.308(2) 0.593(3) -0.098(2) 0.160(7) Uiso 0.50 d D 2 D
C70X C 0.278(4) 0.533(3) -0.053(2) 0.160(7) Uiso 0.50 d D 2 D
H70X H 0.2778 0.4903 -0.0743 0.192 Uiso 0.50 calc D 2 R
C71X C 0.195(3) 0.447(3) 0.053(4) 0.160(7) Uiso 0.50 d D 2 D
H71D H 0.1613 0.4437 0.0124 0.240 Uiso 0.50 d D 2 R
H71E H 0.2248 0.3953 0.0753 0.240 Uiso 0.50 d D 2 R
H71F H 0.1631 0.4574 0.0953 0.240 Uiso 0.50 d D 2 R
C72X C 0.249(4) 0.568(3) 0.060(3) 0.160(7) Uiso 0.50 d D 2 D
H72D H 0.1974 0.5881 0.0692 0.240 Uiso 0.50 d D 2 R
H72E H 0.2751 0.5425 0.1100 0.240 Uiso 0.50 d D 2 R
H72F H 0.2781 0.6138 0.0265 0.240 Uiso 0.50 d D 2 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
Eu1 O2 2.496(7) . ?
Eu1 O3 2.258(7) . ?
Eu1 O6 2.656(7) . ?
Eu1 O21 2.368(7) . ?
Eu1 O25 2.412(8) . ?
Eu1 O26 2.329(7) . ?
Eu1 O33 2.374(6) . ?
Eu1 O34 2.376(6) . ?
Eu2 O2 2.506(6) . ?
Eu2 O13 2.538(7) 2_576 ?
Eu2 O14 2.534(6) 2_576 ?
Eu2 O18 2.510(7) 2_576 ?
Eu2 O33 2.408(6) . ?
Eu2 O34 2.447(6) . ?
Eu2 O35 2.460(6) . ?
Eu2 O36 2.373(6) . ?
Eu2 O37 2.360(6) 2_576 ?
Eu2 C25 2.901(10) 2_576 ?
Eu3 O6 2.526(6) . ?
Eu3 O7 2.299(7) . ?
Eu3 O9 2.386(7) . ?
Eu3 O18 2.499(6) 2_576 ?
Eu3 O19 2.271(8) 2_576 ?
Eu3 O33 2.387(7) . ?
Eu3 O35 2.437(6) . ?
Eu3 O27X 2.419(12) . ?
Eu3 O27 2.417(9) . ?
Eu4 Eu2 3.9980(7) 2_576 ?
Eu4 O5 2.575(7) . ?
Eu4 O6 2.521(6) . ?
Eu4 O10 2.510(7) . ?
Eu4 O22 2.497(6) . ?
Eu4 O34 2.366(6) . ?
Eu4 O35 2.374(6) . ?
Eu4 O36 2.472(6) 2_576 ?
Eu4 O37 2.446(6) . ?
Eu4 O38 2.380(6) . ?
Eu4 C9 2.908(10) . ?
Eu5 Eu2 3.9769(7) 2_576 ?
Eu5 O1 2.349(6) 2_576 ?
Eu5 O10 2.482(7) . ?
Eu5 O11 2.228(7) . ?
Eu5 O14 2.631(7) . ?
Eu5 O36 2.427(6) 2_576 ?
Eu5 O38 2.334(6) . ?
Eu5 O28 2.433(9) . ?
Eu5 O29X 2.370(10) . ?
Eu5 O28X 2.432(9) . ?
Eu5 O29 2.362(9) . ?
Eu6 Eu2 3.9838(6) 2_576 ?
Eu6 O14 2.539(6) . ?
Eu6 O15 2.278(7) . ?
Eu6 O17 2.350(7) . ?
Eu6 O22 2.494(7) . ?
Eu6 O23 2.270(7) . ?
Eu6 O30 2.434(7) . ?
Eu6 O37 2.445(6) . ?
Eu6 O38 2.337(6) . ?
O1 Eu5 2.349(6) 2_576 ?
O1 C1 1.272(11) . ?
O2 C1 1.261(12) . ?
O3 C7 1.292(12) . ?
O4 C8 1.229(13) . ?
O5 C9 1.232(13) . ?
O6 C9 1.292(12) . ?
O7 C15 1.294(12) . ?
O8 C16 1.231(15) . ?
O9 C17 1.251(12) . ?
O10 C17 1.274(12) . ?
O11 C23 1.286(13) . ?
O12 C24 1.210(13) . ?
O13 Eu2 2.538(7) 2_576 ?
O13 C25 1.242(12) . ?
O14 Eu2 2.534(6) 2_576 ?
O14 C25 1.310(12) . ?
O15 C31 1.305(12) . ?
O16 C32 1.234(15) . ?
O17 C33 1.283(12) . ?
O18 Eu2 2.510(7) 2_576 ?
O18 Eu3 2.499(6) 2_576 ?
O18 C33 1.276(11) . ?
O19 Eu3 2.271(8) 2_576 ?
O19 C39 1.282(13) . ?
O20 C40 1.229(17) . ?
O21 C41 1.251(12) . ?
O22 C41 1.280(11) . ?
O23 C47 1.294(12) . ?
O24 C48 1.221(15) . ?
O25 C49X 1.24(4) . ?
O25 C49 1.19(4) . ?
O26 C52 1.233(13) . ?
O30 C64 1.213(14) . ?
O31 C67 1.27(3) . ?
O31 C67X 1.28(2) . ?
O33 H33 0.9800 . ?
O34 H34 0.9800 . ?
O35 H35 0.9800 . ?
O36 Eu4 2.472(6) 2_576 ?
O36 Eu5 2.427(6) 2_576 ?
O36 H36 0.9800 . ?
O37 Eu2 2.360(6) 2_576 ?
O37 H37 0.9800 . ?
O38 H38 0.9800 . ?
N1 C52 1.294(15) . ?
N1 C53 1.467(16) . ?
N1 C54 1.466(17) . ?
N2 C49X 1.31(4) . ?
N2 C50X 1.45(4) . ?
N2 C51X 1.50(4) . ?
N2 C49 1.34(4) . ?
N2 C50 1.50(4) . ?
N2 C51 1.36(4) . ?
N6 C64 1.300(16) . ?
N6 C65 1.453(18) . ?
N6 C66 1.441(18) . ?
N7 C67 1.45(2) . ?
N7 C68 1.43(2) . ?
N7 C69 1.26(2) . ?
N7 C67X 1.32(3) . ?
N7 C68X 1.48(2) . ?
N7 C69X 1.41(2) . ?
C1 C2 1.493(14) . ?
C2 C3 1.380(15) . ?
C2 C7 1.424(14) . ?
C3 H3 0.9300 . ?
C3 C4 1.395(16) . ?
C4 H4 0.9300 . ?
C4 C5 1.353(16) . ?
C5 H5 0.9300 . ?
C5 C6 1.379(16) . ?
C6 C7 1.442(14) . ?
C6 C8 1.461(16) . ?
C8 H8 0.9300 . ?
C9 C10 1.517(15) . ?
C10 C11 1.390(15) . ?
C10 C15 1.399(16) . ?
C11 H11 0.9300 . ?
C11 C12 1.429(17) . ?
C12 H12 0.9300 . ?
C12 C13 1.367(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.388(16) . ?
C14 C15 1.442(15) . ?
C14 C16 1.417(18) . ?
C16 H16 0.9300 . ?
C17 C18 1.490(14) . ?
C18 C19 1.385(16) . ?
C18 C23 1.447(16) . ?
C19 H19 0.9300 . ?
C19 C20 1.385(17) . ?
C20 H20 0.9300 . ?
C20 C21 1.356(18) . ?
C21 H21 0.9300 . ?
C21 C22 1.391(17) . ?
C22 C23 1.431(14) . ?
C22 C24 1.447(17) . ?
C24 H24 0.9300 . ?
C25 Eu2 2.901(10) 2_576 ?
C25 C26 1.494(14) . ?
C26 C27 1.370(15) . ?
C26 C31 1.455(14) . ?
C27 H27 0.9300 . ?
C27 C28 1.371(16) . ?
C28 H28 0.9300 . ?
C28 C29 1.360(17) . ?
C29 H29 0.9300 . ?
C29 C30 1.388(17) . ?
C30 C31 1.420(15) . ?
C30 C32 1.449(17) . ?
C32 H32 0.9300 . ?
C33 C34 1.526(14) . ?
C34 C35 1.377(15) . ?
C34 C39 1.408(15) . ?
C35 H35A 0.9300 . ?
C35 C36 1.373(17) . ?
C36 H36A 0.9300 . ?
C36 C37 1.368(18) . ?
C37 H37A 0.9300 . ?
C37 C38 1.398(16) . ?
C38 C39 1.410(16) . ?
C38 C40 1.416(19) . ?
C40 H40 0.9300 . ?
C41 C42 1.514(13) . ?
C42 C43 1.388(14) . ?
C42 C47 1.435(15) . ?
C43 H43 0.9300 . ?
C43 C44 1.389(15) . ?
C44 H44 0.9300 . ?
C44 C45 1.407(18) . ?
C45 H45 0.9300 . ?
C45 C46 1.373(16) . ?
C46 C47 1.428(14) . ?
C46 C48 1.439(18) . ?
C48 H48 0.9300 . ?
C52 H52 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9600 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9601 . ?
C54 H54B 0.9601 . ?
C54 H54C 0.9600 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9601 . ?
C65 H65C 0.9599 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9599 . ?
C66 H66C 0.9601 . ?
O27X C55X 1.15(2) . ?
O28 C58 1.181(18) . ?
O29X C61X 1.17(2) . ?
N3X C55X 1.36(2) . ?
N3X C56X 1.401(17) . ?
N3X C57X 1.401(17) . ?
N4 C58 1.33(2) . ?
N4 C59 1.442(15) . ?
N4 C60 1.443(16) . ?
N5X C61X 1.34(2) . ?
N5X C62X 1.490(19) . ?
N5X C63X 1.488(19) . ?
C49X H49X 0.9300 . ?
C50X H50A 0.9600 . ?
C50X H50B 0.9602 . ?
C50X H50C 0.9598 . ?
C50X H50F 0.9941 . ?
C51X H51A 0.9601 . ?
C51X H51B 0.9600 . ?
C51X H51C 0.9600 . ?
C55X H55X 0.9300 . ?
C56X H56A 0.9600 . ?
C56X H56B 0.9598 . ?
C56X H56C 0.9598 . ?
C56X H57D 0.5747 . ?
C56X H57E 0.9970 . ?
C57X H57A 0.9599 . ?
C57X H57B 0.9600 . ?
C57X H57C 0.9602 . ?
C58 H58 0.9300 . ?
C59 H59A 0.9599 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9601 . ?
C59 H59D 0.8277 . ?
C59 H59E 0.9466 . ?
C60 H60A 0.9605 . ?
C60 H60B 0.9596 . ?
C60 H60C 0.9602 . ?
C60 H60F 0.9660 . ?
C61X H61X 0.9300 . ?
C62X H62A 0.9601 . ?
C62X H62B 0.9601 . ?
C62X H62C 0.9601 . ?
C62X H63D 0.5254 . ?
C63X H63A 0.9598 . ?
C63X H63B 0.9604 . ?
C63X H63C 0.9599 . ?
C67 H67 0.9300 . ?
C68 H68A 0.9601 . ?
C68 H68B 0.9597 . ?
C68 H68C 0.9600 . ?
C69 H69A 0.9599 . ?
C69 H69B 0.9602 . ?
C69 H69C 0.9600 . ?
O27 C55 1.155(19) . ?
O28X C58X 1.178(18) . ?
O29 C61 1.17(2) . ?
N3 C55 1.36(2) . ?
N3 C56 1.399(16) . ?
N3 C57 1.400(16) . ?
N4X C58X 1.33(2) . ?
N4X C59X 1.443(15) . ?
N4X C60X 1.442(16) . ?
N5 C61 1.34(2) . ?
N5 C62 1.487(18) . ?
N5 C63 1.487(18) . ?
C49 H49 0.9300 . ?
C50 H50D 0.9599 . ?
C50 H50E 0.9599 . ?
C50 H50F 0.9601 . ?
C51 H51D 0.9600 . ?
C51 H51E 0.9604 . ?
C51 H51F 0.9599 . ?
C55 H55 0.9300 . ?
C56 H57B 0.3146 . ?
C56 H56D 0.9602 . ?
C56 H56E 0.9599 . ?
C56 H56F 0.9603 . ?
C57 H56C 0.8890 . ?
C57 H57D 0.9599 . ?
C57 H57E 0.9601 . ?
C57 H57F 0.9598 . ?
C58X H58X 0.9300 . ?
C59X H59C 0.7788 . ?
C59X H59D 0.9602 . ?
C59X H59E 0.9598 . ?
C59X H59F 0.9600 . ?
C60X H60A 0.9722 . ?
C60X H60D 0.9600 . ?
C60X H60E 0.9599 . ?
C60X H60F 0.9600 . ?
C61 H61 0.9300 . ?
C62 H63A 0.9874 . ?
C62 H63C 0.6797 . ?
C62 H62D 0.9601 . ?
C62 H62E 0.9599 . ?
C62 H62F 0.9598 . ?
C63 H63D 0.9597 . ?
C63 H63E 0.9600 . ?
C63 H63F 0.9600 . ?
C68X H68D 0.9602 . ?
C68X H68E 0.9599 . ?
C68X H68F 0.9600 . ?
C69X H69D 0.9600 . ?
C69X H69E 0.9598 . ?
C69X H69F 0.9601 . ?
N8 C70 1.30(3) . ?
N8 C71 1.40(2) . ?
N8 C72 1.41(2) . ?
N8 C70X 1.31(3) . ?
N8 C71X 1.41(2) . ?
N8 C72X 1.40(2) . ?
O32 C70 1.207(8) . ?
C70 H70 0.9300 . ?
C71 H71A 0.9601 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C71 H71D 0.9582 . ?
C71 H71E 1.0076 . ?
C72 H72A 0.9599 . ?
C72 H72B 0.9600 . ?
C72 H72C 0.9600 . ?
C72 H72D 1.2947 . ?
C72 H72E 0.7359 . ?
O32X C70X 1.210(8) . ?
C70X H70X 0.9300 . ?
C71X H71B 0.8652 . ?
C71X H71D 0.9598 . ?
C71X H71E 0.9600 . ?
C71X H71F 0.9601 . ?
C72X H72C 0.5996 . ?
C72X H72D 0.9599 . ?
C72X H72E 0.9600 . ?
C72X H72F 0.9601 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Eu1 O6 121.2(2) . . ?
O3 Eu1 O2 69.8(2) . . ?
O3 Eu1 O6 146.0(2) . . ?
O3 Eu1 O21 75.8(3) . . ?
O3 Eu1 O25 83.8(3) . . ?
O3 Eu1 O26 113.1(3) . . ?
O3 Eu1 O33 139.6(2) . . ?
O3 Eu1 O34 91.2(2) . . ?
O21 Eu1 O2 132.8(2) . . ?
O21 Eu1 O6 74.9(2) . . ?
O21 Eu1 O25 134.5(3) . . ?
O21 Eu1 O33 137.6(2) . . ?
O21 Eu1 O34 84.0(2) . . ?
O25 Eu1 O2 72.6(3) . . ?
O25 Eu1 O6 129.6(3) . . ?
O26 Eu1 O2 144.8(3) . . ?
O26 Eu1 O6 77.2(2) . . ?
O26 Eu1 O21 78.5(3) . . ?
O26 Eu1 O25 72.9(3) . . ?
O26 Eu1 O33 98.4(2) . . ?
O26 Eu1 O34 145.0(2) . . ?
O33 Eu1 O2 69.9(2) . . ?
O33 Eu1 O6 63.4(2) . . ?
O33 Eu1 O25 81.9(3) . . ?
O33 Eu1 O34 74.8(2) . . ?
O34 Eu1 O2 65.9(2) . . ?
O34 Eu1 O6 69.1(2) . . ?
O34 Eu1 O25 137.2(2) . . ?
O2 Eu2 O13 72.3(2) . 2_576 ?
O2 Eu2 O14 91.7(2) . 2_576 ?
O2 Eu2 O18 132.6(2) . 2_576 ?
O2 Eu2 C25 84.0(3) . 2_576 ?
O13 Eu2 C25 25.3(2) 2_576 2_576 ?
O14 Eu2 O13 51.7(2) 2_576 2_576 ?
O14 Eu2 C25 26.8(2) 2_576 2_576 ?
O18 Eu2 O13 71.6(2) 2_576 2_576 ?
O18 Eu2 O14 89.4(2) 2_576 2_576 ?
O18 Eu2 C25 76.2(3) 2_576 2_576 ?
O33 Eu2 O2 69.2(2) . . ?
O33 Eu2 O13 69.9(2) . 2_576 ?
O33 Eu2 O14 121.5(2) . 2_576 ?
O33 Eu2 O18 70.3(2) . 2_576 ?
O33 Eu2 O34 73.0(2) . . ?
O33 Eu2 O35 74.3(2) . . ?
O33 Eu2 C25 94.9(3) . 2_576 ?
O34 Eu2 O2 64.7(2) . . ?
O34 Eu2 O13 130.6(2) . 2_576 ?
O34 Eu2 O14 147.1(2) . 2_576 ?
O34 Eu2 O18 123.4(2) . 2_576 ?
O34 Eu2 O35 65.9(2) . . ?
O34 Eu2 C25 148.6(2) . 2_576 ?
O35 Eu2 O2 124.8(2) . . ?
O35 Eu2 O13 129.7(2) . 2_576 ?
O35 Eu2 O14 143.2(2) . 2_576 ?
O35 Eu2 O18 63.6(2) . 2_576 ?
O35 Eu2 C25 139.7(2) . 2_576 ?
O36 Eu2 O2 76.9(2) . . ?
O36 Eu2 O13 113.0(2) . 2_576 ?
O36 Eu2 O14 71.9(2) . 2_576 ?
O36 Eu2 O18 146.5(2) . 2_576 ?
O36 Eu2 O33 143.3(2) . . ?
O36 Eu2 O34 80.3(2) . . ?
O36 Eu2 O35 117.0(2) . . ?
O36 Eu2 C25 95.1(3) . 2_576 ?
O37 Eu2 O2 144.6(2) 2_576 . ?
O37 Eu2 O13 113.3(2) 2_576 2_576 ?
O37 Eu2 O14 70.1(2) 2_576 2_576 ?
O37 Eu2 O18 78.9(2) 2_576 2_576 ?
O37 Eu2 O33 146.2(2) 2_576 . ?
O37 Eu2 O34 115.8(2) 2_576 . ?
O37 Eu2 O35 80.1(2) 2_576 . ?
O37 Eu2 O36 68.8(2) 2_576 . ?
O37 Eu2 C25 90.6(3) 2_576 2_576 ?
O7 Eu3 O6 70.8(2) . . ?
O7 Eu3 O9 80.8(3) . . ?
O7 Eu3 O18 152.7(3) . 2_576 ?
O7 Eu3 O33 98.1(2) . . ?
O7 Eu3 O35 138.7(2) . . ?
O7 Eu3 O27X 81.0(13) . . ?
O7 Eu3 O27 77.4(5) . . ?
O9 Eu3 O6 75.6(2) . . ?
O9 Eu3 O18 124.3(2) . 2_576 ?
O9 Eu3 O33 138.5(2) . . ?
O9 Eu3 O35 79.0(2) . . ?
O9 Eu3 O27X 140.8(14) . . ?
O9 Eu3 O27 144.3(5) . . ?
O18 Eu3 O6 122.1(2) 2_576 . ?
O19 Eu3 O6 152.5(3) 2_576 . ?
O19 Eu3 O7 110.0(3) 2_576 . ?
O19 Eu3 O9 77.5(3) 2_576 . ?
O19 Eu3 O18 70.4(2) 2_576 2_576 ?
O19 Eu3 O33 138.5(3) 2_576 . ?
O19 Eu3 O35 100.2(3) 2_576 . ?
O19 Eu3 O27X 76.6(12) 2_576 . ?
O19 Eu3 O27 83.9(4) 2_576 . ?
O33 Eu3 O6 65.3(2) . . ?
O33 Eu3 O18 70.8(2) . 2_576 ?
O33 Eu3 O35 75.1(2) . . ?
O33 Eu3 O27X 78.4(13) . . ?
O33 Eu3 O27 72.9(4) . . ?
O35 Eu3 O6 69.5(2) . . ?
O35 Eu3 O18 64.1(2) . 2_576 ?
O27X Eu3 O6 129.2(12) . . ?
O27X Eu3 O18 72.5(13) . 2_576 ?
O27X Eu3 O35 134.5(14) . . ?
O27 Eu3 O6 121.9(4) . . ?
O27 Eu3 O18 75.6(5) . 2_576 ?
O27 Eu3 O35 134.7(5) . . ?
O27 Eu3 O27X 7.3(14) . . ?
O5 Eu4 Eu2 146.57(16) . 2_576 ?
O5 Eu4 C9 25.0(3) . . ?
O6 Eu4 Eu2 162.30(15) . 2_576 ?
O6 Eu4 O5 51.1(2) . . ?
O6 Eu4 C9 26.3(3) . . ?
O10 Eu4 Eu2 96.56(15) . 2_576 ?
O10 Eu4 O5 72.6(2) . . ?
O10 Eu4 O6 90.0(2) . . ?
O10 Eu4 C9 77.9(2) . . ?
O22 Eu4 Eu2 96.64(15) . 2_576 ?
O22 Eu4 O5 71.2(2) . . ?
O22 Eu4 O6 91.1(2) . . ?
O22 Eu4 O10 132.0(2) . . ?
O22 Eu4 C9 82.3(2) . . ?
O34 Eu4 Eu2 94.42(15) . 2_576 ?
O34 Eu4 O5 112.3(2) . . ?
O34 Eu4 O6 71.6(2) . . ?
O34 Eu4 O10 146.3(2) . . ?
O34 Eu4 O22 77.8(2) . . ?
O34 Eu4 O35 68.6(2) . . ?
O34 Eu4 O36 116.1(2) . 2_576 ?
O34 Eu4 O37 79.8(2) . . ?
O34 Eu4 O38 144.3(2) . . ?
O34 Eu4 C9 94.0(3) . . ?
O35 Eu4 Eu2 94.57(14) . 2_576 ?
O35 Eu4 O5 113.3(2) . . ?
O35 Eu4 O6 70.5(2) . . ?
O35 Eu4 O10 78.8(2) . . ?
O35 Eu4 O22 145.3(2) . . ?
O35 Eu4 O36 80.0(2) . 2_576 ?
O35 Eu4 O37 115.7(2) . . ?
O35 Eu4 O38 145.1(2) . . ?
O35 Eu4 C9 91.2(3) . . ?
O36 Eu4 Eu2 33.61(15) 2_576 2_576 ?
O36 Eu4 O5 131.2(2) 2_576 . ?
O36 Eu4 O6 144.2(2) 2_576 . ?
O36 Eu4 O10 64.2(2) 2_576 . ?
O36 Eu4 O22 124.5(2) 2_576 . ?
O36 Eu4 C9 142.0(2) 2_576 . ?
O37 Eu4 Eu2 33.04(14) . 2_576 ?
O37 Eu4 O5 130.5(2) . . ?
O37 Eu4 O6 146.0(2) . . ?
O37 Eu4 O10 123.8(2) . . ?
O37 Eu4 O22 64.7(2) . . ?
O37 Eu4 O36 65.9(2) . 2_576 ?
O37 Eu4 C9 147.1(2) . . ?
O38 Eu4 Eu2 75.71(15) . 2_576 ?
O38 Eu4 O5 70.9(2) . . ?
O38 Eu4 O6 122.0(2) . . ?
O38 Eu4 O10 69.4(2) . . ?
O38 Eu4 O22 69.6(2) . . ?
O38 Eu4 O36 73.6(2) . 2_576 ?
O38 Eu4 O37 73.5(2) . . ?
O38 Eu4 C9 95.7(3) . . ?
C9 Eu4 Eu2 171.1(2) . 2_576 ?
O1 Eu5 Eu2 63.68(17) 2_576 2_576 ?
O1 Eu5 O10 124.3(2) 2_576 . ?
O1 Eu5 O14 76.8(2) 2_576 . ?
O1 Eu5 O36 78.1(2) 2_576 2_576 ?
O1 Eu5 O28 149.1(5) 2_576 . ?
O1 Eu5 O29X 74.7(8) 2_576 . ?
O1 Eu5 O28X 143.8(5) 2_576 . ?
O1 Eu5 O29 81.8(6) 2_576 . ?
O10 Eu5 Eu2 97.58(15) . 2_576 ?
O10 Eu5 O14 121.9(2) . . ?
O11 Eu5 Eu2 129.0(2) . 2_576 ?
O11 Eu5 O1 82.0(3) . 2_576 ?
O11 Eu5 O10 70.9(3) . . ?
O11 Eu5 O14 158.9(2) . . ?
O11 Eu5 O36 106.4(3) . 2_576 ?
O11 Eu5 O38 136.1(3) . . ?
O11 Eu5 O28 78.3(5) . . ?
O11 Eu5 O29X 94.6(7) . . ?
O11 Eu5 O28X 84.3(5) . . ?
O11 Eu5 O29 95.1(6) . . ?
O14 Eu5 Eu2 38.77(14) . 2_576 ?
O36 Eu5 Eu2 33.63(15) 2_576 2_576 ?
O36 Eu5 O10 65.2(2) 2_576 . ?
O36 Eu5 O14 69.4(2) 2_576 . ?
O36 Eu5 O28 130.4(5) 2_576 . ?
O36 Eu5 O28X 138.1(5) 2_576 . ?
O38 Eu5 Eu2 76.56(15) . 2_576 ?
O38 Eu5 O1 138.4(2) . 2_576 ?
O38 Eu5 O10 70.6(2) . . ?
O38 Eu5 O14 64.2(2) . . ?
O38 Eu5 O36 75.2(2) . 2_576 ?
O38 Eu5 O28 69.6(5) . . ?
O38 Eu5 O29X 110.2(7) . . ?
O38 Eu5 O28X 69.9(5) . . ?
O38 Eu5 O29 105.4(6) . . ?
O28 Eu5 Eu2 146.2(4) . 2_576 ?
O28 Eu5 O10 70.7(5) . . ?
O28 Eu5 O14 120.7(5) . . ?
O29X Eu5 Eu2 109.8(7) . 2_576 ?
O29X Eu5 O10 152.1(7) . . ?
O29X Eu5 O14 79.8(7) . . ?
O29X Eu5 O36 142.6(7) . 2_576 ?
O29X Eu5 O28 83.3(9) . . ?
O29X Eu5 O28X 73.3(9) . . ?
O28X Eu5 Eu2 144.8(4) . 2_576 ?
O28X Eu5 O10 81.5(5) . . ?
O28X Eu5 O14 113.1(5) . . ?
O28X Eu5 O28 11.2(6) . . ?
O29 Eu5 Eu2 114.4(6) . 2_576 ?
O29 Eu5 O10 146.2(6) . . ?
O29 Eu5 O14 81.9(6) . . ?
O29 Eu5 O36 147.9(6) . 2_576 ?
O29 Eu5 O28 76.5(7) . . ?
O29 Eu5 O29X 7.2(9) . . ?
O29 Eu5 O28X 66.3(7) . . ?
O14 Eu6 Eu2 38.21(15) . 2_576 ?
O15 Eu6 Eu2 105.20(17) . 2_576 ?
O15 Eu6 O14 71.1(2) . . ?
O15 Eu6 O17 82.8(3) . . ?
O15 Eu6 O22 152.0(2) . . ?
O15 Eu6 O30 77.2(3) . . ?
O15 Eu6 O37 138.5(2) . . ?
O15 Eu6 O38 98.4(2) . . ?
O17 Eu6 Eu2 63.49(16) . 2_576 ?
O17 Eu6 O14 75.8(2) . . ?
O17 Eu6 O22 122.9(2) . . ?
O17 Eu6 O30 144.6(3) . . ?
O17 Eu6 O37 77.8(2) . . ?
O22 Eu6 Eu2 97.04(14) . 2_576 ?
O22 Eu6 O14 122.3(2) . . ?
O23 Eu6 Eu2 126.0(2) . 2_576 ?
O23 Eu6 O14 156.1(2) . . ?
O23 Eu6 O15 108.6(3) . . ?
O23 Eu6 O17 80.4(3) . . ?
O23 Eu6 O22 69.5(2) . . ?
O23 Eu6 O30 78.8(3) . . ?
O23 Eu6 O37 103.9(3) . . ?
O23 Eu6 O38 135.9(2) . . ?
O30 Eu6 Eu2 150.2(2) . 2_576 ?
O30 Eu6 O14 123.0(2) . . ?
O30 Eu6 O22 75.1(2) . . ?
O30 Eu6 O37 135.1(2) . . ?
O37 Eu6 Eu2 33.32(14) . 2_576 ?
O37 Eu6 O14 68.7(2) . . ?
O37 Eu6 O22 64.8(2) . . ?
O38 Eu6 Eu2 76.38(15) . 2_576 ?
O38 Eu6 O14 65.7(2) . . ?
O38 Eu6 O17 138.4(2) . . ?
O38 Eu6 O22 70.3(2) . . ?
O38 Eu6 O30 73.9(2) . . ?
O38 Eu6 O37 74.2(2) . . ?
C1 O1 Eu5 134.7(6) . 2_576 ?
Eu1 O2 Eu2 93.6(2) . . ?
C1 O2 Eu1 137.3(6) . . ?
C1 O2 Eu2 126.2(6) . . ?
C7 O3 Eu1 141.9(7) . . ?
C9 O5 Eu4 92.8(6) . . ?
Eu3 O6 Eu1 107.8(2) . . ?
Eu4 O6 Eu1 99.0(2) . . ?
Eu4 O6 Eu3 103.4(2) . . ?
C9 O6 Eu1 125.8(6) . . ?
C9 O6 Eu3 119.9(6) . . ?
C9 O6 Eu4 93.8(6) . . ?
C15 O7 Eu3 139.6(7) . . ?
C17 O9 Eu3 141.1(6) . . ?
Eu5 O10 Eu4 93.5(2) . . ?
C17 O10 Eu4 127.3(6) . . ?
C17 O10 Eu5 138.8(7) . . ?
C23 O11 Eu5 142.9(7) . . ?
C25 O13 Eu2 93.9(6) . 2_576 ?
Eu2 O14 Eu5 100.7(2) 2_576 . ?
Eu2 O14 Eu6 103.5(2) 2_576 . ?
Eu6 O14 Eu5 105.6(2) . . ?
C25 O14 Eu2 92.4(5) . 2_576 ?
C25 O14 Eu5 129.3(6) . . ?
C25 O14 Eu6 118.6(6) . . ?
C31 O15 Eu6 138.5(6) . . ?
C33 O17 Eu6 140.5(6) . . ?
Eu3 O18 Eu2 94.0(2) 2_576 2_576 ?
C33 O18 Eu2 127.3(6) . 2_576 ?
C33 O18 Eu3 136.7(6) . 2_576 ?
C39 O19 Eu3 144.9(7) . 2_576 ?
C41 O21 Eu1 137.0(6) . . ?
Eu6 O22 Eu4 93.7(2) . . ?
C41 O22 Eu4 128.7(6) . . ?
C41 O22 Eu6 137.1(6) . . ?
C47 O23 Eu6 133.9(7) . . ?
C49X O25 Eu1 127.8(19) . . ?
C49 O25 Eu1 134(2) . . ?
C49 O25 C49X 59(2) . . ?
C52 O26 Eu1 155.5(8) . . ?
C64 O30 Eu6 141.8(9) . . ?
C67 O31 C67X 66.0(16) . . ?
Eu1 O33 Eu2 99.4(2) . . ?
Eu1 O33 Eu3 123.2(3) . . ?
Eu1 O33 H33 111.0 . . ?
Eu2 O33 H33 111.0 . . ?
Eu3 O33 Eu2 99.6(2) . . ?
Eu3 O33 H33 111.0 . . ?
Eu1 O34 Eu2 98.2(2) . . ?
Eu1 O34 H34 111.1 . . ?
Eu2 O34 H34 111.1 . . ?
Eu4 O34 Eu1 112.3(2) . . ?
Eu4 O34 Eu2 112.3(2) . . ?
Eu4 O34 H34 111.1 . . ?
Eu2 O35 H35 112.3 . . ?
Eu3 O35 Eu2 96.8(2) . . ?
Eu3 O35 H35 112.3 . . ?
Eu4 O35 Eu2 111.5(2) . . ?
Eu4 O35 Eu3 110.8(2) . . ?
Eu4 O35 H35 112.3 . . ?
Eu2 O36 Eu4 111.2(2) . 2_576 ?
Eu2 O36 Eu5 111.9(3) . 2_576 ?
Eu2 O36 H36 112.3 . . ?
Eu4 O36 H36 112.3 2_576 . ?
Eu5 O36 Eu4 95.8(2) 2_576 2_576 ?
Eu5 O36 H36 112.3 2_576 . ?
Eu2 O37 Eu4 112.6(2) 2_576 . ?
Eu2 O37 Eu6 112.0(3) 2_576 . ?
Eu2 O37 H37 111.7 2_576 . ?
Eu4 O37 H37 111.7 . . ?
Eu6 O37 Eu4 96.3(2) . . ?
Eu6 O37 H37 111.7 . . ?
Eu4 O38 H38 109.9 . . ?
Eu5 O38 Eu4 101.0(2) . . ?
Eu5 O38 Eu6 123.7(3) . . ?
Eu5 O38 H38 109.9 . . ?
Eu6 O38 Eu4 101.1(2) . . ?
Eu6 O38 H38 109.9 . . ?
C52 N1 C53 120.6(13) . . ?
C52 N1 C54 120.7(11) . . ?
C54 N1 C53 118.6(12) . . ?
C49X N2 C50X 121(3) . . ?
C49X N2 C51X 125(3) . . ?
C49X N2 C49 53(2) . . ?
C49X N2 C50 165(3) . . ?
C49X N2 C51 64(2) . . ?
C50X N2 C51X 113(2) . . ?
C50X N2 C50 48.3(19) . . ?
C51X N2 C50 65(2) . . ?
C49 N2 C50X 68(2) . . ?
C49 N2 C51X 172(2) . . ?
C49 N2 C50 116(3) . . ?
C49 N2 C51 117(3) . . ?
C51 N2 C50X 174(3) . . ?
C51 N2 C51X 63(2) . . ?
C51 N2 C50 128(3) . . ?
C64 N6 C65 120.9(14) . . ?
C64 N6 C66 120.4(11) . . ?
C66 N6 C65 118.6(13) . . ?
C67 N7 C68X 177.9(17) . . ?
C68 N7 C67 120.0(15) . . ?
C68 N7 C68X 60.9(13) . . ?
C69 N7 C67 117.2(16) . . ?
C69 N7 C68 122.1(15) . . ?
C69 N7 C67X 57.9(15) . . ?
C69 N7 C68X 62.4(14) . . ?
C69 N7 C69X 173.0(18) . . ?
C67X N7 C67 59.9(15) . . ?
C67X N7 C68 179.5(19) . . ?
C67X N7 C68X 119.3(15) . . ?
C67X N7 C69X 122.8(15) . . ?
C69X N7 C67 62.9(14) . . ?
C69X N7 C68 57.0(13) . . ?
C69X N7 C68X 117.8(15) . . ?
O1 C1 C2 117.6(9) . . ?
O2 C1 O1 121.4(9) . . ?
O2 C1 C2 121.0(8) . . ?
C3 C2 C1 118.2(9) . . ?
C3 C2 C7 119.3(10) . . ?
C7 C2 C1 122.0(9) . . ?
C2 C3 H3 118.7 . . ?
C2 C3 C4 122.6(11) . . ?
C4 C3 H3 118.7 . . ?
C3 C4 H4 120.8 . . ?
C5 C4 C3 118.5(11) . . ?
C5 C4 H4 120.8 . . ?
C4 C5 H5 118.8 . . ?
C4 C5 C6 122.3(11) . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C7 120.2(10) . . ?
C5 C6 C8 121.2(10) . . ?
C7 C6 C8 118.5(10) . . ?
O3 C7 C2 124.1(9) . . ?
O3 C7 C6 118.8(9) . . ?
C2 C7 C6 117.0(9) . . ?
O4 C8 C6 122.9(12) . . ?
O4 C8 H8 118.5 . . ?
C6 C8 H8 118.5 . . ?
O5 C9 Eu4 62.2(5) . . ?
O5 C9 O6 121.2(9) . . ?
O5 C9 C10 120.8(9) . . ?
O6 C9 Eu4 59.9(5) . . ?
O6 C9 C10 117.9(10) . . ?
C10 C9 Eu4 172.4(7) . . ?
C11 C10 C9 115.5(10) . . ?
C11 C10 C15 122.1(11) . . ?
C15 C10 C9 122.4(9) . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.1(12) . . ?
C12 C11 H11 120.0 . . ?
C11 C12 H12 121.0 . . ?
C13 C12 C11 118.0(12) . . ?
C13 C12 H12 121.0 . . ?
C12 C13 H13 118.6 . . ?
C12 C13 C14 122.9(12) . . ?
C14 C13 H13 118.6 . . ?
C13 C14 C15 119.9(12) . . ?
C13 C14 C16 120.0(11) . . ?
C16 C14 C15 120.0(11) . . ?
O7 C15 C10 123.3(10) . . ?
O7 C15 C14 119.8(10) . . ?
C10 C15 C14 116.9(10) . . ?
O8 C16 C14 125.9(13) . . ?
O8 C16 H16 117.0 . . ?
C14 C16 H16 117.0 . . ?
O9 C17 O10 122.9(10) . . ?
O9 C17 C18 118.7(9) . . ?
O10 C17 C18 118.4(10) . . ?
C19 C18 C17 116.8(11) . . ?
C19 C18 C23 118.4(10) . . ?
C23 C18 C17 124.8(10) . . ?
C18 C19 H19 118.8 . . ?
C18 C19 C20 122.4(13) . . ?
C20 C19 H19 118.8 . . ?
C19 C20 H20 119.8 . . ?
C21 C20 C19 120.3(13) . . ?
C21 C20 H20 119.8 . . ?
C20 C21 H21 119.7 . . ?
C20 C21 C22 120.7(11) . . ?
C22 C21 H21 119.7 . . ?
C21 C22 C23 120.8(11) . . ?
C21 C22 C24 121.3(11) . . ?
C23 C22 C24 117.9(10) . . ?
O11 C23 C18 122.8(9) . . ?
O11 C23 C22 119.8(10) . . ?
C22 C23 C18 117.4(10) . . ?
O12 C24 C22 124.6(12) . . ?
O12 C24 H24 117.7 . . ?
C22 C24 H24 117.7 . . ?
O13 C25 Eu2 60.8(5) . 2_576 ?
O13 C25 O14 120.1(9) . . ?
O13 C25 C26 120.4(10) . . ?
O14 C25 Eu2 60.8(5) . 2_576 ?
O14 C25 C26 119.4(9) . . ?
C26 C25 Eu2 170.2(7) . 2_576 ?
C27 C26 C25 117.8(9) . . ?
C27 C26 C31 120.3(10) . . ?
C31 C26 C25 121.9(10) . . ?
C26 C27 H27 119.5 . . ?
C26 C27 C28 121.0(11) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 119.7 . . ?
C29 C28 C27 120.6(11) . . ?
C29 C28 H28 119.7 . . ?
C28 C29 H29 119.3 . . ?
C28 C29 C30 121.4(11) . . ?
C30 C29 H29 119.3 . . ?
C29 C30 C31 120.2(11) . . ?
C29 C30 C32 122.0(11) . . ?
C31 C30 C32 117.8(11) . . ?
O15 C31 C26 122.9(10) . . ?
O15 C31 C30 120.8(10) . . ?
C30 C31 C26 116.3(10) . . ?
O16 C32 C30 123.9(13) . . ?
O16 C32 H32 118.0 . . ?
C30 C32 H32 118.0 . . ?
O17 C33 C34 118.1(8) . . ?
O18 C33 O17 120.5(9) . . ?
O18 C33 C34 121.4(9) . . ?
C35 C34 C33 115.5(10) . . ?
C35 C34 C39 121.2(10) . . ?
C39 C34 C33 123.3(9) . . ?
C34 C35 H35A 119.0 . . ?
C36 C35 C34 121.9(12) . . ?
C36 C35 H35A 119.0 . . ?
C35 C36 H36A 120.7 . . ?
C37 C36 C35 118.7(11) . . ?
C37 C36 H36A 120.7 . . ?
C36 C37 H37A 119.7 . . ?
C36 C37 C38 120.7(12) . . ?
C38 C37 H37A 119.7 . . ?
C37 C38 C39 121.5(12) . . ?
C37 C38 C40 119.2(12) . . ?
C39 C38 C40 119.3(11) . . ?
O19 C39 C34 123.1(10) . . ?
O19 C39 C38 120.9(10) . . ?
C34 C39 C38 116.0(10) . . ?
O20 C40 C38 125.5(15) . . ?
O20 C40 H40 117.3 . . ?
C38 C40 H40 117.3 . . ?
O21 C41 O22 123.5(9) . . ?
O21 C41 C42 118.5(8) . . ?
O22 C41 C42 117.9(9) . . ?
C43 C42 C41 116.9(9) . . ?
C43 C42 C47 120.2(9) . . ?
C47 C42 C41 122.9(8) . . ?
C42 C43 H43 118.5 . . ?
C42 C43 C44 122.9(11) . . ?
C44 C43 H43 118.5 . . ?
C43 C44 H44 121.9 . . ?
C43 C44 C45 116.3(11) . . ?
C45 C44 H44 121.9 . . ?
C44 C45 H45 118.3 . . ?
C46 C45 C44 123.5(11) . . ?
C46 C45 H45 118.3 . . ?
C45 C46 C47 120.1(11) . . ?
C45 C46 C48 122.0(11) . . ?
C47 C46 C48 117.9(10) . . ?
O23 C47 C42 123.6(9) . . ?
O23 C47 C46 119.5(10) . . ?
C46 C47 C42 116.9(9) . . ?
O24 C48 C46 124.7(13) . . ?
O24 C48 H48 117.6 . . ?
C46 C48 H48 117.6 . . ?
O26 C52 N1 123.7(12) . . ?
O26 C52 H52 118.1 . . ?
N1 C52 H52 118.1 . . ?
N1 C53 H53A 109.5 . . ?
N1 C53 H53B 109.5 . . ?
N1 C53 H53C 109.5 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N1 C54 H54A 109.7 . . ?
N1 C54 H54B 109.3 . . ?
N1 C54 H54C 109.4 . . ?
H54A C54 H54B 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O30 C64 N6 128.0(14) . . ?
O30 C64 H64 116.0 . . ?
N6 C64 H64 116.0 . . ?
N6 C65 H65A 108.2 . . ?
N6 C65 H65B 109.8 . . ?
N6 C65 H65C 110.4 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N6 C66 H66A 109.7 . . ?
N6 C66 H66B 108.7 . . ?
N6 C66 H66C 110.1 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C55X O27X Eu3 137(5) . . ?
C58 O28 Eu5 136.8(16) . . ?
C61X O29X Eu5 144(2) . . ?
C55X N3X C56X 115(6) . . ?
C55X N3X C57X 130(5) . . ?
C56X N3X C57X 112(6) . . ?
C58 N4 C59 125(2) . . ?
C58 N4 C60 119(2) . . ?
C59 N4 C60 115(2) . . ?
C61X N5X C62X 125(3) . . ?
C61X N5X C63X 114(3) . . ?
C61X N5X H63D 117.4 . . ?
C62X N5X H63D 20.5 . . ?
C63X N5X C62X 120(3) . . ?
C63X N5X H63D 127.6 . . ?
O25 C49X N2 123(4) . . ?
O25 C49X H49X 118.5 . . ?
O25 C49X H51F 146.0 . . ?
N2 C49X H49X 118.5 . . ?
N2 C49X H51F 88.0 . . ?
H49X C49X H51F 33.7 . . ?
N2 C50X H50A 110.8 . . ?
N2 C50X H50B 108.3 . . ?
N2 C50X H50C 109.4 . . ?
N2 C50X H50F 110.3 . . ?
H50A C50X H50B 109.5 . . ?
H50A C50X H50C 109.5 . . ?
H50A C50X H50F 51.6 . . ?
H50B C50X H50C 109.5 . . ?
H50B C50X H50F 60.7 . . ?
H50C C50X H50F 140.1 . . ?
N2 C51X H51A 108.2 . . ?
N2 C51X H51B 108.5 . . ?
N2 C51X H51C 111.7 . . ?
N2 C51X H50D 88.9 . . ?
N2 C51X H51E 93.6 . . ?
H51A C51X H51B 109.5 . . ?
H51A C51X H51C 109.5 . . ?
H51A C51X H50D 161.2 . . ?
H51A C51X H51E 22.0 . . ?
H51B C51X H51C 109.5 . . ?
H51B C51X H50D 55.9 . . ?
H51B C51X H51E 131.0 . . ?
H51C C51X H50D 69.6 . . ?
H51C C51X H51E 101.2 . . ?
H50D C51X H51E 170.7 . . ?
O27X C55X N3X 127(6) . . ?
O27X C55X H55X 116.3 . . ?
N3X C55X H55X 116.3 . . ?
N3X C56X H56A 112.4 . . ?
N3X C56X H56B 110.6 . . ?
N3X C56X H56C 105.2 . . ?
N3X C56X H57D 100.4 . . ?
N3X C56X H57E 77.2 . . ?
N3X C56X H57F 73.8 . . ?
H56A C56X H56B 109.5 . . ?
H56A C56X H56C 109.5 . . ?
H56A C56X H57D 28.6 . . ?
H56A C56X H57E 159.5 . . ?
H56A C56X H57F 121.2 . . ?
H56B C56X H56C 109.5 . . ?
H56B C56X H57D 137.1 . . ?
H56B C56X H57E 50.3 . . ?
H56B C56X H57F 122.9 . . ?
H56C C56X H57D 89.1 . . ?
H56C C56X H57E 83.9 . . ?
H56C C56X H57F 31.5 . . ?
H57D C56X H57E 171.7 . . ?
H57D C56X H57F 93.3 . . ?
H57E C56X H57F 78.4 . . ?
N3X C57X H57A 117.9 . . ?
N3X C57X H57B 85.0 . . ?
N3X C57X H57C 121.9 . . ?
N3X C57X H56E 137.8 . . ?
N3X C57X H57F 68.9 . . ?
H57A C57X H57B 109.5 . . ?
H57A C57X H57C 109.5 . . ?
H57A C57X H56E 65.6 . . ?
H57A C57X H57F 145.6 . . ?
H57B C57X H57C 109.5 . . ?
H57B C57X H56E 57.4 . . ?
H57B C57X H57F 104.6 . . ?
H57C C57X H56E 91.0 . . ?
H57C C57X H57F 53.1 . . ?
H56E C57X H57F 134.4 . . ?
O28 C58 N4 121(2) . . ?
O28 C58 H58 119.4 . . ?
N4 C58 H58 119.4 . . ?
N4 C59 H59A 109.2 . . ?
N4 C59 H59B 110.5 . . ?
N4 C59 H59C 108.7 . . ?
N4 C59 H59D 107.4 . . ?
N4 C59 H59E 106.8 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59A C59 H59D 88.8 . . ?
H59A C59 H59E 119.1 . . ?
H59B C59 H59C 109.5 . . ?
H59B C59 H59D 128.6 . . ?
H59B C59 H59E 9.7 . . ?
H59C C59 H59D 23.3 . . ?
H59C C59 H59E 103.0 . . ?
H59D C59 H59E 124.0 . . ?
N4 C60 H60A 110.4 . . ?
N4 C60 H60B 110.1 . . ?
N4 C60 H60C 107.9 . . ?
N4 C60 H60E 110.1 . . ?
N4 C60 H60F 120.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.4 . . ?
H60A C60 H60E 91.7 . . ?
H60A C60 H60F 10.7 . . ?
H60B C60 H60C 109.5 . . ?
H60B C60 H60E 19.9 . . ?
H60B C60 H60F 101.2 . . ?
H60C C60 H60E 125.8 . . ?
H60C C60 H60F 107.2 . . ?
H60E C60 H60F 84.7 . . ?
O29X C61X N5X 132(3) . . ?
O29X C61X H61X 113.9 . . ?
N5X C61X H61X 113.9 . . ?
N5X C62X H62A 112.4 . . ?
N5X C62X H62B 109.5 . . ?
N5X C62X H62C 106.5 . . ?
N5X C62X H63D 75.9 . . ?
N5X C62X H63E 81.9 . . ?
H62A C62X H62B 109.5 . . ?
H62A C62X H62C 109.5 . . ?
H62A C62X H63D 93.4 . . ?
H62A C62X H63E 143.0 . . ?
H62B C62X H62C 109.4 . . ?
H62B C62X H63D 151.1 . . ?
H62B C62X H63E 35.5 . . ?
H62C C62X H63D 44.0 . . ?
H62C C62X H63E 97.7 . . ?
H63D C62X H63E 123.6 . . ?
N5X C63X H63A 110.7 . . ?
N5X C63X H63B 105.0 . . ?
N5X C63X H63C 112.6 . . ?
N5X C63X H62D 140.0 . . ?
N5X C63X H62E 144.1 . . ?
H63A C63X H63B 109.5 . . ?
H63A C63X H63C 109.5 . . ?
H63A C63X H62D 29.8 . . ?
H63A C63X H62E 104.1 . . ?
H63B C63X H63C 109.5 . . ?
H63B C63X H62D 99.3 . . ?
H63B C63X H62E 70.0 . . ?
H63C C63X H62D 87.9 . . ?
H63C C63X H62E 44.7 . . ?
H62D C63X H62E 74.3 . . ?
O31 C67 N7 112.7(18) . . ?
O31 C67 H67 123.7 . . ?
O31 C67 H69D 149.1 . . ?
N7 C67 H67 123.7 . . ?
N7 C67 H69D 92.1 . . ?
H67 C67 H69D 36.2 . . ?
N7 C68 H68A 110.1 . . ?
N7 C68 H68B 111.0 . . ?
N7 C68 H68C 107.3 . . ?
N7 C68 H68E 91.1 . . ?
N7 C68 H69E 99.1 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68A C68 H68E 68.4 . . ?
H68A C68 H69E 65.4 . . ?
H68B C68 H68C 109.5 . . ?
H68B C68 H68E 56.3 . . ?
H68B C68 H69E 148.8 . . ?
H68C C68 H68E 160.6 . . ?
H68C C68 H69E 51.2 . . ?
H68E C68 H69E 133.4 . . ?
N7 C69 H69A 110.2 . . ?
N7 C69 H69B 110.7 . . ?
N7 C69 H69C 107.5 . . ?
N7 C69 H68F 107.4 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69A C69 H68F 126.8 . . ?
H69B C69 H69C 109.5 . . ?
H69B C69 H68F 19.6 . . ?
H69C C69 H68F 93.0 . . ?
C55 O27 Eu3 142.2(16) . . ?
C58X O28X Eu5 140.1(17) . . ?
C61 O29 Eu5 142(2) . . ?
C55 N3 H57B 131.2 . . ?
C55 N3 C56 118.5(17) . . ?
C55 N3 C57 125.7(19) . . ?
C56 N3 H57B 13.0 . . ?
C56 N3 C57 115.7(19) . . ?
C57 N3 H57B 102.8 . . ?
C58X N4X C59X 125(2) . . ?
C58X N4X C60X 116(2) . . ?
C60X N4X C59X 118(2) . . ?
H63A N5 H63C 66.3 . . ?
C61 N5 H63A 127.8 . . ?
C61 N5 H63C 103.1 . . ?
C61 N5 C62 115(2) . . ?
C61 N5 C63 119(2) . . ?
C62 N5 H63A 39.8 . . ?
C62 N5 H63C 26.7 . . ?
C63 N5 H63A 101.4 . . ?
C63 N5 H63C 131.2 . . ?
C63 N5 C62 126(2) . . ?
O25 C49 N2 125(4) . . ?
O25 C49 H50C 138.7 . . ?
O25 C49 H49 117.7 . . ?
N2 C49 H50C 90.9 . . ?
N2 C49 H49 117.7 . . ?
H50C C49 H49 34.5 . . ?
N2 C50 H50A 81.2 . . ?
N2 C50 H50B 102.2 . . ?
N2 C50 H51B 87.5 . . ?
N2 C50 H50D 110.9 . . ?
N2 C50 H50E 109.1 . . ?
N2 C50 H50F 108.4 . . ?
H50A C50 H50B 71.1 . . ?
H50A C50 H51B 163.0 . . ?
H50A C50 H50D 115.8 . . ?
H50A C50 H50E 125.8 . . ?
H50A C50 H50F 27.8 . . ?
H50B C50 H51B 124.1 . . ?
H50B C50 H50D 146.8 . . ?
H50B C50 H50E 54.7 . . ?
H50B C50 H50F 60.4 . . ?
H51B C50 H50D 56.7 . . ?
H51B C50 H50E 70.0 . . ?
H51B C50 H50F 162.6 . . ?
H50D C50 H50E 109.5 . . ?
H50D C50 H50F 109.5 . . ?
H50E C50 H50F 109.5 . . ?
N2 C51 H51A 99.5 . . ?
N2 C51 H51D 107.3 . . ?
N2 C51 H51E 110.5 . . ?
N2 C51 H51F 110.6 . . ?
H51A C51 H51D 106.1 . . ?
H51A C51 H51E 14.0 . . ?
H51A C51 H51F 122.7 . . ?
H51D C51 H51E 109.5 . . ?
H51D C51 H51F 109.5 . . ?
H51E C51 H51F 109.4 . . ?
O27 C55 N3 125(2) . . ?
O27 C55 H55 117.7 . . ?
N3 C55 H55 117.7 . . ?
H57A C56 H57B 84.8 . . ?
H57A C56 H56D 143.2 . . ?
H57A C56 H56E 42.4 . . ?
H57A C56 H56F 103.8 . . ?
H57B C56 H56D 63.4 . . ?
H57B C56 H56E 79.0 . . ?
H57B C56 H56F 170.9 . . ?
N3 C56 H57A 78.2 . . ?
N3 C56 H57B 73.0 . . ?
N3 C56 H56D 107.0 . . ?
N3 C56 H56E 115.9 . . ?
N3 C56 H56F 105.3 . . ?
H56D C56 H56E 109.5 . . ?
H56D C56 H56F 109.4 . . ?
H56E C56 H56F 109.5 . . ?
H56A C57 H56B 67.0 . . ?
H56A C57 H56C 79.7 . . ?
H56A C57 H57D 8.7 . . ?
H56A C57 H57E 103.5 . . ?
H56A C57 H57F 118.0 . . ?
H56B C57 H56C 84.6 . . ?
H56B C57 H57D 73.3 . . ?
H56B C57 H57E 36.5 . . ?
H56B C57 H57F 127.9 . . ?
H56C C57 H57D 73.8 . . ?
H56C C57 H57E 90.0 . . ?
H56C C57 H57F 50.2 . . ?
N3 C57 H56A 108.6 . . ?
N3 C57 H56B 118.0 . . ?
N3 C57 H56C 157.4 . . ?
N3 C57 H57D 111.6 . . ?
N3 C57 H57E 107.7 . . ?
N3 C57 H57F 109.1 . . ?
H57D C57 H57E 109.5 . . ?
H57D C57 H57F 109.5 . . ?
H57E C57 H57F 109.5 . . ?
O28X C58X N4X 121(2) . . ?
O28X C58X H58X 119.6 . . ?
N4X C58X H58X 119.6 . . ?
H59B C59X H59C 113.7 . . ?
H59B C59X H59D 104.0 . . ?
H59B C59X H59E 5.9 . . ?
H59B C59X H59F 114.1 . . ?
H59C C59X H59D 22.5 . . ?
H59C C59X H59E 117.9 . . ?
H59C C59X H59F 87.0 . . ?
N4X C59X H59B 110.3 . . ?
N4X C59X H59C 120.2 . . ?
N4X C59X H59D 109.1 . . ?
N4X C59X H59E 109.6 . . ?
N4X C59X H59F 109.7 . . ?
H59D C59X H59E 109.5 . . ?
H59D C59X H59F 109.5 . . ?
H59E C59X H59F 109.5 . . ?
H60A C60X H60B 98.8 . . ?
H60A C60X H60D 109.2 . . ?
H60A C60X H60E 118.5 . . ?
H60A C60X H60F 10.7 . . ?
H60B C60X H60D 138.8 . . ?
H60B C60X H60E 29.4 . . ?
H60B C60X H60F 92.8 . . ?
N4X C60X H60A 99.1 . . ?
N4X C60X H60B 93.5 . . ?
N4X C60X H60D 110.5 . . ?
N4X C60X H60E 109.6 . . ?
N4X C60X H60F 108.4 . . ?
H60D C60X H60E 109.5 . . ?
H60D C60X H60F 109.5 . . ?
H60E C60X H60F 109.5 . . ?
O29 C61 N5 124(3) . . ?
O29 C61 H61 117.9 . . ?
N5 C61 H61 117.9 . . ?
H63A C62 H63B 74.9 . . ?
H63A C62 H63C 139.5 . . ?
H63A C62 H62D 42.7 . . ?
H63A C62 H62E 126.2 . . ?
H63A C62 H62F 122.6 . . ?
H63B C62 H63C 82.7 . . ?
H63B C62 H62D 90.3 . . ?
H63B C62 H62E 57.6 . . ?
H63B C62 H62F 159.8 . . ?
H63C C62 H62D 170.6 . . ?
H63C C62 H62E 61.5 . . ?
H63C C62 H62F 77.2 . . ?
N5 C62 H63A 65.7 . . ?
N5 C62 H63B 64.7 . . ?
N5 C62 H63C 74.3 . . ?
N5 C62 H62D 108.4 . . ?
N5 C62 H62E 109.1 . . ?
N5 C62 H62F 111.0 . . ?
H62D C62 H62E 109.5 . . ?
H62D C62 H62F 109.5 . . ?
H62E C62 H62F 109.5 . . ?
H62B C63 H62C 80.2 . . ?
H62B C63 H63D 77.6 . . ?
H62B C63 H63E 32.0 . . ?
H62B C63 H63F 123.9 . . ?
H62C C63 H63D 37.5 . . ?
H62C C63 H63E 104.2 . . ?
H62C C63 H63F 77.1 . . ?
N5 C63 H62B 121.0 . . ?
N5 C63 H62C 142.4 . . ?
N5 C63 H63D 112.0 . . ?
N5 C63 H63E 108.6 . . ?
N5 C63 H63F 107.8 . . ?
H63D C63 H63E 109.5 . . ?
H63D C63 H63F 109.5 . . ?
H63E C63 H63F 109.5 . . ?
O31 C67X N7 121(2) . . ?
O31 C67X H69A 135.7 . . ?
O31 C67X H67X 119.3 . . ?
N7 C67X H69A 100.0 . . ?
N7 C67X H67X 119.3 . . ?
H69A C67X H67X 24.7 . . ?
N7 C68X H68B 93.7 . . ?
N7 C68X H69B 91.7 . . ?
N7 C68X H68D 109.5 . . ?
N7 C68X H68E 109.3 . . ?
N7 C68X H68F 109.6 . . ?
H68B C68X H69B 157.4 . . ?
H68B C68X H68D 57.9 . . ?
H68B C68X H68E 63.1 . . ?
H68B C68X H68F 156.6 . . ?
H69B C68X H68D 99.7 . . ?
H69B C68X H68E 134.8 . . ?
H69B C68X H68F 26.0 . . ?
H68D C68X H68E 109.5 . . ?
H68D C68X H68F 109.5 . . ?
H68E C68X H68F 109.5 . . ?
N7 C69X H68C 100.2 . . ?
N7 C69X H69D 109.6 . . ?
N7 C69X H69E 109.5 . . ?
N7 C69X H69F 109.3 . . ?
H68C C69X H69D 149.4 . . ?
H68C C69X H69E 51.9 . . ?
H68C C69X H69F 64.9 . . ?
H69D C69X H69E 109.5 . . ?
H69D C69X H69F 109.5 . . ?
H69E C69X H69F 109.5 . . ?
C70 N8 C71 106(4) . . ?
C70 N8 C72 138(4) . . ?
C70 N8 C70X 25(5) . . ?
C70 N8 C71X 129(4) . . ?
C70 N8 C72X 105(4) . . ?
C71 N8 C72 116(4) . . ?
C71 N8 C71X 32(3) . . ?
C71 N8 C72X 146(4) . . ?
C70X N8 C71 97(4) . . ?
C70X N8 C72 143(4) . . ?
C70X N8 C71X 128(4) . . ?
C70X N8 C72X 116(4) . . ?
C71X N8 C72 88(4) . . ?
C72X N8 C72 33(3) . . ?
C72X N8 C71X 115(4) . . ?
N8 C70 H70 126.7 . . ?
O32 C70 N8 107(5) . . ?
O32 C70 H70 126.7 . . ?
N8 C71 H71A 110.2 . . ?
N8 C71 H71B 111.2 . . ?
N8 C71 H71C 107.0 . . ?
N8 C71 H71D 108.1 . . ?
N8 C71 H71E 107.4 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71A C71 H71D 120.1 . . ?
H71A C71 H71E 18.5 . . ?
H71B C71 H71C 109.5 . . ?
H71B C71 H71D 11.2 . . ?
H71B C71 H71E 94.6 . . ?
H71C C71 H71D 101.0 . . ?
H71C C71 H71E 126.4 . . ?
H71D C71 H71E 105.7 . . ?
N8 C72 H72A 108.5 . . ?
N8 C72 H72B 111.2 . . ?
N8 C72 H72C 108.7 . . ?
N8 C72 H72D 91.8 . . ?
N8 C72 H72E 130.9 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72A C72 H72D 60.0 . . ?
H72A C72 H72E 117.9 . . ?
H72B C72 H72C 109.5 . . ?
H72B C72 H72D 156.9 . . ?
H72B C72 H72E 68.6 . . ?
H72C C72 H72D 61.2 . . ?
H72C C72 H72E 41.4 . . ?
H72D C72 H72E 97.2 . . ?
N8 C70X H70X 111.7 . . ?
O32X C70X N8 137(6) . . ?
O32X C70X H70X 111.7 . . ?
N8 C71X H71A 99.9 . . ?
N8 C71X H71B 117.9 . . ?
N8 C71X H71D 107.8 . . ?
N8 C71X H71E 110.2 . . ?
N8 C71X H71F 110.4 . . ?
H71A C71X H71B 102.1 . . ?
H71A C71X H71D 104.5 . . ?
H71A C71X H71E 14.6 . . ?
H71A C71X H71F 123.7 . . ?
H71B C71X H71D 10.2 . . ?
H71B C71X H71E 104.7 . . ?
H71B C71X H71F 103.6 . . ?
H71D C71X H71E 109.5 . . ?
H71D C71X H71F 109.5 . . ?
H71E C71X H71F 109.4 . . ?
N8 C72X H72A 86.9 . . ?
N8 C72X H72C 149.0 . . ?
N8 C72X H72D 109.1 . . ?
N8 C72X H72E 111.5 . . ?
N8 C72X H72F 107.8 . . ?
H72A C72X H72C 93.2 . . ?
H72A C72X H72D 54.7 . . ?
H72A C72X H72E 72.8 . . ?
H72A C72X H72F 162.2 . . ?
H72C C72X H72D 95.9 . . ?
H72C C72X H72E 40.3 . . ?
H72C C72X H72F 79.5 . . ?
H72D C72X H72E 109.5 . . ?
H72D C72X H72F 109.5 . . ?
H72E C72X H72F 109.5 . . ?

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
Eu1 O2 C1 O1 174.9(6) . . . . ?
Eu1 O2 C1 C2 -5.2(16) . . . . ?
Eu1 O3 C7 C2 15.3(18) . . . . ?
Eu1 O3 C7 C6 -164.2(8) . . . . ?
Eu1 O6 C9 Eu4 104.0(6) . . . . ?
Eu1 O6 C9 O5 93.3(10) . . . . ?
Eu1 O6 C9 C10 -84.3(10) . . . . ?
Eu1 O21 C41 O22 44.3(15) . . . . ?
Eu1 O21 C41 C42 -133.9(8) . . . . ?
Eu1 O25 C49X N2 130(3) . . . . ?
Eu1 O25 C49 N2 -120(3) . . . . ?
Eu1 O26 C52 N1 -162.5(13) . . . . ?
Eu2 Eu4 O5 C9 173.8(5) 2_576 . . . ?
Eu2 Eu4 O6 Eu1 59.1(6) 2_576 . . . ?
Eu2 Eu4 O6 Eu3 -51.8(6) 2_576 . . . ?
Eu2 Eu4 O6 C9 -173.7(5) 2_576 . . . ?
Eu2 Eu4 O10 Eu5 -36.48(17) 2_576 . . . ?
Eu2 Eu4 O10 C17 137.6(7) 2_576 . . . ?
Eu2 Eu4 O22 Eu6 36.73(18) 2_576 . . . ?
Eu2 Eu4 O22 C41 -149.7(7) 2_576 . . . ?
Eu2 Eu4 O34 Eu1 167.3(2) 2_576 . . . ?
Eu2 Eu4 O34 Eu2 -83.1(2) 2_576 . . . ?
Eu2 Eu4 O35 Eu2 83.0(2) 2_576 . . . ?
Eu2 Eu4 O35 Eu3 -170.4(2) 2_576 . . . ?
Eu2 Eu4 O37 Eu6 117.0(4) 2_576 . . . ?
Eu2 Eu4 O38 Eu5 63.88(18) 2_576 . . . ?
Eu2 Eu4 O38 Eu6 -63.97(17) 2_576 . . . ?
Eu2 Eu4 C9 O5 -22.7(17) 2_576 . . . ?
Eu2 Eu4 C9 O6 167.6(9) 2_576 . . . ?
Eu2 Eu4 C9 C10 93(6) 2_576 . . . ?
Eu2 Eu5 O10 Eu4 36.79(17) 2_576 . . . ?
Eu2 Eu5 O10 C17 -136.0(9) 2_576 . . . ?
Eu2 Eu5 O11 C23 99.5(12) 2_576 . . . ?
Eu2 Eu5 O14 Eu6 -107.4(3) 2_576 . . . ?
Eu2 Eu5 O14 C25 102.1(8) 2_576 . . . ?
Eu2 Eu5 O38 Eu4 -64.07(17) 2_576 . . . ?
Eu2 Eu5 O38 Eu6 47.3(3) 2_576 . . . ?
Eu2 Eu5 O28 C58 164(3) 2_576 . . . ?
Eu2 Eu5 O29X C61X 54(5) 2_576 . . . ?
Eu2 Eu5 O28X C58X 164(3) 2_576 . . . ?
Eu2 Eu5 O29 C61 61(4) 2_576 . . . ?
Eu2 Eu6 O14 Eu5 105.3(3) 2_576 . . . ?
Eu2 Eu6 O14 C25 -100.4(7) 2_576 . . . ?
Eu2 Eu6 O15 C31 -9.5(11) 2_576 . . . ?
Eu2 Eu6 O17 C33 -46.5(9) 2_576 . . . ?
Eu2 Eu6 O22 Eu4 -36.92(18) 2_576 . . . ?
Eu2 Eu6 O22 C41 150.5(9) 2_576 . . . ?
Eu2 Eu6 O23 C47 -127.3(9) 2_576 . . . ?
Eu2 Eu6 O30 C64 -177.3(12) 2_576 . . . ?
Eu2 Eu6 O37 Eu4 -117.4(3) 2_576 . . . ?
Eu2 Eu6 O38 Eu4 64.05(17) 2_576 . . . ?
Eu2 Eu6 O38 Eu5 -47.3(3) 2_576 . . . ?
Eu2 O2 C1 O1 -30.0(14) . . . . ?
Eu2 O2 C1 C2 149.9(7) . . . . ?
Eu2 O13 C25 O14 -13.7(10) 2_576 . . . ?
Eu2 O13 C25 C26 168.8(9) 2_576 . . . ?
Eu2 O14 C25 O13 13.7(10) 2_576 . . . ?
Eu2 O14 C25 C26 -168.7(9) 2_576 . . . ?
Eu2 O18 C33 O17 -22.9(13) 2_576 . . . ?
Eu2 O18 C33 C34 156.0(7) 2_576 . . . ?
Eu2 C25 C26 C27 118(4) 2_576 . . . ?
Eu2 C25 C26 C31 -63(5) 2_576 . . . ?
Eu3 O6 C9 Eu4 -107.8(5) . . . . ?
Eu3 O6 C9 O5 -118.6(9) . . . . ?
Eu3 O6 C9 C10 63.8(10) . . . . ?
Eu3 O7 C15 C10 -2.5(19) . . . . ?
Eu3 O7 C15 C14 177.3(8) . . . . ?
Eu3 O9 C17 O10 -52.0(14) . . . . ?
Eu3 O9 C17 C18 128.5(9) . . . . ?
Eu3 O18 C33 O17 177.8(6) 2_576 . . . ?
Eu3 O18 C33 C34 -3.3(15) 2_576 . . . ?
Eu3 O19 C39 C34 2(2) 2_576 . . . ?
Eu3 O19 C39 C38 -176.0(9) 2_576 . . . ?
Eu3 O27X C55X N3X -143(8) . . . . ?
Eu3 O27 C55 N3 -159(2) . . . . ?
Eu4 O5 C9 O6 10.5(10) . . . . ?
Eu4 O5 C9 C10 -172.0(9) . . . . ?
Eu4 O6 C9 O5 -10.7(10) . . . . ?
Eu4 O6 C9 C10 171.7(8) . . . . ?
Eu4 O10 C17 O9 11.2(13) . . . . ?
Eu4 O10 C17 C18 -169.3(6) . . . . ?
Eu4 O22 C41 O21 5.0(14) . . . . ?
Eu4 O22 C41 C42 -176.8(6) . . . . ?
Eu4 C9 C10 C11 -140(6) . . . . ?
Eu4 C9 C10 C15 39(7) . . . . ?
Eu5 O1 C1 O2 71.0(14) 2_576 . . . ?
Eu5 O1 C1 C2 -108.9(10) 2_576 . . . ?
Eu5 O10 C17 O9 -177.9(6) . . . . ?
Eu5 O10 C17 C18 1.7(14) . . . . ?
Eu5 O11 C23 C18 -16.0(18) . . . . ?
Eu5 O11 C23 C22 166.2(8) . . . . ?
Eu5 O14 C25 Eu2 -105.9(6) . . . 2_576 ?
Eu5 O14 C25 O13 -92.3(11) . . . . ?
Eu5 O14 C25 C26 85.3(10) . . . . ?
Eu5 O28 C58 N4 179.5(18) . . . . ?
Eu5 O29X C61X N5X 180(3) . . . . ?
Eu5 O28X C58X N4X 175.6(18) . . . . ?
Eu5 O29 C61 N5 179(2) . . . . ?
Eu6 O14 C25 Eu2 106.8(5) . . . 2_576 ?
Eu6 O14 C25 O13 120.5(8) . . . . ?
Eu6 O14 C25 C26 -61.9(11) . . . . ?
Eu6 O15 C31 C26 6.0(17) . . . . ?
Eu6 O15 C31 C30 -171.8(8) . . . . ?
Eu6 O17 C33 O18 62.0(14) . . . . ?
Eu6 O17 C33 C34 -117.0(10) . . . . ?
Eu6 O22 C41 O21 175.6(6) . . . . ?
Eu6 O22 C41 C42 -6.2(14) . . . . ?
Eu6 O23 C47 C42 44.6(15) . . . . ?
Eu6 O23 C47 C46 -136.7(9) . . . . ?
Eu6 O30 C64 N6 -138.9(13) . . . . ?
O1 Eu5 O10 Eu4 100.0(3) 2_576 . . . ?
O1 Eu5 O10 C17 -72.8(9) 2_576 . . . ?
O1 Eu5 O11 C23 145.9(12) 2_576 . . . ?
O1 Eu5 O14 Eu2 -64.2(2) 2_576 . . 2_576 ?
O1 Eu5 O14 Eu6 -171.6(3) 2_576 . . . ?
O1 Eu5 O14 C25 38.0(7) 2_576 . . . ?
O1 Eu5 O38 Eu4 -81.1(4) 2_576 . . . ?
O1 Eu5 O38 Eu6 30.3(5) 2_576 . . . ?
O1 Eu5 O28 C58 3(3) 2_576 . . . ?
O1 Eu5 O29X C61X 0(4) 2_576 . . . ?
O1 Eu5 O28X C58X 35(3) 2_576 . . . ?
O1 Eu5 O29 C61 5(4) 2_576 . . . ?
O1 C1 C2 C3 -3.8(15) . . . . ?
O1 C1 C2 C7 168.8(10) . . . . ?
O2 Eu1 O3 C7 -21.1(11) . . . . ?
O2 Eu1 O6 Eu3 45.3(3) . . . . ?
O2 Eu1 O6 Eu4 -62.0(3) . . . . ?
O2 Eu1 O6 C9 -163.4(7) . . . . ?
O2 Eu1 O21 C41 33.2(11) . . . . ?
O2 Eu1 O25 C49X -20(3) . . . . ?
O2 Eu1 O25 C49 60(3) . . . . ?
O2 Eu1 O26 C52 134.1(18) . . . . ?
O2 Eu1 O33 Eu2 -40.3(2) . . . . ?
O2 Eu1 O33 Eu3 -148.4(4) . . . . ?
O2 Eu1 O34 Eu2 45.8(2) . . . . ?
O2 Eu1 O34 Eu4 164.1(3) . . . . ?
O2 Eu2 O33 Eu1 40.3(2) . . . . ?
O2 Eu2 O33 Eu3 166.5(3) . . . . ?
O2 Eu2 O34 Eu1 -46.2(2) . . . . ?
O2 Eu2 O34 Eu4 -164.5(3) . . . . ?
O2 Eu2 O35 Eu3 -77.5(3) . . . . ?
O2 Eu2 O35 Eu4 38.1(4) . . . . ?
O2 Eu2 O36 Eu4 -178.8(3) . . . 2_576 ?
O2 Eu2 O36 Eu5 75.4(3) . . . 2_576 ?
O2 C1 C2 C3 176.2(10) . . . . ?
O2 C1 C2 C7 -11.1(16) . . . . ?
O3 Eu1 O2 Eu2 -144.9(3) . . . . ?
O3 Eu1 O2 C1 15.2(9) . . . . ?
O3 Eu1 O6 Eu3 145.5(3) . . . . ?
O3 Eu1 O6 Eu4 38.1(4) . . . . ?
O3 Eu1 O6 C9 -63.3(9) . . . . ?
O3 Eu1 O21 C41 77.1(10) . . . . ?
O3 Eu1 O25 C49X -91(3) . . . . ?
O3 Eu1 O25 C49 -10(3) . . . . ?
O3 Eu1 O26 C52 46.7(19) . . . . ?
O3 Eu1 O33 Eu2 -44.3(5) . . . . ?
O3 Eu1 O33 Eu3 -152.4(3) . . . . ?
O3 Eu1 O34 Eu2 113.1(2) . . . . ?
O3 Eu1 O34 Eu4 -128.6(3) . . . . ?
O5 Eu4 O6 Eu1 -121.6(3) . . . . ?
O5 Eu4 O6 Eu3 127.6(3) . . . . ?
O5 Eu4 O6 C9 5.6(5) . . . . ?
O5 Eu4 O10 Eu5 111.1(2) . . . . ?
O5 Eu4 O10 C17 -74.8(7) . . . . ?
O5 Eu4 O22 Eu6 -111.3(3) . . . . ?
O5 Eu4 O22 C41 62.3(8) . . . . ?
O5 Eu4 O34 Eu1 7.8(3) . . . . ?
O5 Eu4 O34 Eu2 117.4(3) . . . . ?
O5 Eu4 O35 Eu2 -115.9(3) . . . . ?
O5 Eu4 O35 Eu3 -9.3(3) . . . . ?
O5 Eu4 O37 Eu2 -134.5(3) . . . 2_576 ?
O5 Eu4 O37 Eu6 -17.5(4) . . . . ?
O5 Eu4 O38 Eu5 -116.9(3) . . . . ?
O5 Eu4 O38 Eu6 115.3(3) . . . . ?
O5 Eu4 C9 O6 -169.7(10) . . . . ?
O5 Eu4 C9 C10 115(6) . . . . ?
O5 C9 C10 C11 -29.1(16) . . . . ?
O5 C9 C10 C15 150.0(11) . . . . ?
O6 Eu1 O2 Eu2 -0.8(3) . . . . ?
O6 Eu1 O2 C1 159.3(9) . . . . ?
O6 Eu1 O3 C7 -137.3(10) . . . . ?
O6 Eu1 O21 C41 -85.5(9) . . . . ?
O6 Eu1 O25 C49X 96(3) . . . . ?
O6 Eu1 O25 C49 177(3) . . . . ?
O6 Eu1 O26 C52 -99.1(19) . . . . ?
O6 Eu1 O33 Eu2 103.0(3) . . . . ?
O6 Eu1 O33 Eu3 -5.1(3) . . . . ?
O6 Eu1 O34 Eu2 -95.3(2) . . . . ?
O6 Eu1 O34 Eu4 23.0(2) . . . . ?
O6 Eu3 O7 C15 20.3(11) . . . . ?
O6 Eu3 O9 C17 82.5(10) . . . . ?
O6 Eu3 O33 Eu1 5.3(3) . . . . ?
O6 Eu3 O33 Eu2 -102.7(3) . . . . ?
O6 Eu3 O35 Eu2 96.7(2) . . . . ?
O6 Eu3 O35 Eu4 -19.5(2) . . . . ?
O6 Eu3 O27X C55X 11(10) . . . . ?
O6 Eu3 O27 C55 35(4) . . . . ?
O6 Eu4 O5 C9 -5.9(6) . . . . ?
O6 Eu4 O10 Eu5 160.0(2) . . . . ?
O6 Eu4 O10 C17 -26.0(7) . . . . ?
O6 Eu4 O22 Eu6 -159.2(2) . . . . ?
O6 Eu4 O22 C41 14.3(8) . . . . ?
O6 Eu4 O34 Eu1 -23.9(2) . . . . ?
O6 Eu4 O34 Eu2 85.8(3) . . . . ?
O6 Eu4 O35 Eu2 -87.2(3) . . . . ?
O6 Eu4 O35 Eu3 19.4(2) . . . . ?
O6 Eu4 O37 Eu2 147.7(3) . . . 2_576 ?
O6 Eu4 O37 Eu6 -95.4(4) . . . . ?
O6 Eu4 O38 Eu5 -115.3(2) . . . . ?
O6 Eu4 O38 Eu6 116.8(2) . . . . ?
O6 Eu4 C9 O5 169.7(10) . . . . ?
O6 Eu4 C9 C10 -75(6) . . . . ?
O6 C9 C10 C11 148.6(11) . . . . ?
O6 C9 C10 C15 -32.3(16) . . . . ?
O7 Eu3 O6 Eu1 104.7(3) . . . . ?
O7 Eu3 O6 Eu4 -151.0(3) . . . . ?
O7 Eu3 O6 C9 -48.6(7) . . . . ?
O7 Eu3 O9 C17 155.0(10) . . . . ?
O7 Eu3 O33 Eu1 -59.2(3) . . . . ?
O7 Eu3 O33 Eu2 -167.2(2) . . . . ?
O7 Eu3 O35 Eu2 113.1(4) . . . . ?
O7 Eu3 O35 Eu4 -3.1(5) . . . . ?
O7 Eu3 O27X C55X -45(9) . . . . ?
O7 Eu3 O27 C55 -23(4) . . . . ?
O9 Eu3 O6 Eu1 -170.1(3) . . . . ?
O9 Eu3 O6 Eu4 -65.9(2) . . . . ?
O9 Eu3 O6 C9 36.6(7) . . . . ?
O9 Eu3 O7 C15 -57.4(11) . . . . ?
O9 Eu3 O33 Eu1 26.0(5) . . . . ?
O9 Eu3 O33 Eu2 -81.9(4) . . . . ?
O9 Eu3 O35 Eu2 175.2(2) . . . . ?
O9 Eu3 O35 Eu4 59.1(3) . . . . ?
O9 Eu3 O27X C55X -109(9) . . . . ?
O9 Eu3 O27 C55 -76(4) . . . . ?
O9 C17 C18 C19 1.6(14) . . . . ?
O9 C17 C18 C23 -176.7(9) . . . . ?
O10 Eu4 O5 C9 98.7(6) . . . . ?
O10 Eu4 O6 Eu1 171.0(2) . . . . ?
O10 Eu4 O6 Eu3 60.2(2) . . . . ?
O10 Eu4 O6 C9 -61.8(5) . . . . ?
O10 Eu4 O22 Eu6 -68.3(3) . . . . ?
O10 Eu4 O22 C41 105.3(8) . . . . ?
O10 Eu4 O34 Eu1 -83.9(4) . . . . ?
O10 Eu4 O34 Eu2 25.7(5) . . . . ?
O10 Eu4 O35 Eu2 178.8(3) . . . . ?
O10 Eu4 O35 Eu3 -74.6(3) . . . . ?
O10 Eu4 O37 Eu2 -38.9(4) . . . 2_576 ?
O10 Eu4 O37 Eu6 78.1(3) . . . . ?
O10 Eu4 O38 Eu5 -38.9(2) . . . . ?
O10 Eu4 O38 Eu6 -166.8(3) . . . . ?
O10 Eu4 C9 O5 -74.7(6) . . . . ?
O10 Eu4 C9 O6 115.7(5) . . . . ?
O10 Eu4 C9 C10 41(6) . . . . ?
O10 Eu5 O11 C23 15.3(11) . . . . ?
O10 Eu5 O14 Eu2 58.2(3) . . . 2_576 ?
O10 Eu5 O14 Eu6 -49.2(3) . . . . ?
O10 Eu5 O14 C25 160.4(7) . . . . ?
O10 Eu5 O38 Eu4 39.1(2) . . . . ?
O10 Eu5 O38 Eu6 150.5(4) . . . . ?
O10 Eu5 O28 C58 -122(3) . . . . ?
O10 Eu5 O29X C61X -137(4) . . . . ?
O10 Eu5 O28X C58X -104(3) . . . . ?
O10 Eu5 O29 C61 -139(4) . . . . ?
O10 C17 C18 C19 -178.0(9) . . . . ?
O10 C17 C18 C23 3.8(15) . . . . ?
O11 Eu5 O10 Eu4 165.5(3) . . . . ?
O11 Eu5 O10 C17 -7.2(9) . . . . ?
O11 Eu5 O14 Eu2 -64.3(8) . . . 2_576 ?
O11 Eu5 O14 Eu6 -171.7(6) . . . . ?
O11 Eu5 O14 C25 37.8(11) . . . . ?
O11 Eu5 O38 Eu4 69.1(4) . . . . ?
O11 Eu5 O38 Eu6 -179.5(3) . . . . ?
O11 Eu5 O28 C58 -48(3) . . . . ?
O11 Eu5 O29X C61X -80(5) . . . . ?
O11 Eu5 O28X C58X -33(3) . . . . ?
O11 Eu5 O29 C61 -77(4) . . . . ?
O13 Eu2 O2 Eu1 -112.1(3) 2_576 . . . ?
O13 Eu2 O2 C1 84.5(8) 2_576 . . . ?
O13 Eu2 O33 Eu1 118.4(3) 2_576 . . . ?
O13 Eu2 O33 Eu3 -115.4(3) 2_576 . . . ?
O13 Eu2 O34 Eu1 -14.2(4) 2_576 . . . ?
O13 Eu2 O34 Eu4 -132.5(3) 2_576 . . . ?
O13 Eu2 O35 Eu3 18.0(3) 2_576 . . . ?
O13 Eu2 O35 Eu4 133.6(3) 2_576 . . . ?
O13 Eu2 O36 Eu4 117.2(3) 2_576 . . 2_576 ?
O13 Eu2 O36 Eu5 11.4(3) 2_576 . . 2_576 ?
O13 C25 C26 C27 23.7(16) . . . . ?
O13 C25 C26 C31 -157.3(10) . . . . ?
O14 Eu2 O2 Eu1 -160.8(2) 2_576 . . . ?
O14 Eu2 O2 C1 35.9(8) 2_576 . . . ?
O14 Eu2 O33 Eu1 118.9(2) 2_576 . . . ?
O14 Eu2 O33 Eu3 -114.9(2) 2_576 . . . ?
O14 Eu2 O34 Eu1 -93.9(4) 2_576 . . . ?
O14 Eu2 O34 Eu4 147.8(3) 2_576 . . . ?
O14 Eu2 O35 Eu3 94.4(3) 2_576 . . . ?
O14 Eu2 O35 Eu4 -150.1(3) 2_576 . . . ?
O14 Eu2 O36 Eu4 85.1(3) 2_576 . . 2_576 ?
O14 Eu2 O36 Eu5 -20.8(2) 2_576 . . 2_576 ?
O14 Eu5 O10 Eu4 4.3(3) . . . . ?
O14 Eu5 O10 C17 -168.5(8) . . . . ?
O14 Eu5 O11 C23 146.1(10) . . . . ?
O14 Eu5 O38 Eu4 -103.3(3) . . . . ?
O14 Eu5 O38 Eu6 8.1(3) . . . . ?
O14 Eu5 O28 C58 122(3) . . . . ?
O14 Eu5 O29X C61X 79(5) . . . . ?
O14 Eu5 O28X C58X 135(3) . . . . ?
O14 Eu5 O29 C61 82(4) . . . . ?
O14 Eu6 O15 C31 -26.9(10) . . . . ?
O14 Eu6 O17 C33 -85.3(10) . . . . ?
O14 Eu6 O22 Eu4 -6.1(3) . . . . ?
O14 Eu6 O22 C41 -178.7(8) . . . . ?
O14 Eu6 O23 C47 -168.1(8) . . . . ?
O14 Eu6 O30 C64 -136.0(14) . . . . ?
O14 Eu6 O37 Eu2 19.5(2) . . . 2_576 ?
O14 Eu6 O37 Eu4 -97.9(2) . . . . ?
O14 Eu6 O38 Eu4 103.0(3) . . . . ?
O14 Eu6 O38 Eu5 -8.3(3) . . . . ?
O14 C25 C26 C27 -153.9(10) . . . . ?
O14 C25 C26 C31 25.1(16) . . . . ?
O15 Eu6 O14 Eu2 152.1(3) . . . 2_576 ?
O15 Eu6 O14 Eu5 -102.5(3) . . . . ?
O15 Eu6 O14 C25 51.7(7) . . . . ?
O15 Eu6 O17 C33 -157.5(10) . . . . ?
O15 Eu6 O22 Eu4 105.8(5) . . . . ?
O15 Eu6 O22 C41 -66.8(11) . . . . ?
O15 Eu6 O23 C47 106.7(10) . . . . ?
O15 Eu6 O30 C64 -78.9(14) . . . . ?
O15 Eu6 O37 Eu2 4.2(5) . . . 2_576 ?
O15 Eu6 O37 Eu4 -113.2(3) . . . . ?
O15 Eu6 O38 Eu4 167.8(2) . . . . ?
O15 Eu6 O38 Eu5 56.4(3) . . . . ?
O17 Eu6 O14 Eu2 65.0(3) . . . 2_576 ?
O17 Eu6 O14 Eu5 170.3(3) . . . . ?
O17 Eu6 O14 C25 -35.4(7) . . . . ?
O17 Eu6 O15 C31 50.5(10) . . . . ?
O17 Eu6 O22 Eu4 -99.8(3) . . . . ?
O17 Eu6 O22 C41 87.6(9) . . . . ?
O17 Eu6 O23 C47 -174.3(10) . . . . ?
O17 Eu6 O30 C64 -21.7(16) . . . . ?
O17 Eu6 O37 Eu2 -59.8(3) . . . 2_576 ?
O17 Eu6 O37 Eu4 -177.3(3) . . . . ?
O17 Eu6 O38 Eu4 79.1(4) . . . . ?
O17 Eu6 O38 Eu5 -32.2(5) . . . . ?
O17 C33 C34 C35 -0.3(15) . . . . ?
O17 C33 C34 C39 176.9(10) . . . . ?
O18 Eu2 O2 Eu1 -70.1(3) 2_576 . . . ?
O18 Eu2 O2 C1 126.5(8) 2_576 . . . ?
O18 Eu2 O33 Eu1 -164.7(3) 2_576 . . . ?
O18 Eu2 O33 Eu3 -38.4(2) 2_576 . . . ?
O18 Eu2 O34 Eu1 79.7(3) 2_576 . . . ?
O18 Eu2 O34 Eu4 -38.6(3) 2_576 . . . ?
O18 Eu2 O35 Eu3 47.7(2) 2_576 . . . ?
O18 Eu2 O35 Eu4 163.2(3) 2_576 . . . ?
O18 Eu2 O36 Eu4 26.1(5) 2_576 . . 2_576 ?
O18 Eu2 O36 Eu5 -79.7(4) 2_576 . . 2_576 ?
O18 Eu3 O6 Eu1 -48.5(3) 2_576 . . . ?
O18 Eu3 O6 Eu4 55.8(3) 2_576 . . . ?
O18 Eu3 O6 C9 158.3(7) 2_576 . . . ?
O18 Eu3 O7 C15 143.8(10) 2_576 . . . ?
O18 Eu3 O9 C17 -36.7(11) 2_576 . . . ?
O18 Eu3 O33 Eu1 146.5(4) 2_576 . . . ?
O18 Eu3 O33 Eu2 38.5(2) 2_576 . . . ?
O18 Eu3 O35 Eu2 -47.7(2) 2_576 . . . ?
O18 Eu3 O35 Eu4 -163.8(3) 2_576 . . . ?
O18 Eu3 O27X C55X 128(10) 2_576 . . . ?
O18 Eu3 O27 C55 154(4) 2_576 . . . ?
O18 C33 C34 C35 -179.3(10) . . . . ?
O18 C33 C34 C39 -2.1(16) . . . . ?
O19 Eu3 O6 Eu1 -158.7(5) 2_576 . . . ?
O19 Eu3 O6 Eu4 -54.4(6) 2_576 . . . ?
O19 Eu3 O6 C9 48.1(9) 2_576 . . . ?
O19 Eu3 O7 C15 -130.4(11) 2_576 . . . ?
O19 Eu3 O9 C17 -92.1(10) 2_576 . . . ?
O19 Eu3 O33 Eu1 167.8(4) 2_576 . . . ?
O19 Eu3 O33 Eu2 59.8(5) 2_576 . . . ?
O19 Eu3 O35 Eu2 -109.8(3) 2_576 . . . ?
O19 Eu3 O35 Eu4 134.0(3) 2_576 . . . ?
O19 Eu3 O27X C55X -159(10) 2_576 . . . ?
O19 Eu3 O27 C55 -135(4) 2_576 . . . ?
O21 Eu1 O2 Eu2 -99.2(3) . . . . ?
O21 Eu1 O2 C1 60.9(10) . . . . ?
O21 Eu1 O3 C7 -168.3(11) . . . . ?
O21 Eu1 O6 Eu3 176.6(3) . . . . ?
O21 Eu1 O6 Eu4 69.2(2) . . . . ?
O21 Eu1 O6 C9 -32.2(8) . . . . ?
O21 Eu1 O25 C49X -154(3) . . . . ?
O21 Eu1 O25 C49 -73(3) . . . . ?
O21 Eu1 O26 C52 -22.2(19) . . . . ?
O21 Eu1 O33 Eu2 92.0(4) . . . . ?
O21 Eu1 O33 Eu3 -16.1(5) . . . . ?
O21 Eu1 O34 Eu2 -171.4(3) . . . . ?
O21 Eu1 O34 Eu4 -53.1(3) . . . . ?
O21 C41 C42 C43 -17.0(14) . . . . ?
O21 C41 C42 C47 165.1(9) . . . . ?
O22 Eu4 O5 C9 -113.3(6) . . . . ?
O22 Eu4 O6 Eu1 -57.0(2) . . . . ?
O22 Eu4 O6 Eu3 -167.9(2) . . . . ?
O22 Eu4 O6 C9 70.2(6) . . . . ?
O22 Eu4 O10 Eu5 68.6(3) . . . . ?
O22 Eu4 O10 C17 -117.4(7) . . . . ?
O22 Eu4 O34 Eu1 71.4(3) . . . . ?
O22 Eu4 O34 Eu2 -179.0(3) . . . . ?
O22 Eu4 O35 Eu2 -25.6(5) . . . . ?
O22 Eu4 O35 Eu3 81.0(4) . . . . ?
O22 Eu4 O37 Eu2 -163.9(3) . . . 2_576 ?
O22 Eu4 O37 Eu6 -46.9(2) . . . . ?
O22 Eu4 O38 Eu5 166.7(3) . . . . ?
O22 Eu4 O38 Eu6 38.9(2) . . . . ?
O22 Eu4 C9 O5 61.3(6) . . . . ?
O22 Eu4 C9 O6 -108.4(5) . . . . ?
O22 Eu4 C9 C10 177(6) . . . . ?
O22 Eu6 O14 Eu2 -55.3(3) . . . 2_576 ?
O22 Eu6 O14 Eu5 50.1(3) . . . . ?
O22 Eu6 O14 C25 -155.7(6) . . . . ?
O22 Eu6 O15 C31 -151.0(9) . . . . ?
O22 Eu6 O17 C33 34.3(10) . . . . ?
O22 Eu6 O23 C47 -43.6(9) . . . . ?
O22 Eu6 O30 C64 104.9(14) . . . . ?
O22 Eu6 O37 Eu2 164.4(3) . . . 2_576 ?
O22 Eu6 O37 Eu4 46.9(2) . . . . ?
O22 Eu6 O38 Eu4 -38.7(2) . . . . ?
O22 Eu6 O38 Eu5 -150.0(4) . . . . ?
O22 C41 C42 C43 164.7(9) . . . . ?
O22 C41 C42 C47 -13.2(14) . . . . ?
O23 Eu6 O14 Eu2 58.7(7) . . . 2_576 ?
O23 Eu6 O14 Eu5 164.0(5) . . . . ?
O23 Eu6 O14 C25 -41.7(10) . . . . ?
O23 Eu6 O15 C31 127.8(10) . . . . ?
O23 Eu6 O17 C33 92.1(10) . . . . ?
O23 Eu6 O22 Eu4 -162.8(3) . . . . ?
O23 Eu6 O22 C41 24.6(9) . . . . ?
O23 Eu6 O30 C64 33.3(14) . . . . ?
O23 Eu6 O37 Eu2 -136.6(3) . . . 2_576 ?
O23 Eu6 O37 Eu4 106.0(2) . . . . ?
O23 Eu6 O38 Eu4 -64.2(4) . . . . ?
O23 Eu6 O38 Eu5 -175.5(3) . . . . ?
O25 Eu1 O2 Eu2 125.4(3) . . . . ?
O25 Eu1 O2 C1 -74.5(10) . . . . ?
O25 Eu1 O3 C7 52.7(11) . . . . ?
O25 Eu1 O6 Eu3 -47.5(4) . . . . ?
O25 Eu1 O6 Eu4 -154.8(3) . . . . ?
O25 Eu1 O6 C9 103.8(8) . . . . ?
O25 Eu1 O21 C41 143.2(9) . . . . ?
O25 Eu1 O26 C52 122.0(19) . . . . ?
O25 Eu1 O33 Eu2 -114.7(3) . . . . ?
O25 Eu1 O33 Eu3 137.2(4) . . . . ?
O25 Eu1 O34 Eu2 30.9(5) . . . . ?
O25 Eu1 O34 Eu4 149.2(4) . . . . ?
O26 Eu1 O2 Eu2 113.4(4) . . . . ?
O26 Eu1 O2 C1 -86.5(11) . . . . ?
O26 Eu1 O3 C7 121.1(11) . . . . ?
O26 Eu1 O6 Eu3 -102.1(3) . . . . ?
O26 Eu1 O6 Eu4 150.6(3) . . . . ?
O26 Eu1 O6 C9 49.2(8) . . . . ?
O26 Eu1 O21 C41 -165.2(10) . . . . ?
O26 Eu1 O25 C49X 152(3) . . . . ?
O26 Eu1 O25 C49 -127(3) . . . . ?
O26 Eu1 O33 Eu2 174.0(3) . . . . ?
O26 Eu1 O33 Eu3 65.9(3) . . . . ?
O26 Eu1 O34 Eu2 -111.4(4) . . . . ?
O26 Eu1 O34 Eu4 6.9(6) . . . . ?
O30 Eu6 O14 Eu2 -148.0(3) . . . 2_576 ?
O30 Eu6 O14 Eu5 -42.7(4) . . . . ?
O30 Eu6 O14 C25 111.6(7) . . . . ?
O30 Eu6 O15 C31 -158.9(11) . . . . ?
O30 Eu6 O17 C33 146.7(9) . . . . ?
O30 Eu6 O22 Eu4 113.8(3) . . . . ?
O30 Eu6 O22 C41 -58.8(9) . . . . ?
O30 Eu6 O23 C47 34.5(10) . . . . ?
O30 Eu6 O37 Eu2 135.5(3) . . . 2_576 ?
O30 Eu6 O37 Eu4 18.1(4) . . . . ?
O30 Eu6 O38 Eu4 -118.2(3) . . . . ?
O30 Eu6 O38 Eu5 130.5(4) . . . . ?
O33 Eu1 O2 Eu2 37.9(2) . . . . ?
O33 Eu1 O2 C1 -162.0(10) . . . . ?
O33 Eu1 O3 C7 -17.0(13) . . . . ?
O33 Eu1 O6 Eu3 4.2(2) . . . . ?
O33 Eu1 O6 Eu4 -103.1(2) . . . . ?
O33 Eu1 O6 C9 155.5(8) . . . . ?
O33 Eu1 O21 C41 -75.3(10) . . . . ?
O33 Eu1 O25 C49X 51(3) . . . . ?
O33 Eu1 O25 C49 132(3) . . . . ?
O33 Eu1 O26 C52 -159.2(19) . . . . ?
O33 Eu1 O34 Eu2 -28.5(2) . . . . ?
O33 Eu1 O34 Eu4 89.8(3) . . . . ?
O33 Eu2 O2 Eu1 -37.5(2) . . . . ?
O33 Eu2 O2 C1 159.2(8) . . . . ?
O33 Eu2 O34 Eu1 28.4(2) . . . . ?
O33 Eu2 O34 Eu4 -89.9(3) . . . . ?
O33 Eu2 O35 Eu3 -27.7(2) . . . . ?
O33 Eu2 O35 Eu4 87.8(3) . . . . ?
O33 Eu2 O36 Eu4 -156.1(3) . . . 2_576 ?
O33 Eu2 O36 Eu5 98.1(4) . . . 2_576 ?
O33 Eu3 O6 Eu1 -4.1(2) . . . . ?
O33 Eu3 O6 Eu4 100.1(3) . . . . ?
O33 Eu3 O6 C9 -157.4(7) . . . . ?
O33 Eu3 O7 C15 80.6(11) . . . . ?
O33 Eu3 O9 C17 63.1(11) . . . . ?
O33 Eu3 O35 Eu2 27.9(2) . . . . ?
O33 Eu3 O35 Eu4 -88.3(3) . . . . ?
O33 Eu3 O27X C55X 55(9) . . . . ?
O33 Eu3 O27 C55 80(4) . . . . ?
O34 Eu1 O2 Eu2 -44.0(2) . . . . ?
O34 Eu1 O2 C1 116.1(10) . . . . ?
O34 Eu1 O3 C7 -84.8(11) . . . . ?
O34 Eu1 O6 Eu3 87.3(2) . . . . ?
O34 Eu1 O6 Eu4 -20.1(2) . . . . ?
O34 Eu1 O6 C9 -121.5(8) . . . . ?
O34 Eu1 O21 C41 -15.6(9) . . . . ?
O34 Eu1 O25 C49X -6(3) . . . . ?
O34 Eu1 O25 C49 75(3) . . . . ?
O34 Eu1 O26 C52 -83.7(19) . . . . ?
O34 Eu1 O33 Eu2 29.1(2) . . . . ?
O34 Eu1 O33 Eu3 -79.0(3) . . . . ?
O34 Eu2 O2 Eu1 42.9(2) . . . . ?
O34 Eu2 O2 C1 -120.4(8) . . . . ?
O34 Eu2 O33 Eu1 -28.5(2) . . . . ?
O34 Eu2 O33 Eu3 97.7(2) . . . . ?
O34 Eu2 O35 Eu3 -105.7(2) . . . . ?
O34 Eu2 O35 Eu4 9.8(2) . . . . ?
O34 Eu2 O36 Eu4 -112.7(3) . . . 2_576 ?
O34 Eu2 O36 Eu5 141.5(3) . . . 2_576 ?
O34 Eu4 O5 C9 -45.7(6) . . . . ?
O34 Eu4 O6 Eu1 19.82(19) . . . . ?
O34 Eu4 O6 Eu3 -91.0(2) . . . . ?
O34 Eu4 O6 C9 147.0(6) . . . . ?
O34 Eu4 O10 Eu5 -144.7(3) . . . . ?
O34 Eu4 O10 C17 29.4(9) . . . . ?
O34 Eu4 O22 Eu6 129.8(2) . . . . ?
O34 Eu4 O22 C41 -56.6(8) . . . . ?
O34 Eu4 O35 Eu2 -10.0(2) . . . . ?
O34 Eu4 O35 Eu3 96.7(3) . . . . ?
O34 Eu4 O37 Eu2 114.8(3) . . . 2_576 ?
O34 Eu4 O37 Eu6 -128.2(2) . . . . ?
O34 Eu4 O38 Eu5 141.3(3) . . . . ?
O34 Eu4 O38 Eu6 13.4(5) . . . . ?
O34 Eu4 C9 O5 138.4(6) . . . . ?
O34 Eu4 C9 O6 -31.2(5) . . . . ?
O34 Eu4 C9 C10 -106(6) . . . . ?
O35 Eu2 O2 Eu1 14.4(3) . . . . ?
O35 Eu2 O2 C1 -149.0(7) . . . . ?
O35 Eu2 O33 Eu1 -97.6(2) . . . . ?
O35 Eu2 O33 Eu3 28.6(2) . . . . ?
O35 Eu2 O34 Eu1 108.4(3) . . . . ?
O35 Eu2 O34 Eu4 -9.9(2) . . . . ?
O35 Eu2 O36 Eu4 -56.1(3) . . . 2_576 ?
O35 Eu2 O36 Eu5 -161.9(2) . . . 2_576 ?
O35 Eu3 O6 Eu1 -86.7(2) . . . . ?
O35 Eu3 O6 Eu4 17.6(2) . . . . ?
O35 Eu3 O6 C9 120.0(7) . . . . ?
O35 Eu3 O7 C15 4.1(13) . . . . ?
O35 Eu3 O9 C17 11.1(10) . . . . ?
O35 Eu3 O33 Eu1 79.2(3) . . . . ?
O35 Eu3 O33 Eu2 -28.8(2) . . . . ?
O35 Eu3 O27X C55X 110(9) . . . . ?
O35 Eu3 O27 C55 127(4) . . . . ?
O35 Eu4 O5 C9 29.7(7) . . . . ?
O35 Eu4 O6 Eu1 92.9(2) . . . . ?
O35 Eu4 O6 Eu3 -17.9(2) . . . . ?
O35 Eu4 O6 C9 -139.9(6) . . . . ?
O35 Eu4 O10 Eu5 -129.9(2) . . . . ?
O35 Eu4 O10 C17 44.2(7) . . . . ?
O35 Eu4 O22 Eu6 144.7(3) . . . . ?
O35 Eu4 O22 C41 -41.7(9) . . . . ?
O35 Eu4 O34 Eu1 -99.5(3) . . . . ?
O35 Eu4 O34 Eu2 10.1(2) . . . . ?
O35 Eu4 O37 Eu2 54.7(3) . . . 2_576 ?
O35 Eu4 O37 Eu6 171.69(19) . . . . ?
O35 Eu4 O38 Eu5 -13.3(5) . . . . ?
O35 Eu4 O38 Eu6 -141.2(3) . . . . ?
O35 Eu4 C9 O5 -153.0(6) . . . . ?
O35 Eu4 C9 O6 37.4(5) . . . . ?
O35 Eu4 C9 C10 -38(6) . . . . ?
O36 Eu2 O2 Eu1 128.3(2) . . . . ?
O36 Eu2 O2 C1 -35.1(8) . . . . ?
O36 Eu2 O33 Eu1 16.6(5) . . . . ?
O36 Eu2 O33 Eu3 142.8(3) . . . . ?
O36 Eu2 O34 Eu1 -126.2(2) . . . . ?
O36 Eu2 O34 Eu4 115.5(3) . . . . ?
O36 Eu2 O35 Eu3 -170.03(19) . . . . ?
O36 Eu2 O35 Eu4 -54.5(3) . . . . ?
O36 Eu4 O5 C9 126.9(6) 2_576 . . . ?
O36 Eu4 O6 Eu1 129.3(3) 2_576 . . . ?
O36 Eu4 O6 Eu3 18.4(5) 2_576 . . . ?
O36 Eu4 O6 C9 -103.6(6) 2_576 . . . ?
O36 Eu4 O10 Eu5 -45.7(2) 2_576 . . . ?
O36 Eu4 O10 C17 128.4(7) 2_576 . . . ?
O36 Eu4 O22 Eu6 16.3(3) 2_576 . . . ?
O36 Eu4 O22 C41 -170.1(7) 2_576 . . . ?
O36 Eu4 O34 Eu1 -165.9(2) 2_576 . . . ?
O36 Eu4 O34 Eu2 -56.3(3) 2_576 . . . ?
O36 Eu4 O35 Eu2 113.4(3) 2_576 . . . ?
O36 Eu4 O35 Eu3 -140.0(3) 2_576 . . . ?
O36 Eu4 O37 Eu2 -10.0(2) 2_576 . . 2_576 ?
O36 Eu4 O37 Eu6 107.0(3) 2_576 . . . ?
O36 Eu4 O38 Eu5 29.1(2) 2_576 . . . ?
O36 Eu4 O38 Eu6 -98.8(2) 2_576 . . . ?
O36 Eu4 C9 O5 -77.8(7) 2_576 . . . ?
O36 Eu4 C9 O6 112.6(6) 2_576 . . . ?
O36 Eu4 C9 C10 37(6) 2_576 . . . ?
O36 Eu5 O10 Eu4 46.2(2) 2_576 . . . ?
O36 Eu5 O10 C17 -126.6(9) 2_576 . . . ?
O36 Eu5 O11 C23 70.9(12) 2_576 . . . ?
O36 Eu5 O14 Eu2 17.8(2) 2_576 . . 2_576 ?
O36 Eu5 O14 Eu6 -89.6(3) 2_576 . . . ?
O36 Eu5 O14 C25 120.0(8) 2_576 . . . ?
O36 Eu5 O38 Eu4 -29.4(2) 2_576 . . . ?
O36 Eu5 O38 Eu6 82.0(3) 2_576 . . . ?
O36 Eu5 O28 C58 -150(3) 2_576 . . . ?
O36 Eu5 O29X C61X 45(5) 2_576 . . . ?
O36 Eu5 O28X C58X -141(3) 2_576 . . . ?
O36 Eu5 O29 C61 56(4) 2_576 . . . ?
O37 Eu2 O2 Eu1 142.4(3) 2_576 . . . ?
O37 Eu2 O2 C1 -20.9(10) 2_576 . . . ?
O37 Eu2 O33 Eu1 -139.6(3) 2_576 . . . ?
O37 Eu2 O33 Eu3 -13.4(5) 2_576 . . . ?
O37 Eu2 O34 Eu1 173.2(2) 2_576 . . . ?
O37 Eu2 O34 Eu4 54.9(3) 2_576 . . . ?
O37 Eu2 O35 Eu3 130.1(2) 2_576 . . . ?
O37 Eu2 O35 Eu4 -114.4(3) 2_576 . . . ?
O37 Eu2 O36 Eu4 10.0(2) 2_576 . . 2_576 ?
O37 Eu2 O36 Eu5 -95.8(3) 2_576 . . 2_576 ?
O37 Eu4 O5 C9 -141.3(6) . . . . ?
O37 Eu4 O6 Eu1 -14.4(4) . . . . ?
O37 Eu4 O6 Eu3 -125.3(3) . . . . ?
O37 Eu4 O6 C9 112.8(6) . . . . ?
O37 Eu4 O10 Eu5 -16.3(3) . . . . ?
O37 Eu4 O10 C17 157.7(7) . . . . ?
O37 Eu4 O22 Eu6 45.5(2) . . . . ?
O37 Eu4 O22 C41 -140.9(8) . . . . ?
O37 Eu4 O34 Eu1 137.5(3) . . . . ?
O37 Eu4 O34 Eu2 -112.9(3) . . . . ?
O37 Eu4 O35 Eu2 56.5(3) . . . . ?
O37 Eu4 O35 Eu3 163.1(2) . . . . ?
O37 Eu4 O38 Eu5 98.1(2) . . . . ?
O37 Eu4 O38 Eu6 -29.7(2) . . . . ?
O37 Eu4 C9 O5 61.0(8) . . . . ?
O37 Eu4 C9 O6 -108.6(6) . . . . ?
O37 Eu4 C9 C10 176(6) . . . . ?
O37 Eu6 O14 Eu2 -17.2(2) . . . 2_576 ?
O37 Eu6 O14 Eu5 88.1(2) . . . . ?
O37 Eu6 O14 C25 -117.7(7) . . . . ?
O37 Eu6 O15 C31 -11.9(12) . . . . ?
O37 Eu6 O17 C33 -14.5(10) . . . . ?
O37 Eu6 O22 Eu4 -45.5(2) . . . . ?
O37 Eu6 O22 C41 141.9(9) . . . . ?
O37 Eu6 O23 C47 -99.5(10) . . . . ?
O37 Eu6 O30 C64 131.8(13) . . . . ?
O37 Eu6 O38 Eu4 29.6(2) . . . . ?
O37 Eu6 O38 Eu5 -81.7(3) . . . . ?
O38 Eu4 O5 C9 172.4(6) . . . . ?
O38 Eu4 O6 Eu1 -123.5(2) . . . . ?
O38 Eu4 O6 Eu3 125.6(2) . . . . ?
O38 Eu4 O6 C9 3.7(6) . . . . ?
O38 Eu4 O10 Eu5 35.5(2) . . . . ?
O38 Eu4 O10 C17 -150.4(7) . . . . ?
O38 Eu4 O22 Eu6 -35.3(2) . . . . ?
O38 Eu4 O22 C41 138.3(8) . . . . ?
O38 Eu4 O34 Eu1 95.7(4) . . . . ?
O38 Eu4 O34 Eu2 -154.6(3) . . . . ?
O38 Eu4 O35 Eu2 154.4(3) . . . . ?
O38 Eu4 O35 Eu3 -98.9(4) . . . . ?
O38 Eu4 O37 Eu2 -89.1(3) . . . 2_576 ?
O38 Eu4 O37 Eu6 27.9(2) . . . . ?
O38 Eu4 C9 O5 -7.2(6) . . . . ?
O38 Eu4 C9 O6 -176.9(5) . . . . ?
O38 Eu4 C9 C10 108(6) . . . . ?
O38 Eu5 O10 Eu4 -36.03(19) . . . . ?
O38 Eu5 O10 C17 151.2(9) . . . . ?
O38 Eu5 O11 C23 -14.7(14) . . . . ?
O38 Eu5 O14 Eu2 100.9(3) . . . 2_576 ?
O38 Eu5 O14 Eu6 -6.5(2) . . . . ?
O38 Eu5 O14 C25 -156.9(8) . . . . ?
O38 Eu5 O28 C58 162(3) . . . . ?
O38 Eu5 O29X C61X 137(4) . . . . ?
O38 Eu5 O28X C58X -177(3) . . . . ?
O38 Eu5 O29 C61 143(4) . . . . ?
O38 Eu6 O14 Eu2 -99.0(3) . . . 2_576 ?
O38 Eu6 O14 Eu5 6.4(2) . . . . ?
O38 Eu6 O14 C25 160.6(7) . . . . ?
O38 Eu6 O15 C31 -87.5(10) . . . . ?
O38 Eu6 O17 C33 -63.0(11) . . . . ?
O38 Eu6 O22 Eu4 35.9(2) . . . . ?
O38 Eu6 O22 C41 -136.8(9) . . . . ?
O38 Eu6 O23 C47 -18.0(12) . . . . ?
O38 Eu6 O30 C64 178.3(14) . . . . ?
O38 Eu6 O37 Eu2 89.1(3) . . . 2_576 ?
O38 Eu6 O37 Eu4 -28.4(2) . . . . ?
C1 C2 C3 C4 174.9(11) . . . . ?
C1 C2 C7 O3 8.1(17) . . . . ?
C1 C2 C7 C6 -172.3(10) . . . . ?
C2 C3 C4 C5 -3(2) . . . . ?
C3 C2 C7 O3 -179.3(11) . . . . ?
C3 C2 C7 C6 0.3(16) . . . . ?
C3 C4 C5 C6 1.0(19) . . . . ?
C4 C5 C6 C7 1.3(19) . . . . ?
C4 C5 C6 C8 -174.1(11) . . . . ?
C5 C6 C7 O3 177.7(11) . . . . ?
C5 C6 C7 C2 -1.9(16) . . . . ?
C5 C6 C8 O4 -6.0(18) . . . . ?
C7 C2 C3 C4 2.0(18) . . . . ?
C7 C6 C8 O4 178.5(11) . . . . ?
C8 C6 C7 O3 -6.7(16) . . . . ?
C8 C6 C7 C2 173.7(10) . . . . ?
C9 Eu4 O6 Eu1 -127.2(6) . . . . ?
C9 Eu4 O6 Eu3 122.0(6) . . . . ?
C9 Eu4 O10 Eu5 136.5(3) . . . . ?
C9 Eu4 O10 C17 -49.5(7) . . . . ?
C9 Eu4 O22 Eu6 -134.3(3) . . . . ?
C9 Eu4 O22 C41 39.2(8) . . . . ?
C9 Eu4 O34 Eu1 -9.9(3) . . . . ?
C9 Eu4 O34 Eu2 99.8(3) . . . . ?
C9 Eu4 O35 Eu2 -103.8(3) . . . . ?
C9 Eu4 O35 Eu3 2.8(3) . . . . ?
C9 Eu4 O37 Eu2 -163.6(4) . . . 2_576 ?
C9 Eu4 O37 Eu6 -46.6(6) . . . . ?
C9 Eu4 O38 Eu5 -113.7(3) . . . . ?
C9 Eu4 O38 Eu6 118.5(3) . . . . ?
C9 C10 C11 C12 179.8(12) . . . . ?
C9 C10 C15 O7 -2.5(18) . . . . ?
C9 C10 C15 C14 177.7(11) . . . . ?
C10 C11 C12 C13 3(2) . . . . ?
C11 C10 C15 O7 176.5(12) . . . . ?
C11 C10 C15 C14 -3.3(18) . . . . ?
C11 C12 C13 C14 -3(2) . . . . ?
C12 C13 C14 C15 1(2) . . . . ?
C12 C13 C14 C16 176.1(15) . . . . ?
C13 C14 C15 O7 -177.1(12) . . . . ?
C13 C14 C15 C10 2.7(18) . . . . ?
C13 C14 C16 O8 2(2) . . . . ?
C15 C10 C11 C12 1(2) . . . . ?
C15 C14 C16 O8 177.8(14) . . . . ?
C16 C14 C15 O7 7.3(18) . . . . ?
C16 C14 C15 C10 -172.9(12) . . . . ?
C17 C18 C19 C20 -177.3(11) . . . . ?
C17 C18 C23 O11 1.6(16) . . . . ?
C17 C18 C23 C22 179.5(9) . . . . ?
C18 C19 C20 C21 -2(2) . . . . ?
C19 C18 C23 O11 -176.6(10) . . . . ?
C19 C18 C23 C22 1.2(15) . . . . ?
C19 C20 C21 C22 0(2) . . . . ?
C20 C21 C22 C23 2.5(18) . . . . ?
C20 C21 C22 C24 -179.3(12) . . . . ?
C21 C22 C23 O11 174.9(10) . . . . ?
C21 C22 C23 C18 -3.0(15) . . . . ?
C21 C22 C24 O12 -2.1(19) . . . . ?
C23 C18 C19 C20 1.1(18) . . . . ?
C23 C22 C24 O12 176.1(12) . . . . ?
C24 C22 C23 O11 -3.3(15) . . . . ?
C24 C22 C23 C18 178.8(10) . . . . ?
C25 Eu2 O2 Eu1 -135.1(3) 2_576 . . . ?
C25 Eu2 O2 C1 61.6(8) 2_576 . . . ?
C25 Eu2 O33 Eu1 121.9(3) 2_576 . . . ?
C25 Eu2 O33 Eu3 -111.9(3) 2_576 . . . ?
C25 Eu2 O34 Eu1 -42.3(6) 2_576 . . . ?
C25 Eu2 O34 Eu4 -160.6(4) 2_576 . . . ?
C25 Eu2 O35 Eu3 51.0(4) 2_576 . . . ?
C25 Eu2 O35 Eu4 166.6(3) 2_576 . . . ?
C25 Eu2 O36 Eu4 98.7(3) 2_576 . . 2_576 ?
C25 Eu2 O36 Eu5 -7.2(3) 2_576 . . 2_576 ?
C25 C26 C27 C28 177.2(12) . . . . ?
C25 C26 C31 O15 8.1(17) . . . . ?
C25 C26 C31 C30 -174.0(10) . . . . ?
C26 C27 C28 C29 -2(2) . . . . ?
C27 C26 C31 O15 -172.9(11) . . . . ?
C27 C26 C31 C30 5.0(17) . . . . ?
C27 C28 C29 C30 2(2) . . . . ?
C28 C29 C30 C31 1(2) . . . . ?
C28 C29 C30 C32 -178.9(13) . . . . ?
C29 C30 C31 O15 173.2(11) . . . . ?
C29 C30 C31 C26 -4.7(17) . . . . ?
C29 C30 C32 O16 1(2) . . . . ?
C31 C26 C27 C28 -1.8(19) . . . . ?
C31 C30 C32 O16 -179.6(14) . . . . ?
C32 C30 C31 O15 -6.6(17) . . . . ?
C32 C30 C31 C26 175.5(11) . . . . ?
C33 C34 C35 C36 179.8(12) . . . . ?
C33 C34 C39 O19 3.0(17) . . . . ?
C33 C34 C39 C38 -178.7(10) . . . . ?
C34 C35 C36 C37 -3(2) . . . . ?
C35 C34 C39 O19 -179.9(11) . . . . ?
C35 C34 C39 C38 -1.6(16) . . . . ?
C35 C36 C37 C38 2(2) . . . . ?
C36 C37 C38 C39 -1.1(19) . . . . ?
C36 C37 C38 C40 176.3(13) . . . . ?
C37 C38 C39 O19 179.3(11) . . . . ?
C37 C38 C39 C34 0.9(16) . . . . ?
C37 C38 C40 O20 1(2) . . . . ?
C39 C34 C35 C36 2.5(19) . . . . ?
C39 C38 C40 O20 178.5(14) . . . . ?
C40 C38 C39 O19 1.9(18) . . . . ?
C40 C38 C39 C34 -176.5(11) . . . . ?
C41 C42 C43 C44 -177.4(10) . . . . ?
C41 C42 C47 O23 -3.0(16) . . . . ?
C41 C42 C47 C46 178.2(10) . . . . ?
C42 C43 C44 C45 -0.2(18) . . . . ?
C43 C42 C47 O23 179.2(10) . . . . ?
C43 C42 C47 C46 0.4(15) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C44 C45 C46 C47 2(2) . . . . ?
C44 C45 C46 C48 -177.0(14) . . . . ?
C45 C46 C47 O23 179.5(11) . . . . ?
C45 C46 C47 C42 -1.7(17) . . . . ?
C45 C46 C48 O24 -1(3) . . . . ?
C47 C42 C43 C44 0.5(17) . . . . ?
C47 C46 C48 O24 179.9(17) . . . . ?
C48 C46 C47 O23 -1.3(18) . . . . ?
C48 C46 C47 C42 177.5(12) . . . . ?
C53 N1 C52 O26 179.2(13) . . . . ?
C54 N1 C52 O26 0(2) . . . . ?
C65 N6 C64 O30 178.1(15) . . . . ?
C66 N6 C64 O30 1(2) . . . . ?
O27X Eu3 O6 Eu1 44.6(18) . . . . ?
O27X Eu3 O6 Eu4 148.9(18) . . . . ?
O27X Eu3 O6 C9 -108.7(19) . . . . ?
O27X Eu3 O7 C15 157.5(17) . . . . ?
O27X Eu3 O9 C17 -142(2) . . . . ?
O27X Eu3 O33 Eu1 -138.2(13) . . . . ?
O27X Eu3 O33 Eu2 113.8(13) . . . . ?
O27X Eu3 O35 Eu2 -28.6(17) . . . . ?
O27X Eu3 O35 Eu4 -144.8(17) . . . . ?
O27X Eu3 O27 C55 -142(15) . . . . ?
O28 Eu5 O10 Eu4 -110.5(5) . . . . ?
O28 Eu5 O10 C17 76.7(10) . . . . ?
O28 Eu5 O11 C23 -58.1(13) . . . . ?
O28 Eu5 O14 Eu2 143.5(5) . . . 2_576 ?
O28 Eu5 O14 Eu6 36.1(6) . . . . ?
O28 Eu5 O14 C25 -114.4(9) . . . . ?
O28 Eu5 O38 Eu4 115.0(5) . . . . ?
O28 Eu5 O38 Eu6 -133.6(6) . . . . ?
O28 Eu5 O29X C61X -158(5) . . . . ?
O28 Eu5 O28X C58X -90(5) . . . . ?
O28 Eu5 O29 C61 -153(4) . . . . ?
O29X Eu5 O10 Eu4 -132.8(15) . . . . ?
O29X Eu5 O10 C17 54.4(18) . . . . ?
O29X Eu5 O11 C23 -140.3(14) . . . . ?
O29X Eu5 O14 Eu2 -140.6(8) . . . 2_576 ?
O29X Eu5 O14 Eu6 112.0(8) . . . . ?
O29X Eu5 O14 C25 -38.5(10) . . . . ?
O29X Eu5 O38 Eu4 -170.5(8) . . . . ?
O29X Eu5 O38 Eu6 -59.1(8) . . . . ?
O29X Eu5 O28 C58 48(3) . . . . ?
O29X Eu5 O28X C58X 64(3) . . . . ?
O29X Eu5 O29 C61 9(8) . . . . ?
C49X O25 C49 N2 -6(3) . . . . ?
C49X N2 C49 O25 6(3) . . . . ?
C50X N2 C49X O25 -9(5) . . . . ?
C50X N2 C49 O25 -178(4) . . . . ?
C51X N2 C49X O25 -177(3) . . . . ?
C51X N2 C49 O25 82(22) . . . . ?
C56X N3X C55X O27X -6(17) . . . . ?
C57X N3X C55X O27X 155(10) . . . . ?
C59 N4 C58 O28 3(5) . . . . ?
C60 N4 C58 O28 172(3) . . . . ?
C62X N5X C61X O29X 171(4) . . . . ?
C63X N5X C61X O29X 5(6) . . . . ?
C67 O31 C67X N7 0(2) . . . . ?
C67 N7 C67X O31 0.0(19) . . . . ?
C68 N7 C67 O31 179.4(18) . . . . ?
C68 N7 C67X O31 -76(100) . . . . ?
C69 N7 C67 O31 9(3) . . . . ?
C69 N7 C67X O31 -170(3) . . . . ?
O27 Eu3 O6 Eu1 44.0(6) . . . . ?
O27 Eu3 O6 Eu4 148.3(5) . . . . ?
O27 Eu3 O6 C9 -109.3(9) . . . . ?
O27 Eu3 O7 C15 151.0(12) . . . . ?
O27 Eu3 O9 C17 -152.3(11) . . . . ?
O27 Eu3 O33 Eu1 -133.3(5) . . . . ?
O27 Eu3 O33 Eu2 118.8(5) . . . . ?
O27 Eu3 O35 Eu2 -18.3(6) . . . . ?
O27 Eu3 O35 Eu4 -134.5(5) . . . . ?
O27 Eu3 O27X C55X 15(12) . . . . ?
O28X Eu5 O10 Eu4 -107.6(5) . . . . ?
O28X Eu5 O10 C17 79.6(10) . . . . ?
O28X Eu5 O11 C23 -67.7(13) . . . . ?
O28X Eu5 O14 Eu2 152.6(5) . . . 2_576 ?
O28X Eu5 O14 Eu6 45.2(6) . . . . ?
O28X Eu5 O14 C25 -105.3(9) . . . . ?
O28X Eu5 O38 Eu4 126.9(5) . . . . ?
O28X Eu5 O38 Eu6 -121.7(6) . . . . ?
O28X Eu5 O28 C58 73(5) . . . . ?
O28X Eu5 O29X C61X -163(5) . . . . ?
O28X Eu5 O29 C61 -158(4) . . . . ?
O29 Eu5 O10 Eu4 -124.8(10) . . . . ?
O29 Eu5 O10 C17 62.4(14) . . . . ?
O29 Eu5 O11 C23 -133.2(13) . . . . ?
O29 Eu5 O14 Eu2 -147.6(6) . . . 2_576 ?
O29 Eu5 O14 Eu6 105.0(6) . . . . ?
O29 Eu5 O14 C25 -45.5(9) . . . . ?
O29 Eu5 O38 Eu4 -176.1(6) . . . . ?
O29 Eu5 O38 Eu6 -64.7(7) . . . . ?
O29 Eu5 O28 C58 50(3) . . . . ?
O29 Eu5 O29X C61X -175(13) . . . . ?
O29 Eu5 O28X C58X 65(3) . . . . ?
C49 O25 C49X N2 6(3) . . . . ?
C49 N2 C49X O25 -6(3) . . . . ?
C50 N2 C49X O25 -49(12) . . . . ?
C50 N2 C49 O25 175(3) . . . . ?
C51 N2 C49X O25 166(4) . . . . ?
C51 N2 C49 O25 -2(5) . . . . ?
C56 N3 C55 O27 178(3) . . . . ?
C57 N3 C55 O27 -6(6) . . . . ?
C59X N4X C58X O28X -12(5) . . . . ?
C60X N4X C58X O28X 152(3) . . . . ?
C62 N5 C61 O29 3(5) . . . . ?
C63 N5 C61 O29 -177(3) . . . . ?
C67X O31 C67 N7 0.0(17) . . . . ?
C67X N7 C67 O31 0.0(18) . . . . ?
C68X N7 C67 O31 -69(45) . . . . ?
C68X N7 C67X O31 177.8(19) . . . . ?
C69X N7 C67 O31 -179(3) . . . . ?
C69X N7 C67X O31 1(3) . . . . ?
C70 N8 C70X O32X 61(9) . . . . ?
C71 N8 C70 O32 -169(5) . . . . ?
C71 N8 C70X O32X 173(9) . . . . ?
C72 N8 C70 O32 21(9) . . . . ?
C72 N8 C70X O32X -32(13) . . . . ?
C70X N8 C70 O32 -96(10) . . . . ?
C71X N8 C70 O32 166(5) . . . . ?
C71X N8 C70X O32X 163(7) . . . . ?
C72X N8 C70 O32 25(7) . . . . ?
C72X N8 C70X O32X -7(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.488
_oxdiff_exptl_absorpt_empirical_full_min 0.695
####################################################################### 
# 
# 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_shi_3062_dili
_database_code_depnum_ccdc_archive 'CCDC 1825562'
_audit_update_record             
;
2018-02-24 deposited with the CCDC.
2018-12-26 downloaded from the CCDC.
;
_audit_creation_date             2017-06-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C132 H144 Dy12 N12 O72, 3.5(C3 H7 N O)'
_chemical_formula_sum            'C142.50 H168.50 Dy12 N15.50 O75.50'
_chemical_formula_weight         5256.42
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C35 H40 N4 O8 Dy1'
_chemical_oxdiff_usercomment     'DD18-65B = DD18-78'
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                   17.0435(6)
_cell_length_b                   17.1107(5)
_cell_length_c                   17.8280(6)
_cell_angle_alpha                71.221(3)
_cell_angle_beta                 84.773(3)
_cell_angle_gamma                87.821(3)
_cell_volume                     4901.7(3)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    8690
_cell_measurement_temperature    199.95(10)
_cell_measurement_theta_max      28.0070
_cell_measurement_theta_min      1.5270
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    4.596
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47774
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.02
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0970
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            41006
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.632
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      199.95(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1593
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      1.00  85.00   1.00   30.00    --   17.71  57.00  90.00   84
  2  ω     60.00  85.00   1.00   30.00    --   17.71  57.00 120.00   25
  3  ω     35.00  70.00   1.00   30.00    --   17.71 178.00 -30.00   35
  4  ω     36.00  61.00   1.00   30.00    --   17.71 178.00-120.00   25
  5  ω     11.00  38.00   1.00   30.00    --   17.71  57.00-150.00   27
  6  ω    -43.00  25.00   1.00   30.00    --   17.71 -77.00-150.00   68
  7  ω    -17.00  23.00   1.00   30.00    --  -15.44 -99.00-150.00   40
  8  ω     47.00  72.00   1.00   30.00    --   17.71-178.00-150.00   25
  9  ω     -6.00  21.00   1.00   30.00    --  -15.44 -99.00  90.00   27
 10  ω    -50.00  44.00   1.00   30.00    --   17.71 -77.00 -30.00   94
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0401017000
_diffrn_orient_matrix_UB_12      -0.0022838000
_diffrn_orient_matrix_UB_13      0.0151348000
_diffrn_orient_matrix_UB_21      0.0112903000
_diffrn_orient_matrix_UB_22      0.0032102000
_diffrn_orient_matrix_UB_23      0.0362122000
_diffrn_orient_matrix_UB_31      -0.0033181000
_diffrn_orient_matrix_UB_32      0.0436086000
_diffrn_orient_matrix_UB_33      -0.0154232000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                11809
_reflns_number_total             17250
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         2.117
_refine_diff_density_min         -1.616
_refine_diff_density_rms         0.215
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1075
_refine_ls_number_reflns         17250
_refine_ls_number_restraints     22
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0565
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0639P)²+0.5219P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1239
_refine_ls_wR_factor_ref         0.1473
_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
 C57X-C56X
 2.5 with sigma of 0.01
 O33-C55 = O33-C55X
 1.2 with sigma of 0.01
 N3-C55 = N3X-C55X
 1.4 with sigma of 0.01
 N3-C57 = N3X-C57X = N3-C56 = N3X-C56X
 1.48 with sigma of 0.01
 C62X-C61X \\sim C61X-C63X
 with sigma of 0.01
 O35-C61 \\sim O35-C61
 with sigma of 0.01
 C63-C61 \\sim C61-C62
 with sigma of 0.01
 O35-C61X \\sim O35-C61
 with sigma of 0.01
 N5X-C61 \\sim N5X-C61
 with sigma of 0.01
 N5X-C61X \\sim N5-C61
 with sigma of 0.01
 N5X-C63X \\sim N5-C63 \\sim N5X-C62X \\sim N5-C62
 with sigma of 0.01
 C56-C55 \\sim C55-C57
 with sigma of 0.01
 C56X-C55X \\sim C55X-C57X
 with sigma of 0.01
3. Restrained planarity
 N3X, C55X, C56X, C57X
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uiso(C61) = Uiso(C61X)
Uiso(C61X) = Uiso(C61) = Uiso(C63X) = Uiso(C63) = Uiso(C62X) = Uiso(C62)
Uiso(N3) = Uiso(N3X)
Uiso(N5) = Uiso(N5X)
Uanis(C70) = Uanis(C72) = Uanis(C71)
Uiso(C55X) = Uiso(C55) = Uiso(C57X) = Uiso(C56X) = Uiso(C56) = Uiso(C57)
Uiso(C70X) = Uiso(C72X) = Uiso(C71X)
5. Others
 Sof(C70X)=Sof(H70X)=Sof(C71X)=Sof(H71D)=Sof(H71E)=Sof(H71F)=Sof(C72X)=
 Sof(H72D)=Sof(H72E)=Sof(H72F)=1-FVAR(1)
 Sof(C70)=Sof(H70)=Sof(C71)=Sof(H71A)=Sof(H71B)=Sof(H71C)=Sof(C72)=Sof(H72A)=
 Sof(H72B)=Sof(H72C)=FVAR(1)
 Sof(N5X)=Sof(C61X)=Sof(H61X)=Sof(C62X)=Sof(H62D)=Sof(H62E)=Sof(H62F)=
 Sof(C63X)=Sof(H63D)=Sof(H63E)=Sof(H63F)=1-FVAR(2)
 Sof(N5)=Sof(C61)=Sof(H61)=Sof(C62)=Sof(H62A)=Sof(H62B)=Sof(H62C)=Sof(C63)=
 Sof(H63A)=Sof(H63B)=Sof(H63C)=FVAR(2)
 Sof(N3X)=Sof(C55X)=Sof(H55X)=Sof(C56X)=Sof(H56D)=Sof(H56E)=Sof(H56F)=
 Sof(C57X)=Sof(H57D)=Sof(H57E)=Sof(H57F)=1-FVAR(3)
 Sof(N3)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56A)=Sof(H56B)=Sof(H56C)=Sof(C57)=
 Sof(H57A)=Sof(H57B)=Sof(H57C)=FVAR(3)
 Fixed Sof: O37(0.75) N7(0.75) C67(0.75) H67(0.75) C68(0.75) H68A(0.75)
 H68B(0.75) H68C(0.75) C69(0.75) H69A(0.75) H69B(0.75) H69C(0.75)
6.a Riding coordinates:
 O1(H1), O2(H2), O3(H3), O4(H4), O5(H5), O6(H6), C50(H50A,H50B,H50C), C51(H51A,
 H51B,H51C), C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C56(H56A,H56B,H56C),
 C56X(H56D,H56E,H56F), C57(H57A,H57B,H57C), C57X(H57D,H57E,H57F), C59(H59A,H59B,
 H59C), C62(H62A,H62B,H62C), C62X(H62D,H62E,H62F), C63(H63A,H63B,H63C),
 C63X(H63D,H63E,H63F), C65(H65A,H65B,H65C), C66(H66A,H66B,H66C), C71X(H71D,H71E,
 H71F), C72(H72A,H72B,H72C), C72X(H72D,H72E,H72F), C68(H68A,H68B,H68C),
 C69(H69A,H69B,H69C)
6.b Aromatic/amide H refined with riding coordinates:
 C5(H5A), C6(H6A), C7(H7), C8(H8), C11(H11), C12(H12), C13(H13), C16(H16),
 C19(H19), C20(H20), C21(H21), C24(H24), C27(H27), C28(H28), C29(H29), C32(H32),
  C35(H35), C36(H36), C37(H37), C40(H40), C43(H43), C44(H44), C45(H45),
 C48(H48), C49(H49), C52(H52), C55(H55), C55X(H55X), C58(H58), C61(H61),
 C61X(H61X), C64(H64), C70(H70), C70X(H70X), C67(H67)
6.c Idealised Me refined as rotating group:
 C60(H60A,H60B,H60C), C71(H71A,H71B,H71C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.70000(3) 0.62142(3) 0.60692(3) 0.02988(15) Uani 1 1 d . . . . .
Dy2 Dy 0.60704(3) 0.40872(3) 0.75903(3) 0.03038(15) Uani 1 1 d . . . . .
Dy3 Dy 0.49688(3) 0.56520(3) 0.62490(3) 0.02462(14) Uani 1 1 d . . . . .
Dy4 Dy 0.65116(3) 0.43799(3) 0.53157(3) 0.02491(14) Uani 1 1 d . . . . .
Dy5 Dy 0.73133(3) 0.46252(3) 0.33078(3) 0.03096(15) Uani 1 1 d . . . . .
Dy6 Dy 0.63269(3) 0.24947(3) 0.48830(3) 0.02732(14) Uani 1 1 d . . . . .
O1 O 0.6055(4) 0.5482(4) 0.7006(4) 0.0322(19) Uani 1 1 d . . . . .
H1 H 0.5943 0.5749 0.7415 0.039 Uiso 1 1 d R . . . .
O2 O 0.5548(4) 0.4293(4) 0.6349(3) 0.0259(17) Uani 1 1 d . . . . .
H2 H 0.5146 0.3885 0.6385 0.031 Uiso 1 1 d R . . . .
O3 O 0.6134(4) 0.5686(4) 0.5356(3) 0.0253(17) Uani 1 1 d . . . . .
H3 H 0.6072 0.6074 0.4823 0.030 Uiso 1 1 d R . . . .
O4 O 0.3863(4) 0.5015(4) 0.6031(3) 0.0245(16) Uani 1 1 d . . . . .
H4 H 0.3935 0.4416 0.6173 0.029 Uiso 1 1 d R . . . .
O5 O 0.4476(4) 0.6394(4) 0.5034(3) 0.0206(15) Uani 1 1 d . . . . .
H5 H 0.4901 0.6571 0.4609 0.025 Uiso 1 1 d R . . . .
O6 O 0.7187(4) 0.3603(4) 0.4568(4) 0.0309(18) Uani 1 1 d . . . . .
H6 H 0.7705 0.3420 0.4761 0.037 Uiso 1 1 d R . . . .
O7 O 0.7860(5) 0.3922(4) 0.5805(4) 0.038(2) Uani 1 1 d . . . . .
O8 O 0.7130(4) 0.4675(4) 0.6403(4) 0.0266(16) Uani 1 1 d . . . . .
O9 O 0.8056(5) 0.5804(4) 0.6762(4) 0.041(2) Uani 1 1 d . . . . .
O10 O 0.9834(7) 0.5963(7) 0.8025(7) 0.089(4) Uani 1 1 d . . . . .
O11 O 0.5727(4) 0.6951(4) 0.5841(4) 0.0258(17) Uani 1 1 d . . . . .
O12 O 0.4753(5) 0.7869(4) 0.5646(4) 0.0301(17) Uani 1 1 d . . . . .
O13 O 0.7213(5) 0.7544(4) 0.5321(5) 0.046(2) Uani 1 1 d . . . . .
O14 O 0.8715(7) 0.9389(7) 0.4907(10) 0.138(6) Uani 1 1 d . . . . .
O15 O 0.7860(5) 0.6020(4) 0.5055(4) 0.040(2) Uani 1 1 d . . . . .
O16 O 0.7525(4) 0.5248(4) 0.4357(4) 0.0301(18) Uani 1 1 d . . . . .
O17 O 0.7858(5) 0.5866(5) 0.2726(4) 0.051(2) Uani 1 1 d . . . . .
O18 O 0.8809(9) 0.7669(8) 0.0842(7) 0.123(5) Uani 1 1 d . . . . .
O19 O 0.4701(4) 0.4565(4) 0.7550(4) 0.0314(18) Uani 1 1 d . . . . .
O20 O 0.3429(5) 0.4770(5) 0.7783(4) 0.038(2) Uani 1 1 d . . . . .
O21 O 0.5358(5) 0.3141(5) 0.8499(4) 0.049(2) Uani 1 1 d . . . . .
O22 O 0.5177(8) 0.1180(8) 1.0433(6) 0.125(5) Uani 1 1 d . . . . .
O23 O 0.4689(5) 0.6367(4) 0.7298(4) 0.0357(19) Uani 1 1 d . . . . .
O24 O 0.3751(4) 0.6384(4) 0.6535(4) 0.0315(18) Uani 1 1 d . . . . .
O25 O 0.2305(5) 0.6217(5) 0.7430(4) 0.044(2) Uani 1 1 d . . . . .
O26 O 0.0881(7) 0.7246(10) 0.8803(8) 0.129(5) Uani 1 1 d . . . . .
O27 O 0.6545(5) 0.2933(4) 0.7277(4) 0.040(2) Uani 1 1 d . . . . .
O28 O 0.6460(4) 0.2899(4) 0.6070(4) 0.0287(17) Uani 1 1 d . . . . .
O29 O 0.5672(5) 0.1600(4) 0.5919(4) 0.046(2) Uani 1 1 d . . . . .
O30 O 0.4434(6) -0.0470(5) 0.6967(5) 0.066(3) Uani 1 1 d . . . . .
O31 O 0.7189(6) 0.3764(5) 0.8285(5) 0.049(2) Uani 1 1 d . . . . .
O32 O 0.5896(6) 0.4736(5) 0.8598(4) 0.051(2) Uani 1 1 d . . . . .
O33 O 0.7457(6) 0.1751(6) 0.5496(5) 0.066(3) Uani 1 1 d D . . . .
O34 O 0.6931(5) 0.1848(5) 0.4042(4) 0.043(2) Uani 1 1 d . . . . .
O35 O 0.6815(6) 0.6901(5) 0.7064(5) 0.055(2) Uani 1 1 d D . . . .
O36 O 0.8628(5) 0.4261(5) 0.3666(5) 0.053(2) Uani 1 1 d . . . . .
N1 N 0.8261(10) 0.3246(10) 0.8869(9) 0.087(5) Uani 1 1 d . . . . .
N2 N 0.6038(7) 0.5014(6) 0.9736(5) 0.057(3) Uani 1 1 d . . . . .
N3 N 0.8131(10) 0.1309(10) 0.6589(10) 0.089(6) Uiso 0.754(12) 1 d D . P A 2
N3X N 0.871(2) 0.134(2) 0.612(2) 0.089(6) Uiso 0.246(12) 1 d D . P A 1
N4 N 0.7658(7) 0.1127(7) 0.3372(7) 0.058(3) Uani 1 1 d . . . . .
N5 N 0.6628(15) 0.7975(14) 0.7546(15) 0.055(4) Uiso 0.54(3) 1 d D . P B 1
N5X N 0.6946(16) 0.7892(16) 0.7572(16) 0.055(4) Uiso 0.46(3) 1 d D . P B 2
N6 N 0.9663(8) 0.3528(8) 0.4183(7) 0.067(4) Uani 1 1 d . . . . .
C1 C 0.7801(7) 0.4354(7) 0.6252(6) 0.034(3) Uani 1 1 d . . . . .
C2 C 0.8506(7) 0.4487(6) 0.6642(6) 0.034(3) Uani 1 1 d . . . . .
C3 C 0.8545(7) 0.5193(7) 0.6913(6) 0.037(3) Uani 1 1 d . . . . .
C4 C 0.9209(8) 0.5220(8) 0.7330(7) 0.043(3) Uani 1 1 d . . . . .
C5 C 0.9818(8) 0.4604(9) 0.7426(7) 0.055(4) Uani 1 1 d . . . . .
H5A H 1.0256 0.4641 0.7687 0.066 Uiso 1 1 calc R . . . .
C6 C 0.9761(8) 0.3963(8) 0.7136(8) 0.055(4) Uani 1 1 d . . . . .
H6A H 1.0158 0.3566 0.7198 0.066 Uiso 1 1 calc R . . . .
C7 C 0.9098(8) 0.3908(7) 0.6743(7) 0.047(3) Uani 1 1 d . . . . .
H7 H 0.9060 0.3469 0.6548 0.057 Uiso 1 1 calc R . . . .
C8 C 0.9277(9) 0.5860(9) 0.7689(8) 0.062(4) Uani 1 1 d . . . . .
H8 H 0.8855 0.6226 0.7660 0.075 Uiso 1 1 calc R . . . .
C9 C 0.5457(8) 0.7692(6) 0.5673(5) 0.029(3) Uani 1 1 d . . . . .
C10 C 0.6067(8) 0.8371(6) 0.5489(6) 0.038(3) Uani 1 1 d . . . . .
C11 C 0.5785(8) 0.9148(6) 0.5485(6) 0.041(3) Uani 1 1 d . . . . .
H11 H 0.5244 0.9212 0.5576 0.049 Uiso 1 1 calc R . . . .
C12 C 0.6249(8) 0.9824(6) 0.5357(8) 0.048(3) Uani 1 1 d . . . . .
H12 H 0.6042 1.0334 0.5360 0.057 Uiso 1 1 calc R . . . .
C13 C 0.7059(10) 0.9687(8) 0.5220(8) 0.061(4) Uani 1 1 d . . . . .
H13 H 0.7396 1.0127 0.5138 0.074 Uiso 1 1 calc R . . . .
C14 C 0.7397(8) 0.8923(7) 0.5197(7) 0.046(3) Uani 1 1 d . . . . .
C15 C 0.6888(8) 0.8231(6) 0.5340(6) 0.038(3) Uani 1 1 d . . . . .
C16 C 0.8243(9) 0.8802(9) 0.5060(10) 0.086(6) Uani 1 1 d . . . . .
H16 H 0.8437 0.8279 0.5085 0.104 Uiso 1 1 calc R . . . .
C17 C 0.7848(6) 0.5890(6) 0.4397(7) 0.032(3) Uani 1 1 d . . . . .
C18 C 0.8185(7) 0.6526(7) 0.3661(6) 0.038(3) Uani 1 1 d . . . . .
C19 C 0.8525(9) 0.7214(8) 0.3762(8) 0.063(4) Uani 1 1 d . . . . .
H19 H 0.8539 0.7244 0.4272 0.076 Uiso 1 1 calc R . . . .
C20 C 0.8844(10) 0.7858(8) 0.3109(9) 0.074(5) Uani 1 1 d . . . . .
H20 H 0.9067 0.8311 0.3186 0.089 Uiso 1 1 calc R . . . .
C21 C 0.8826(8) 0.7815(8) 0.2370(8) 0.058(4) Uani 1 1 d . . . . .
H21 H 0.9035 0.8244 0.1937 0.070 Uiso 1 1 calc R . . . .
C22 C 0.8508(8) 0.7156(7) 0.2243(7) 0.046(3) Uani 1 1 d . . . . .
C23 C 0.8162(7) 0.6463(7) 0.2882(7) 0.041(3) Uani 1 1 d . . . . .
C24 C 0.8534(10) 0.7145(10) 0.1459(10) 0.085(5) Uani 1 1 d . . . . .
H24 H 0.8317 0.6684 0.1393 0.102 Uiso 1 1 calc R . . . .
C25 C 0.4057(8) 0.4370(7) 0.7954(6) 0.035(3) Uani 1 1 d . . . . .
C26 C 0.4026(7) 0.3598(6) 0.8664(6) 0.032(3) Uani 1 1 d . . . . .
C27 C 0.3288(8) 0.3378(7) 0.9090(7) 0.053(4) Uani 1 1 d . . . . .
H27 H 0.2858 0.3718 0.8919 0.063 Uiso 1 1 calc R . . . .
C28 C 0.3167(10) 0.2689(9) 0.9745(9) 0.074(5) Uani 1 1 d . . . . .
H28 H 0.2669 0.2569 1.0010 0.088 Uiso 1 1 calc R . . . .
C29 C 0.3771(12) 0.2206(10) 0.9986(7) 0.077(6) Uani 1 1 d . . . . .
H29 H 0.3691 0.1747 1.0438 0.092 Uiso 1 1 calc R . . . .
C30 C 0.4537(10) 0.2347(8) 0.9596(6) 0.056(4) Uani 1 1 d . . . . .
C31 C 0.4674(8) 0.3065(7) 0.8893(6) 0.039(3) Uani 1 1 d . . . . .
C32 C 0.5206(12) 0.1821(10) 0.9867(8) 0.086(6) Uani 1 1 d . . . . .
H32 H 0.5694 0.1979 0.9592 0.103 Uiso 1 1 calc R . . . .
C33 C 0.4001(8) 0.6500(6) 0.7163(6) 0.036(3) Uani 1 1 d . . . . .
C34 C 0.3418(8) 0.6843(7) 0.7662(6) 0.044(3) Uani 1 1 d . . . . .
C35 C 0.3731(9) 0.7323(7) 0.8050(7) 0.057(4) Uani 1 1 d . . . . .
H35 H 0.4272 0.7405 0.7981 0.068 Uiso 1 1 calc R . . . .
C36 C 0.3275(10) 0.7697(9) 0.8544(8) 0.069(5) Uani 1 1 d . . . . .
H36 H 0.3494 0.8041 0.8779 0.083 Uiso 1 1 calc R . . . .
C37 C 0.2531(11) 0.7530(9) 0.8648(8) 0.069(5) Uani 1 1 d . . . . .
H37 H 0.2219 0.7739 0.8997 0.083 Uiso 1 1 calc R . . . .
C38 C 0.2153(9) 0.7044(8) 0.8264(7) 0.055(4) Uani 1 1 d . . . . .
C39 C 0.2618(8) 0.6681(7) 0.7761(6) 0.041(3) Uani 1 1 d . . . . .
C40 C 0.1341(11) 0.6978(10) 0.8350(11) 0.092(6) Uani 1 1 d . . . . .
H40 H 0.1116 0.6711 0.8044 0.110 Uiso 1 1 calc R . . . .
C41 C 0.6341(7) 0.2578(6) 0.6813(6) 0.029(3) Uani 1 1 d . . . . .
C42 C 0.5987(7) 0.1734(6) 0.7161(6) 0.035(3) Uani 1 1 d . . . . .
C43 C 0.5935(10) 0.1386(8) 0.7999(6) 0.066(5) Uani 1 1 d . . . . .
H43 H 0.6140 0.1672 0.8301 0.079 Uiso 1 1 calc R . . . .
C44 C 0.5590(10) 0.0638(7) 0.8374(8) 0.075(5) Uani 1 1 d . . . . .
H44 H 0.5593 0.0395 0.8921 0.089 Uiso 1 1 calc R . . . .
C45 C 0.5239(9) 0.0249(8) 0.7928(7) 0.063(4) Uani 1 1 d . . . . .
H45 H 0.4989 -0.0251 0.8188 0.075 Uiso 1 1 calc R . . . .
C46 C 0.5241(8) 0.0573(7) 0.7101(6) 0.048(4) Uani 1 1 d . . . . .
C47 C 0.5641(7) 0.1326(6) 0.6692(6) 0.033(3) Uani 1 1 d . . . . .
C48 C 0.4808(8) 0.0176(7) 0.6680(7) 0.047(3) Uani 1 1 d . . . . .
H48 H 0.4808 0.0430 0.6134 0.057 Uiso 1 1 calc R . . . .
C49 C 0.7695(12) 0.3260(11) 0.8434(9) 0.074(5) Uani 1 1 d . . . . .
H49 H 0.7683 0.2835 0.8216 0.089 Uiso 1 1 calc R . . . .
C50 C 0.8909(13) 0.2599(14) 0.9024(12) 0.149(10) Uani 1 1 d . . . . .
H50A H 0.9330 0.2784 0.8615 0.223 Uiso 1 1 d R . . . .
H50B H 0.8716 0.2081 0.9017 0.223 Uiso 1 1 d R . . . .
H50C H 0.9098 0.2531 0.9532 0.223 Uiso 1 1 d R . . . .
C51 C 0.8279(13) 0.3878(18) 0.9232(11) 0.165(13) Uani 1 1 d . . . . .
H51A H 0.8752 0.4195 0.9046 0.247 Uiso 1 1 d R . . . .
H51B H 0.8262 0.3630 0.9799 0.247 Uiso 1 1 d R . . . .
H51C H 0.7829 0.4234 0.9096 0.247 Uiso 1 1 d R . . . .
C52 C 0.6015(7) 0.4523(7) 0.9303(7) 0.042(3) Uani 1 1 d . . . . .
H52 H 0.6096 0.3963 0.9556 0.050 Uiso 1 1 calc R . . . .
C53 C 0.6205(10) 0.4694(8) 1.0571(6) 0.075(5) Uani 1 1 d . . . . .
H53A H 0.6659 0.4961 1.0656 0.112 Uiso 1 1 d R . . . .
H53B H 0.6304 0.4111 1.0707 0.112 Uiso 1 1 d R . . . .
H53C H 0.5758 0.4793 1.0898 0.112 Uiso 1 1 d R . . . .
C54 C 0.5940(10) 0.5898(7) 0.9365(7) 0.068(5) Uani 1 1 d . . . . .
H54A H 0.5778 0.6143 0.9769 0.103 Uiso 1 1 d R . . . .
H54B H 0.5543 0.5998 0.8995 0.103 Uiso 1 1 d R . . . .
H54C H 0.6427 0.6138 0.9089 0.103 Uiso 1 1 d R . . . .
C55 C 0.7877(16) 0.1918(13) 0.5928(13) 0.140(7) Uiso 0.754(12) 1 d D . P A 2
H55 H 0.8034 0.2460 0.5818 0.168 Uiso 0.754(12) 1 calc R . P A 2
C55X C 0.791(3) 0.142(4) 0.599(3) 0.140(7) Uiso 0.246(12) 1 d D . P A 1
H55X H 0.7618 0.1096 0.6443 0.168 Uiso 0.246(12) 1 calc R . P A 1
C56 C 0.8643(16) 0.1498(17) 0.7135(14) 0.140(7) Uiso 0.754(12) 1 d D . P A 2
H56A H 0.8879 0.2029 0.6887 0.211 Uiso 0.754(12) 1 d R . P A 2
H56B H 0.9049 0.1083 0.7266 0.211 Uiso 0.754(12) 1 d R . P A 2
H56C H 0.8331 0.1497 0.7612 0.211 Uiso 0.754(12) 1 d R . P A 2
C56X C 0.909(4) 0.178(4) 0.658(4) 0.140(7) Uiso 0.246(12) 1 d D . P A 1
H56D H 0.9435 0.2122 0.6158 0.211 Uiso 0.246(12) 1 d R . P A 1
H56E H 0.9388 0.1411 0.6977 0.211 Uiso 0.246(12) 1 d R . P A 1
H56F H 0.8756 0.2122 0.6813 0.211 Uiso 0.246(12) 1 d R . P A 1
C57 C 0.7796(18) 0.0478(11) 0.6892(15) 0.140(7) Uiso 0.754(12) 1 d D . P A 2
H57A H 0.7406 0.0418 0.7330 0.211 Uiso 0.754(12) 1 d R . P A 2
H57B H 0.8216 0.0087 0.7057 0.211 Uiso 0.754(12) 1 d R . P A 2
H57C H 0.7559 0.0378 0.6462 0.211 Uiso 0.754(12) 1 d R . P A 2
C57X C 0.926(4) 0.081(4) 0.579(4) 0.140(7) Uiso 0.246(12) 1 d D . P A 1
H57D H 0.9484 0.0397 0.6223 0.211 Uiso 0.246(12) 1 d R . P A 1
H57E H 0.9681 0.1072 0.5397 0.211 Uiso 0.246(12) 1 d R . P A 1
H57F H 0.8906 0.0557 0.5552 0.211 Uiso 0.246(12) 1 d R . P A 1
C58 C 0.6988(9) 0.1391(8) 0.3634(7) 0.057(4) Uani 1 1 d . . . . .
H58 H 0.6525 0.1219 0.3501 0.068 Uiso 1 1 calc R . . . .
C59 C 0.8399(10) 0.1391(11) 0.3559(11) 0.100(6) Uani 1 1 d . . . . .
H59A H 0.8685 0.1725 0.3081 0.150 Uiso 1 1 d R . . . .
H59B H 0.8700 0.0902 0.3797 0.150 Uiso 1 1 d R . . . .
H59C H 0.8307 0.1698 0.3924 0.150 Uiso 1 1 d R . . . .
C60 C 0.7660(12) 0.0559(9) 0.2898(9) 0.101(7) Uani 1 1 d . . . . .
H60A H 0.7132 0.0380 0.2902 0.151 Uiso 1 1 calc GR . . . .
H60B H 0.7989 0.0089 0.3123 0.151 Uiso 1 1 calc GR . . . .
H60C H 0.7860 0.0840 0.2360 0.151 Uiso 1 1 calc GR . . . .
C61 C 0.700(2) 0.744(3) 0.726(3) 0.115(5) Uiso 0.54(3) 1 d D . P B 1
H61 H 0.7541 0.7518 0.7193 0.138 Uiso 0.54(3) 1 calc R . P B 1
C61X C 0.7197(19) 0.732(3) 0.727(4) 0.115(5) Uiso 0.46(3) 1 d D . P B 2
H61X H 0.7740 0.7250 0.7210 0.138 Uiso 0.46(3) 1 calc R . P B 2
C62 C 0.5795(19) 0.798(3) 0.770(3) 0.115(5) Uiso 0.54(3) 1 d D . P B 1
H62A H 0.5545 0.8482 0.7405 0.172 Uiso 0.54(3) 1 d R . P B 1
H62B H 0.5638 0.7849 0.8252 0.172 Uiso 0.54(3) 1 d R . P B 1
H62C H 0.5640 0.7537 0.7516 0.172 Uiso 0.54(3) 1 d R . P B 1
C62X C 0.613(2) 0.810(3) 0.767(4) 0.115(5) Uiso 0.46(3) 1 d D . P B 2
H62D H 0.5703 0.7775 0.7622 0.172 Uiso 0.46(3) 1 d R . P B 2
H62E H 0.6108 0.8641 0.7291 0.172 Uiso 0.46(3) 1 d R . P B 2
H62F H 0.6100 0.8136 0.8198 0.172 Uiso 0.46(3) 1 d R . P B 2
C63 C 0.700(2) 0.8707(18) 0.755(2) 0.115(5) Uiso 0.54(3) 1 d D . P B 1
H63A H 0.7547 0.8684 0.7359 0.172 Uiso 0.54(3) 1 d R . P B 1
H63B H 0.6972 0.8730 0.8082 0.172 Uiso 0.54(3) 1 d R . P B 1
H63C H 0.6758 0.9190 0.7211 0.172 Uiso 0.54(3) 1 d R . P B 1
C63X C 0.743(3) 0.824(3) 0.799(2) 0.115(5) Uiso 0.46(3) 1 d D . P B 2
H63D H 0.7636 0.7727 0.8324 0.172 Uiso 0.46(3) 1 d R . P B 2
H63E H 0.7196 0.8550 0.8321 0.172 Uiso 0.46(3) 1 d R . P B 2
H63F H 0.7847 0.8552 0.7640 0.172 Uiso 0.46(3) 1 d R . P B 2
C64 C 0.9085(10) 0.3710(9) 0.3702(9) 0.059(4) Uani 1 1 d . . . . .
H64 H 0.9034 0.3390 0.3375 0.071 Uiso 1 1 calc R . . . .
C65 C 0.9824(11) 0.4022(12) 0.4653(10) 0.107(7) Uani 1 1 d . . . . .
H65A H 1.0330 0.4272 0.4468 0.160 Uiso 1 1 d R . . . .
H65B H 0.9831 0.3680 0.5198 0.160 Uiso 1 1 d R . . . .
H65C H 0.9429 0.4445 0.4612 0.160 Uiso 1 1 d R . . . .
C66 C 1.0199(15) 0.2835(12) 0.4193(14) 0.152(10) Uani 1 1 d . . . . .
H66A H 1.0128 0.2400 0.4692 0.229 Uiso 1 1 d R . . . .
H66B H 1.0727 0.3039 0.4120 0.229 Uiso 1 1 d R . . . .
H66C H 1.0110 0.2628 0.3769 0.229 Uiso 1 1 d R . . . .
O38 O 0.5768(5) 0.6751(4) 0.3807(4) 0.043(2) Uani 1 1 d . . . . .
N8 N 0.6348(6) 0.7937(5) 0.2980(5) 0.044(3) Uani 1 1 d . . . . .
C70 C 0.6142(12) 0.7405(11) 0.3715(10) 0.056(4) Uani 0.705(19) 1 d . . P C 1
H70 H 0.6277 0.7523 0.4160 0.067 Uiso 0.705(19) 1 calc R . P C 1
C70X C 0.595(3) 0.730(3) 0.302(3) 0.081(14) Uiso 0.295(19) 1 d . . P C 2
H70X H 0.5786 0.7206 0.2569 0.097 Uiso 0.295(19) 1 calc R . P C 2
C71 C 0.6833(12) 0.8647(10) 0.2952(10) 0.056(4) Uani 0.705(19) 1 d . . P C 1
H71A H 0.6530 0.9147 0.2772 0.084 Uiso 0.705(19) 1 calc GR . P C 1
H71B H 0.7293 0.8675 0.2591 0.084 Uiso 0.705(19) 1 calc GR . P C 1
H71C H 0.6989 0.8578 0.3473 0.084 Uiso 0.705(19) 1 calc GR . P C 1
C71X C 0.656(3) 0.845(3) 0.225(3) 0.081(14) Uiso 0.295(19) 1 d . . P C 2
H71D H 0.6712 0.8936 0.2353 0.121 Uiso 0.295(19) 1 d R . P C 2
H71E H 0.6156 0.8581 0.1891 0.121 Uiso 0.295(19) 1 d R . P C 2
H71F H 0.7014 0.8231 0.2013 0.121 Uiso 0.295(19) 1 d R . P C 2
C72 C 0.6178(12) 0.7807(11) 0.2309(10) 0.056(4) Uani 0.705(19) 1 d . . P C 1
H72A H 0.6650 0.7755 0.1990 0.084 Uiso 0.705(19) 1 d R . P C 1
H72B H 0.5871 0.8266 0.2015 0.084 Uiso 0.705(19) 1 d R . P C 1
H72C H 0.5877 0.7310 0.2447 0.084 Uiso 0.705(19) 1 d R . P C 1
C72X C 0.646(3) 0.808(3) 0.365(3) 0.081(14) Uiso 0.295(19) 1 d . . P C 2
H72D H 0.5972 0.7996 0.3976 0.121 Uiso 0.295(19) 1 d R . P C 2
H72E H 0.6630 0.8639 0.3540 0.121 Uiso 0.295(19) 1 d R . P C 2
H72F H 0.6852 0.7705 0.3914 0.121 Uiso 0.295(19) 1 d R . P C 2
O37 O 0.7888(16) 0.5739(14) 0.9532(13) 0.163(8) Uiso 0.75 1 d . . P . .
N7 N 0.8853(11) 0.5736(11) 1.0166(11) 0.079(5) Uiso 0.75 1 d . . P . .
C67 C 0.845(2) 0.609(2) 0.9559(18) 0.128(10) Uiso 0.75 1 d . . P . .
H67 H 0.8607 0.6589 0.9176 0.154 Uiso 0.75 1 calc R . P . .
C68 C 0.8561(16) 0.5067(15) 1.0870(14) 0.110(9) Uiso 0.75 1 d . . P . .
H68A H 0.8485 0.5276 1.1311 0.164 Uiso 0.75 1 d R . P . .
H68B H 0.8949 0.4632 1.0978 0.164 Uiso 0.75 1 d R . P . .
H68C H 0.8072 0.4856 1.0791 0.164 Uiso 0.75 1 d R . P . .
C69 C 0.962(2) 0.5997(19) 1.0205(18) 0.151(12) Uiso 0.75 1 d . . P . .
H69A H 0.9965 0.5955 0.9761 0.227 Uiso 0.75 1 d R . P . .
H69B H 0.9834 0.5673 1.0691 0.227 Uiso 0.75 1 d R . P . .
H69C H 0.9580 0.6564 1.0186 0.227 Uiso 0.75 1 d R . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 O1 2.296(6) . ?
Dy1 O3 2.408(6) . ?
Dy1 O8 2.512(6) . ?
Dy1 O9 2.237(8) . ?
Dy1 O11 2.467(7) . ?
Dy1 O13 2.261(7) . ?
Dy1 O15 2.322(7) . ?
Dy1 O35 2.416(8) . ?
Dy2 O1 2.276(6) . ?
Dy2 O2 2.377(6) . ?
Dy2 O8 2.612(6) . ?
Dy2 O19 2.443(8) . ?
Dy2 O21 2.197(7) . ?
Dy2 O27 2.318(7) . ?
Dy2 O31 2.320(10) . ?
Dy2 O32 2.389(7) . ?
Dy3 Dy5 3.9137(7) 2_666 ?
Dy3 Dy6 3.8942(7) 2_666 ?
Dy3 O1 2.344(7) . ?
Dy3 O2 2.451(7) . ?
Dy3 O3 2.420(6) . ?
Dy3 O4 2.335(6) . ?
Dy3 O5 2.343(6) . ?
Dy3 O11 2.478(6) . ?
Dy3 O19 2.478(6) . ?
Dy3 O23 2.547(7) . ?
Dy3 O24 2.481(7) . ?
Dy4 Dy3 3.9423(7) 2_666 ?
Dy4 O2 2.324(6) . ?
Dy4 O3 2.323(6) . ?
Dy4 O4 2.423(6) 2_666 ?
Dy4 O5 2.422(6) 2_666 ?
Dy4 O6 2.370(7) . ?
Dy4 O7 2.538(8) . ?
Dy4 O8 2.484(7) . ?
Dy4 O16 2.477(6) . ?
Dy4 O28 2.457(6) . ?
Dy5 O4 2.394(6) 2_666 ?
Dy5 O6 2.358(6) . ?
Dy5 O16 2.489(7) . ?
Dy5 O17 2.236(7) . ?
Dy5 O20 2.347(8) 2_666 ?
Dy5 O24 2.487(7) 2_666 ?
Dy5 O25 2.285(8) 2_666 ?
Dy5 O36 2.390(10) . ?
Dy6 O5 2.336(6) 2_666 ?
Dy6 O6 2.332(6) . ?
Dy6 O12 2.333(7) 2_666 ?
Dy6 O24 2.648(6) 2_666 ?
Dy6 O28 2.460(6) . ?
Dy6 O29 2.221(6) . ?
Dy6 O33 2.413(10) . ?
Dy6 O34 2.289(8) . ?
O1 H1 0.9798 . ?
O2 H2 0.9800 . ?
O3 H3 0.9800 . ?
O4 Dy4 2.423(6) 2_666 ?
O4 Dy5 2.394(6) 2_666 ?
O4 H4 0.9800 . ?
O5 Dy4 2.422(6) 2_666 ?
O5 Dy6 2.336(6) 2_666 ?
O5 H5 0.9800 . ?
O6 H6 0.9799 . ?
O7 C1 1.245(13) . ?
O8 C1 1.294(13) . ?
O9 C3 1.286(14) . ?
O10 C8 1.215(15) . ?
O11 C9 1.283(12) . ?
O12 Dy6 2.333(7) 2_666 ?
O12 C9 1.228(13) . ?
O13 C15 1.289(13) . ?
O14 C16 1.255(15) . ?
O15 C17 1.264(12) . ?
O16 C17 1.273(11) . ?
O17 C23 1.280(13) . ?
O18 C24 1.239(15) . ?
O19 C25 1.251(13) . ?
O20 Dy5 2.347(8) 2_666 ?
O20 C25 1.255(14) . ?
O21 C31 1.293(14) . ?
O22 C32 1.226(15) . ?
O23 C33 1.217(14) . ?
O24 Dy5 2.487(7) 2_666 ?
O24 Dy6 2.648(6) 2_666 ?
O24 C33 1.308(13) . ?
O25 Dy5 2.285(8) 2_666 ?
O25 C39 1.286(13) . ?
O26 C40 1.254(17) . ?
O27 C41 1.252(11) . ?
O28 C41 1.260(11) . ?
O29 C47 1.301(11) . ?
O30 C48 1.232(12) . ?
O31 C49 1.181(19) . ?
O32 C52 1.226(12) . ?
O33 C55 1.201(9) . ?
O33 C55X 1.202(10) . ?
O34 C58 1.221(14) . ?
O35 C61 1.15(2) . ?
O35 C61X 1.15(2) . ?
O36 C64 1.189(16) . ?
N1 C49 1.29(2) . ?
N1 C50 1.51(2) . ?
N1 C51 1.43(3) . ?
N2 C52 1.314(14) . ?
N2 C53 1.461(13) . ?
N2 C54 1.453(14) . ?
N3 C55 1.389(10) . ?
N3 C56 1.482(10) . ?
N3 C57 1.466(10) . ?
N3X C55X 1.403(10) . ?
N3X C56X 1.485(10) . ?
N3X C57X 1.492(10) . ?
N4 C58 1.314(17) . ?
N4 C59 1.459(19) . ?
N4 C60 1.478(16) . ?
N5 C61 1.30(2) . ?
N5 C62 1.420(18) . ?
N5 C63 1.430(18) . ?
N5X C61X 1.30(2) . ?
N5X C62X 1.425(18) . ?
N5X C63X 1.426(18) . ?
N6 C64 1.327(18) . ?
N6 C65 1.418(19) . ?
N6 C66 1.47(2) . ?
C1 C2 1.502(15) . ?
C2 C3 1.444(15) . ?
C2 C7 1.368(17) . ?
C3 C4 1.418(16) . ?
C4 C5 1.432(18) . ?
C4 C8 1.449(18) . ?
C5 H5A 0.9300 . ?
C5 C6 1.364(18) . ?
C6 H6A 0.9300 . ?
C6 C7 1.403(17) . ?
C7 H7 0.9300 . ?
C8 H8 0.9300 . ?
C9 C10 1.524(14) . ?
C10 C11 1.393(15) . ?
C10 C15 1.426(17) . ?
C11 H11 0.9300 . ?
C11 C12 1.372(14) . ?
C12 H12 0.9300 . ?
C12 C13 1.404(19) . ?
C13 H13 0.9300 . ?
C13 C14 1.420(18) . ?
C14 C15 1.436(14) . ?
C14 C16 1.459(19) . ?
C16 H16 0.9300 . ?
C17 C18 1.493(14) . ?
C18 C19 1.400(16) . ?
C18 C23 1.430(16) . ?
C19 H19 0.9300 . ?
C19 C20 1.404(16) . ?
C20 H20 0.9300 . ?
C20 C21 1.347(18) . ?
C21 H21 0.9300 . ?
C21 C22 1.360(17) . ?
C22 C23 1.453(15) . ?
C22 C24 1.400(19) . ?
C24 H24 0.9300 . ?
C25 C26 1.506(14) . ?
C26 C27 1.407(16) . ?
C26 C31 1.407(17) . ?
C27 H27 0.9300 . ?
C27 C28 1.371(17) . ?
C28 H28 0.9300 . ?
C28 C29 1.31(2) . ?
C29 H29 0.9300 . ?
C29 C30 1.41(2) . ?
C30 C31 1.454(14) . ?
C30 C32 1.44(2) . ?
C32 H32 0.9300 . ?
C33 C34 1.502(15) . ?
C34 C35 1.379(16) . ?
C34 C39 1.385(17) . ?
C35 H35 0.9300 . ?
C35 C36 1.411(17) . ?
C36 H36 0.9300 . ?
C36 C37 1.29(2) . ?
C37 H37 0.9300 . ?
C37 C38 1.436(18) . ?
C38 C39 1.419(16) . ?
C38 C40 1.38(2) . ?
C40 H40 0.9300 . ?
C41 C42 1.502(13) . ?
C42 C43 1.416(14) . ?
C42 C47 1.424(14) . ?
C43 H43 0.9300 . ?
C43 C44 1.367(15) . ?
C44 H44 0.9300 . ?
C44 C45 1.374(18) . ?
C45 H45 0.9300 . ?
C45 C46 1.397(15) . ?
C46 C47 1.425(13) . ?
C46 C48 1.427(16) . ?
C48 H48 0.9300 . ?
C49 H49 0.9300 . ?
C50 H50A 0.9601 . ?
C50 H50B 0.9601 . ?
C50 H50C 0.9599 . ?
C51 H51A 0.9603 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9601 . ?
C52 H52 0.9300 . ?
C53 H53A 0.9600 . ?
C53 H53B 0.9599 . ?
C53 H53C 0.9600 . ?
C54 H54A 0.9601 . ?
C54 H54B 0.9602 . ?
C54 H54C 0.9596 . ?
C55 H55 0.9300 . ?
C55X H55X 0.9300 . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9599 . ?
C56 H56C 0.9603 . ?
C56X H56D 0.9600 . ?
C56X H56E 0.9598 . ?
C56X H56F 0.9601 . ?
C57 H57A 0.9601 . ?
C57 H57B 0.9599 . ?
C57 H57C 0.9599 . ?
C57X H57D 0.9601 . ?
C57X H57E 0.9601 . ?
C57X H57F 0.9599 . ?
C58 H58 0.9300 . ?
C59 H59A 0.9599 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9599 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61 0.9300 . ?
C61X H61X 0.9300 . ?
C62 H62A 0.9599 . ?
C62 H62B 0.9601 . ?
C62 H62C 0.9603 . ?
C62X H62D 0.9601 . ?
C62X H62E 0.9600 . ?
C62X H62F 0.9600 . ?
C63 H63A 0.9601 . ?
C63 H63B 0.9598 . ?
C63 H63C 0.9600 . ?
C63X H63D 0.9598 . ?
C63X H63E 0.9602 . ?
C63X H63F 0.9602 . ?
C64 H64 0.9300 . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9599 . ?
C66 H66A 0.9599 . ?
C66 H66B 0.9599 . ?
C66 H66C 0.9600 . ?
O38 C70 1.266(18) . ?
O38 C70X 1.43(5) . ?
N8 C70 1.357(18) . ?
N8 C70X 1.29(5) . ?
N8 C71 1.478(18) . ?
N8 C71X 1.34(5) . ?
N8 C72 1.343(18) . ?
N8 C72X 1.32(5) . ?
C70 H70 0.9300 . ?
C70X H70X 0.9300 . ?
C71 H71A 0.9600 . ?
C71 H71B 0.9600 . ?
C71 H71C 0.9600 . ?
C71X H71D 0.9599 . ?
C71X H71E 0.9601 . ?
C71X H71F 0.9600 . ?
C72 H72A 0.9599 . ?
C72 H72B 0.9599 . ?
C72 H72C 0.9602 . ?
C72X H72D 0.9601 . ?
C72X H72E 0.9599 . ?
C72X H72F 0.9600 . ?
O37 C67 1.17(3) . ?
N7 C67 1.30(3) . ?
N7 C68 1.46(2) . ?
N7 C69 1.42(3) . ?
C67 H67 0.9300 . ?
C68 H68A 0.9599 . ?
C68 H68B 0.9599 . ?
C68 H68C 0.9599 . ?
C69 H69A 0.9601 . ?
C69 H69B 0.9598 . ?
C69 H69C 0.9599 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Dy1 O3 74.2(2) . . ?
O1 Dy1 O8 65.6(2) . . ?
O1 Dy1 O11 71.1(2) . . ?
O1 Dy1 O15 138.2(2) . . ?
O1 Dy1 O35 73.8(2) . . ?
O3 Dy1 O8 68.3(2) . . ?
O3 Dy1 O11 65.2(2) . . ?
O3 Dy1 O35 134.9(3) . . ?
O9 Dy1 O1 98.7(3) . . ?
O9 Dy1 O3 138.9(3) . . ?
O9 Dy1 O8 72.0(2) . . ?
O9 Dy1 O11 151.8(2) . . ?
O9 Dy1 O13 106.3(3) . . ?
O9 Dy1 O15 82.0(3) . . ?
O9 Dy1 O35 77.1(3) . . ?
O11 Dy1 O8 122.8(2) . . ?
O13 Dy1 O1 137.2(3) . . ?
O13 Dy1 O3 105.3(3) . . ?
O13 Dy1 O8 155.4(3) . . ?
O13 Dy1 O11 70.5(3) . . ?
O13 Dy1 O15 80.2(3) . . ?
O13 Dy1 O35 78.7(3) . . ?
O15 Dy1 O3 78.2(2) . . ?
O15 Dy1 O8 75.3(2) . . ?
O15 Dy1 O11 123.4(3) . . ?
O15 Dy1 O35 144.6(3) . . ?
O35 Dy1 O8 123.2(2) . . ?
O35 Dy1 O11 74.9(3) . . ?
O1 Dy2 O2 75.5(2) . . ?
O1 Dy2 O8 64.2(2) . . ?
O1 Dy2 O19 71.5(2) . . ?
O1 Dy2 O27 138.0(2) . . ?
O1 Dy2 O31 106.9(3) . . ?
O1 Dy2 O32 70.8(2) . . ?
O2 Dy2 O8 68.5(2) . . ?
O2 Dy2 O19 66.1(2) . . ?
O2 Dy2 O32 135.3(3) . . ?
O19 Dy2 O8 122.4(2) . . ?
O21 Dy2 O1 138.2(3) . . ?
O21 Dy2 O2 107.7(3) . . ?
O21 Dy2 O8 157.0(3) . . ?
O21 Dy2 O19 72.4(3) . . ?
O21 Dy2 O27 81.0(3) . . ?
O21 Dy2 O31 93.3(3) . . ?
O21 Dy2 O32 80.8(3) . . ?
O27 Dy2 O2 78.2(2) . . ?
O27 Dy2 O8 76.0(2) . . ?
O27 Dy2 O19 125.0(3) . . ?
O27 Dy2 O31 78.3(3) . . ?
O27 Dy2 O32 145.7(3) . . ?
O31 Dy2 O2 145.4(3) . . ?
O31 Dy2 O8 81.3(3) . . ?
O31 Dy2 O19 148.2(3) . . ?
O31 Dy2 O32 74.0(3) . . ?
O32 Dy2 O8 118.5(2) . . ?
O32 Dy2 O19 75.8(3) . . ?
Dy6 Dy3 Dy5 63.782(13) 2_666 2_666 ?
O1 Dy3 Dy5 136.11(15) . 2_666 ?
O1 Dy3 Dy6 135.70(16) . 2_666 ?
O1 Dy3 O2 72.8(2) . . ?
O1 Dy3 O3 73.2(2) . . ?
O1 Dy3 O11 70.2(2) . . ?
O1 Dy3 O19 69.7(2) . . ?
O1 Dy3 O23 70.5(3) . . ?
O1 Dy3 O24 122.0(2) . . ?
O2 Dy3 Dy5 107.48(16) . 2_666 ?
O2 Dy3 Dy6 148.35(14) . 2_666 ?
O2 Dy3 O11 124.3(2) . . ?
O2 Dy3 O19 64.5(2) . . ?
O2 Dy3 O23 130.6(2) . . ?
O2 Dy3 O24 144.3(2) . . ?
O3 Dy3 Dy5 148.66(15) . 2_666 ?
O3 Dy3 Dy6 105.14(16) . 2_666 ?
O3 Dy3 O2 65.6(2) . . ?
O3 Dy3 O11 64.8(2) . . ?
O3 Dy3 O19 124.2(2) . . ?
O3 Dy3 O23 129.8(2) . . ?
O3 Dy3 O24 146.6(2) . . ?
O4 Dy3 Dy5 34.63(15) . 2_666 ?
O4 Dy3 Dy6 76.70(16) . 2_666 ?
O4 Dy3 O1 145.0(2) . . ?
O4 Dy3 O2 81.0(2) . . ?
O4 Dy3 O3 116.5(2) . . ?
O4 Dy3 O5 68.7(2) . . ?
O4 Dy3 O11 144.8(2) . . ?
O4 Dy3 O19 78.3(2) . . ?
O4 Dy3 O23 113.2(2) . . ?
O4 Dy3 O24 69.9(2) . . ?
O5 Dy3 Dy5 76.48(15) . 2_666 ?
O5 Dy3 Dy6 33.61(15) . 2_666 ?
O5 Dy3 O1 144.4(2) . . ?
O5 Dy3 O2 116.5(2) . . ?
O5 Dy3 O3 80.0(2) . . ?
O5 Dy3 O11 77.5(2) . . ?
O5 Dy3 O19 145.9(2) . . ?
O5 Dy3 O23 112.7(2) . . ?
O5 Dy3 O24 72.0(2) . . ?
O11 Dy3 Dy5 128.05(17) . 2_666 ?
O11 Dy3 Dy6 69.66(17) . 2_666 ?
O11 Dy3 O19 132.4(2) . . ?
O11 Dy3 O23 70.9(2) . . ?
O11 Dy3 O24 91.1(2) . . ?
O19 Dy3 Dy5 71.43(18) . 2_666 ?
O19 Dy3 Dy6 130.57(19) . 2_666 ?
O19 Dy3 O23 72.4(2) . . ?
O19 Dy3 O24 89.1(2) . . ?
O23 Dy3 Dy5 78.96(19) . 2_666 ?
O23 Dy3 Dy6 79.41(19) . 2_666 ?
O24 Dy3 Dy5 38.07(15) . 2_666 ?
O24 Dy3 Dy6 42.23(14) . 2_666 ?
O24 Dy3 O23 51.5(2) . . ?
O2 Dy4 Dy3 95.46(17) . 2_666 ?
O2 Dy4 O4 117.6(2) . 2_666 ?
O2 Dy4 O5 80.2(2) . 2_666 ?
O2 Dy4 O6 143.1(2) . . ?
O2 Dy4 O7 112.6(2) . . ?
O2 Dy4 O8 71.6(2) . . ?
O2 Dy4 O16 146.5(2) . . ?
O2 Dy4 O28 76.1(2) . . ?
O3 Dy4 Dy3 94.82(17) . 2_666 ?
O3 Dy4 O2 69.1(2) . . ?
O3 Dy4 O4 80.7(2) . 2_666 ?
O3 Dy4 O5 116.2(2) . 2_666 ?
O3 Dy4 O6 146.3(2) . . ?
O3 Dy4 O7 113.8(2) . . ?
O3 Dy4 O8 70.1(2) . . ?
O3 Dy4 O16 78.9(2) . . ?
O3 Dy4 O28 144.1(2) . . ?
O4 Dy4 Dy3 33.34(14) 2_666 2_666 ?
O4 Dy4 O7 129.6(2) 2_666 . ?
O4 Dy4 O8 143.9(2) 2_666 . ?
O4 Dy4 O16 64.6(2) 2_666 . ?
O4 Dy4 O28 124.7(2) 2_666 . ?
O5 Dy4 Dy3 33.53(14) 2_666 2_666 ?
O5 Dy4 O4 66.00(19) 2_666 2_666 ?
O5 Dy4 O7 129.6(2) 2_666 . ?
O5 Dy4 O8 146.6(2) 2_666 . ?
O5 Dy4 O16 124.5(2) 2_666 . ?
O5 Dy4 O28 64.5(2) 2_666 . ?
O6 Dy4 Dy3 76.11(19) . 2_666 ?
O6 Dy4 O4 74.1(2) . 2_666 ?
O6 Dy4 O5 73.2(2) . 2_666 ?
O6 Dy4 O7 69.1(3) . . ?
O6 Dy4 O8 121.2(3) . . ?
O6 Dy4 O16 70.3(2) . . ?
O6 Dy4 O28 69.6(2) . . ?
O7 Dy4 Dy3 145.17(17) . 2_666 ?
O8 Dy4 Dy3 162.67(17) . 2_666 ?
O8 Dy4 O7 52.1(2) . . ?
O16 Dy4 Dy3 96.86(16) . 2_666 ?
O16 Dy4 O7 71.3(2) . . ?
O16 Dy4 O8 88.7(2) . . ?
O28 Dy4 Dy3 97.01(16) . 2_666 ?
O28 Dy4 O7 71.7(2) . . ?
O28 Dy4 O8 91.1(2) . . ?
O28 Dy4 O16 132.7(2) . . ?
O4 Dy5 O16 64.8(2) 2_666 . ?
O4 Dy5 O24 68.8(2) 2_666 2_666 ?
O6 Dy5 O4 74.8(2) . 2_666 ?
O6 Dy5 O16 70.3(2) . . ?
O6 Dy5 O24 65.9(2) . 2_666 ?
O6 Dy5 O36 74.2(3) . . ?
O17 Dy5 O4 101.1(3) . 2_666 ?
O17 Dy5 O6 139.2(3) . . ?
O17 Dy5 O16 71.4(2) . . ?
O17 Dy5 O20 76.2(3) . 2_666 ?
O17 Dy5 O24 151.4(3) . 2_666 ?
O17 Dy5 O25 109.2(3) . 2_666 ?
O17 Dy5 O36 82.0(3) . . ?
O20 Dy5 O4 79.7(2) 2_666 2_666 ?
O20 Dy5 O6 139.5(2) 2_666 . ?
O20 Dy5 O16 125.0(3) 2_666 . ?
O20 Dy5 O24 75.7(2) 2_666 2_666 ?
O20 Dy5 O36 142.8(3) 2_666 . ?
O24 Dy5 O16 122.3(2) 2_666 . ?
O25 Dy5 O4 138.7(2) 2_666 2_666 ?
O25 Dy5 O6 98.0(2) 2_666 . ?
O25 Dy5 O16 151.6(3) 2_666 . ?
O25 Dy5 O20 81.0(3) 2_666 2_666 ?
O25 Dy5 O24 71.2(2) 2_666 2_666 ?
O25 Dy5 O36 78.2(3) 2_666 . ?
O36 Dy5 O4 134.5(3) . 2_666 ?
O36 Dy5 O16 73.7(3) . . ?
O36 Dy5 O24 124.6(3) . 2_666 ?
O5 Dy6 O24 69.1(2) 2_666 2_666 ?
O5 Dy6 O28 65.7(2) 2_666 . ?
O5 Dy6 O33 138.0(3) 2_666 . ?
O6 Dy6 O5 75.5(2) . 2_666 ?
O6 Dy6 O12 137.5(2) . 2_666 ?
O6 Dy6 O24 63.6(2) . 2_666 ?
O6 Dy6 O28 70.2(2) . . ?
O6 Dy6 O33 81.7(3) . . ?
O12 Dy6 O5 83.9(2) 2_666 2_666 ?
O12 Dy6 O24 74.4(2) 2_666 2_666 ?
O12 Dy6 O28 132.9(2) 2_666 . ?
O12 Dy6 O33 134.2(3) 2_666 . ?
O28 Dy6 O24 121.2(2) . 2_666 ?
O29 Dy6 O5 93.3(3) . 2_666 ?
O29 Dy6 O6 141.2(2) . . ?
O29 Dy6 O12 75.7(3) . 2_666 ?
O29 Dy6 O24 146.6(3) . 2_666 ?
O29 Dy6 O28 71.4(2) . . ?
O29 Dy6 O33 82.7(3) . . ?
O29 Dy6 O34 111.1(3) . . ?
O33 Dy6 O24 129.4(3) . 2_666 ?
O33 Dy6 O28 73.6(3) . . ?
O34 Dy6 O5 144.9(2) . 2_666 ?
O34 Dy6 O6 97.6(2) . . ?
O34 Dy6 O12 78.6(3) . 2_666 ?
O34 Dy6 O24 77.0(2) . 2_666 ?
O34 Dy6 O28 145.0(3) . . ?
O34 Dy6 O33 72.2(3) . . ?
Dy1 O1 Dy3 101.3(2) . . ?
Dy1 O1 H1 109.4 . . ?
Dy2 O1 Dy1 124.8(3) . . ?
Dy2 O1 Dy3 101.1(2) . . ?
Dy2 O1 H1 109.4 . . ?
Dy3 O1 H1 109.4 . . ?
Dy2 O2 Dy3 95.3(2) . . ?
Dy2 O2 H2 112.0 . . ?
Dy3 O2 H2 112.0 . . ?
Dy4 O2 Dy2 113.3(3) . . ?
Dy4 O2 Dy3 111.2(2) . . ?
Dy4 O2 H2 112.1 . . ?
Dy1 O3 Dy3 96.0(2) . . ?
Dy1 O3 H3 111.8 . . ?
Dy3 O3 H3 111.7 . . ?
Dy4 O3 Dy1 112.4(3) . . ?
Dy4 O3 Dy3 112.3(2) . . ?
Dy4 O3 H3 111.8 . . ?
Dy3 O4 Dy4 111.9(2) . 2_666 ?
Dy3 O4 Dy5 111.7(2) . 2_666 ?
Dy3 O4 H4 111.7 . . ?
Dy4 O4 H4 111.8 2_666 . ?
Dy5 O4 Dy4 97.1(3) 2_666 2_666 ?
Dy5 O4 H4 111.8 2_666 . ?
Dy3 O5 Dy4 111.7(2) . 2_666 ?
Dy3 O5 H5 111.4 . . ?
Dy4 O5 H5 111.4 2_666 . ?
Dy6 O5 Dy3 112.7(2) 2_666 . ?
Dy6 O5 Dy4 97.6(2) 2_666 2_666 ?
Dy6 O5 H5 111.4 2_666 . ?
Dy4 O6 H6 111.0 . . ?
Dy5 O6 Dy4 99.6(2) . . ?
Dy5 O6 H6 111.0 . . ?
Dy6 O6 Dy4 99.2(2) . . ?
Dy6 O6 Dy5 123.2(3) . . ?
Dy6 O6 H6 111.0 . . ?
C1 O7 Dy4 92.2(7) . . ?
Dy1 O8 Dy2 104.5(3) . . ?
Dy4 O8 Dy1 103.8(2) . . ?
Dy4 O8 Dy2 100.8(2) . . ?
C1 O8 Dy1 119.5(6) . . ?
C1 O8 Dy2 128.7(6) . . ?
C1 O8 Dy4 93.4(6) . . ?
C3 O9 Dy1 137.9(7) . . ?
Dy1 O11 Dy3 93.0(2) . . ?
C9 O11 Dy1 138.7(7) . . ?
C9 O11 Dy3 127.9(7) . . ?
C9 O12 Dy6 137.2(7) . 2_666 ?
C15 O13 Dy1 133.0(7) . . ?
C17 O15 Dy1 140.2(7) . . ?
Dy4 O16 Dy5 93.3(2) . . ?
C17 O16 Dy4 127.5(6) . . ?
C17 O16 Dy5 137.2(6) . . ?
C23 O17 Dy5 142.2(7) . . ?
Dy2 O19 Dy3 92.9(2) . . ?
C25 O19 Dy2 138.4(7) . . ?
C25 O19 Dy3 128.5(8) . . ?
C25 O20 Dy5 140.5(7) . 2_666 ?
C31 O21 Dy2 139.4(8) . . ?
C33 O23 Dy3 93.4(7) . . ?
Dy3 O24 Dy5 104.0(2) . 2_666 ?
Dy3 O24 Dy6 98.7(2) . 2_666 ?
Dy5 O24 Dy6 106.9(3) 2_666 2_666 ?
C33 O24 Dy3 94.1(7) . . ?
C33 O24 Dy5 120.0(5) . 2_666 ?
C33 O24 Dy6 126.4(6) . 2_666 ?
C39 O25 Dy5 139.1(8) . 2_666 ?
C41 O27 Dy2 133.1(8) . . ?
Dy4 O28 Dy6 93.5(2) . . ?
C41 O28 Dy4 126.9(6) . . ?
C41 O28 Dy6 137.2(6) . . ?
C47 O29 Dy6 140.7(7) . . ?
C49 O31 Dy2 140.7(12) . . ?
C52 O32 Dy2 134.3(8) . . ?
C55 O33 Dy6 129.3(15) . . ?
C55X O33 Dy6 161(3) . . ?
C58 O34 Dy6 157.0(9) . . ?
C61 O35 Dy1 146(3) . . ?
C61X O35 Dy1 135(2) . . ?
C64 O36 Dy5 138.4(10) . . ?
C49 N1 C50 124(2) . . ?
C49 N1 C51 118.2(19) . . ?
C51 N1 C50 118(2) . . ?
C52 N2 C53 121.4(11) . . ?
C52 N2 C54 119.2(10) . . ?
C54 N2 C53 119.3(10) . . ?
C55 N3 C56 121.9(12) . . ?
C55 N3 C57 123.0(13) . . ?
C57 N3 C56 114(2) . . ?
C55X N3X C56X 123.2(9) . . ?
C55X N3X C57X 122.8(9) . . ?
C56X N3X C57X 114.0(11) . . ?
C58 N4 C59 119.5(12) . . ?
C58 N4 C60 120.3(14) . . ?
C59 N4 C60 120.3(13) . . ?
C61 N5 C62 122.1(15) . . ?
C61 N5 C63 121.4(15) . . ?
C62 N5 C63 115(3) . . ?
C61X N5X C62X 123.3(18) . . ?
C61X N5X C63X 122.8(18) . . ?
C62X N5X C63X 113(3) . . ?
C64 N6 C65 122.1(16) . . ?
C64 N6 C66 120.1(16) . . ?
C65 N6 C66 117.6(16) . . ?
O7 C1 O8 120.7(10) . . ?
O7 C1 C2 120.2(11) . . ?
O8 C1 C2 119.1(10) . . ?
C3 C2 C1 120.8(11) . . ?
C7 C2 C1 117.5(10) . . ?
C7 C2 C3 121.7(11) . . ?
O9 C3 C2 124.8(11) . . ?
O9 C3 C4 119.3(11) . . ?
C4 C3 C2 115.8(12) . . ?
C3 C4 C5 121.1(12) . . ?
C3 C4 C8 120.7(13) . . ?
C5 C4 C8 118.2(12) . . ?
C4 C5 H5A 119.8 . . ?
C6 C5 C4 120.4(13) . . ?
C6 C5 H5A 119.8 . . ?
C5 C6 H6A 120.2 . . ?
C5 C6 C7 119.6(13) . . ?
C7 C6 H6A 120.2 . . ?
C2 C7 C6 121.3(11) . . ?
C2 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
O10 C8 C4 126.1(15) . . ?
O10 C8 H8 117.0 . . ?
C4 C8 H8 117.0 . . ?
O11 C9 C10 116.2(11) . . ?
O12 C9 O11 123.6(9) . . ?
O12 C9 C10 120.2(10) . . ?
C11 C10 C9 116.5(12) . . ?
C11 C10 C15 120.7(10) . . ?
C15 C10 C9 122.7(10) . . ?
C10 C11 H11 117.7 . . ?
C12 C11 C10 124.7(12) . . ?
C12 C11 H11 117.7 . . ?
C11 C12 H12 122.6 . . ?
C11 C12 C13 114.8(11) . . ?
C13 C12 H12 122.6 . . ?
C12 C13 H13 117.8 . . ?
C12 C13 C14 124.4(11) . . ?
C14 C13 H13 117.8 . . ?
C13 C14 C15 118.7(12) . . ?
C13 C14 C16 122.9(11) . . ?
C15 C14 C16 118.4(12) . . ?
O13 C15 C10 126.1(10) . . ?
O13 C15 C14 117.3(12) . . ?
C10 C15 C14 116.6(11) . . ?
O14 C16 C14 121.2(15) . . ?
O14 C16 H16 119.4 . . ?
C14 C16 H16 119.4 . . ?
O15 C17 O16 120.8(9) . . ?
O15 C17 C18 118.7(9) . . ?
O16 C17 C18 120.4(10) . . ?
C19 C18 C17 116.4(10) . . ?
C19 C18 C23 120.3(10) . . ?
C23 C18 C17 123.2(10) . . ?
C18 C19 H19 119.4 . . ?
C18 C19 C20 121.3(12) . . ?
C20 C19 H19 119.4 . . ?
C19 C20 H20 120.2 . . ?
C21 C20 C19 119.5(12) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 119.4 . . ?
C20 C21 C22 121.2(11) . . ?
C22 C21 H21 119.4 . . ?
C21 C22 C23 123.1(12) . . ?
C21 C22 C24 117.7(11) . . ?
C24 C22 C23 119.2(12) . . ?
O17 C23 C18 125.1(9) . . ?
O17 C23 C22 120.3(11) . . ?
C18 C23 C22 114.6(11) . . ?
O18 C24 C22 128.7(15) . . ?
O18 C24 H24 115.7 . . ?
C22 C24 H24 115.7 . . ?
O19 C25 O20 123.4(10) . . ?
O19 C25 C26 118.3(12) . . ?
O20 C25 C26 118.2(10) . . ?
C27 C26 C25 117.1(12) . . ?
C27 C26 C31 118.6(10) . . ?
C31 C26 C25 124.2(10) . . ?
C26 C27 H27 118.1 . . ?
C28 C27 C26 123.8(14) . . ?
C28 C27 H27 118.1 . . ?
C27 C28 H28 120.8 . . ?
C29 C28 C27 118.3(14) . . ?
C29 C28 H28 120.8 . . ?
C28 C29 H29 118.3 . . ?
C28 C29 C30 123.4(13) . . ?
C30 C29 H29 118.3 . . ?
C29 C30 C31 119.1(15) . . ?
C29 C30 C32 123.5(12) . . ?
C32 C30 C31 117.4(13) . . ?
O21 C31 C26 125.0(9) . . ?
O21 C31 C30 118.2(12) . . ?
C26 C31 C30 116.7(12) . . ?
O22 C32 C30 124.9(16) . . ?
O22 C32 H32 117.6 . . ?
C30 C32 H32 117.6 . . ?
O23 C33 O24 119.8(10) . . ?
O23 C33 C34 123.1(11) . . ?
O24 C33 C34 117.0(12) . . ?
C35 C34 C33 115.5(12) . . ?
C35 C34 C39 120.7(12) . . ?
C39 C34 C33 123.8(10) . . ?
C34 C35 H35 118.2 . . ?
C34 C35 C36 123.7(14) . . ?
C36 C35 H35 118.2 . . ?
C35 C36 H36 122.3 . . ?
C37 C36 C35 115.5(14) . . ?
C37 C36 H36 122.3 . . ?
C36 C37 H37 117.7 . . ?
C36 C37 C38 124.6(14) . . ?
C38 C37 H37 117.7 . . ?
C39 C38 C37 119.1(13) . . ?
C40 C38 C37 119.9(14) . . ?
C40 C38 C39 120.9(13) . . ?
O25 C39 C34 122.7(11) . . ?
O25 C39 C38 120.9(12) . . ?
C34 C39 C38 116.3(11) . . ?
O26 C40 C38 125.8(17) . . ?
O26 C40 H40 117.1 . . ?
C38 C40 H40 117.1 . . ?
O27 C41 O28 121.3(9) . . ?
O27 C41 C42 118.5(8) . . ?
O28 C41 C42 120.2(9) . . ?
C43 C42 C41 116.7(9) . . ?
C43 C42 C47 120.3(9) . . ?
C47 C42 C41 122.7(8) . . ?
C42 C43 H43 119.5 . . ?
C44 C43 C42 121.0(11) . . ?
C44 C43 H43 119.5 . . ?
C43 C44 H44 120.5 . . ?
C43 C44 C45 118.9(12) . . ?
C45 C44 H44 120.5 . . ?
C44 C45 H45 118.5 . . ?
C44 C45 C46 122.9(11) . . ?
C46 C45 H45 118.5 . . ?
C45 C46 C47 119.2(11) . . ?
C45 C46 C48 120.1(10) . . ?
C47 C46 C48 120.5(10) . . ?
O29 C47 C42 123.9(8) . . ?
O29 C47 C46 118.7(9) . . ?
C42 C47 C46 117.4(9) . . ?
O30 C48 C46 126.6(11) . . ?
O30 C48 H48 116.7 . . ?
C46 C48 H48 116.7 . . ?
O31 C49 N1 126.0(19) . . ?
O31 C49 H49 117.0 . . ?
N1 C49 H49 117.0 . . ?
N1 C50 H50A 108.4 . . ?
N1 C50 H50B 110.5 . . ?
N1 C50 H50C 109.5 . . ?
H50A C50 H50B 109.4 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
N1 C51 H51A 110.2 . . ?
N1 C51 H51B 109.5 . . ?
N1 C51 H51C 108.8 . . ?
H51A C51 H51B 109.4 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O32 C52 N2 126.0(11) . . ?
O32 C52 H52 117.0 . . ?
N2 C52 H52 117.0 . . ?
N2 C53 H53A 110.3 . . ?
N2 C53 H53B 108.7 . . ?
N2 C53 H53C 109.4 . . ?
H53A C53 H53B 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N2 C54 H54A 108.8 . . ?
N2 C54 H54B 109.3 . . ?
N2 C54 H54C 110.3 . . ?
H54A C54 H54B 109.4 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
O33 C55 N3 120.8(16) . . ?
O33 C55 H55 119.6 . . ?
N3 C55 H55 119.6 . . ?
O33 C55X N3X 143(5) . . ?
O33 C55X H55X 108.7 . . ?
N3X C55X H55X 108.7 . . ?
N3 C56 H56A 110.1 . . ?
N3 C56 H56B 109.3 . . ?
N3 C56 H56C 109.1 . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
N3X C56X H56D 98.5 . . ?
N3X C56X H56E 111.4 . . ?
N3X C56X H56F 117.8 . . ?
H56D C56X H56E 109.5 . . ?
H56D C56X H56F 109.5 . . ?
H56E C56X H56F 109.5 . . ?
N3 C57 H57A 112.3 . . ?
N3 C57 H57B 108.5 . . ?
N3 C57 H57C 107.6 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
N3X C57X H57D 108.4 . . ?
N3X C57X H57E 118.8 . . ?
N3X C57X H57F 100.7 . . ?
H57D C57X H57E 109.5 . . ?
H57D C57X H57F 109.5 . . ?
H57E C57X H57F 109.5 . . ?
O34 C58 N4 124.7(14) . . ?
O34 C58 H58 117.7 . . ?
N4 C58 H58 117.7 . . ?
N4 C59 H59A 110.1 . . ?
N4 C59 H59B 107.4 . . ?
N4 C59 H59C 110.9 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N4 C60 H60A 109.5 . . ?
N4 C60 H60B 109.5 . . ?
N4 C60 H60C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O35 C61 N5 135(3) . . ?
O35 C61 H61 112.4 . . ?
N5 C61 H61 112.4 . . ?
O35 C61X N5X 127(3) . . ?
O35 C61X H61X 116.7 . . ?
N5X C61X H61X 116.7 . . ?
N5 C62 H62A 113.9 . . ?
N5 C62 H62B 111.6 . . ?
N5 C62 H62C 102.7 . . ?
H62A C62 H62B 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N5X C62X H62D 124.9 . . ?
N5X C62X H62E 101.8 . . ?
N5X C62X H62F 100.7 . . ?
H62D C62X H62E 109.5 . . ?
H62D C62X H62F 109.5 . . ?
H62E C62X H62F 109.5 . . ?
N5 C63 H63A 108.2 . . ?
N5 C63 H63B 109.4 . . ?
N5 C63 H63C 110.7 . . ?
H63A C63 H63B 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
N5X C63X H63D 96.8 . . ?
N5X C63X H63E 120.4 . . ?
N5X C63X H63F 110.3 . . ?
H63D C63X H63E 109.5 . . ?
H63D C63X H63F 109.5 . . ?
H63E C63X H63F 109.4 . . ?
O36 C64 N6 123.6(15) . . ?
O36 C64 H64 118.2 . . ?
N6 C64 H64 118.2 . . ?
N6 C65 H65A 108.7 . . ?
N6 C65 H65B 109.3 . . ?
N6 C65 H65C 110.4 . . ?
H65A C65 H65B 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N6 C66 H66A 110.8 . . ?
N6 C66 H66B 107.5 . . ?
N6 C66 H66C 110.2 . . ?
H66A C66 H66B 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C70 N8 C71 116.1(12) . . ?
C70X N8 C71X 116(4) . . ?
C70X N8 C72X 119(3) . . ?
C72 N8 C70 122.8(12) . . ?
C72 N8 C71 120.9(11) . . ?
C72X N8 C71X 125(3) . . ?
O38 C70 N8 121.4(15) . . ?
O38 C70 H70 119.3 . . ?
N8 C70 H70 119.3 . . ?
O38 C70X H70X 122.8 . . ?
N8 C70X O38 114(4) . . ?
N8 C70X H70X 122.8 . . ?
N8 C71 H71A 109.5 . . ?
N8 C71 H71B 109.5 . . ?
N8 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
N8 C71X H71D 102.5 . . ?
N8 C71X H71E 114.8 . . ?
N8 C71X H71F 110.9 . . ?
H71D C71X H71E 109.5 . . ?
H71D C71X H71F 109.5 . . ?
H71E C71X H71F 109.5 . . ?
N8 C72 H72A 111.2 . . ?
N8 C72 H72B 108.3 . . ?
N8 C72 H72C 108.9 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N8 C72X H72D 108.7 . . ?
N8 C72X H72E 111.0 . . ?
N8 C72X H72F 108.7 . . ?
H72D C72X H72E 109.5 . . ?
H72D C72X H72F 109.5 . . ?
H72E C72X H72F 109.5 . . ?
C67 N7 C68 125(2) . . ?
C67 N7 C69 121(2) . . ?
C69 N7 C68 114(2) . . ?
O37 C67 N7 115(3) . . ?
O37 C67 H67 122.7 . . ?
N7 C67 H67 122.7 . . ?
N7 C68 H68A 108.5 . . ?
N7 C68 H68B 108.5 . . ?
N7 C68 H68C 111.4 . . ?
H68A C68 H68B 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
N7 C69 H69A 110.6 . . ?
N7 C69 H69B 110.8 . . ?
N7 C69 H69C 106.9 . . ?
H69A C69 H69B 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?

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
Dy1 O8 C1 O7 -121.3(8) . . . . ?
Dy1 O8 C1 C2 60.6(10) . . . . ?
Dy1 O9 C3 C2 -2.6(16) . . . . ?
Dy1 O9 C3 C4 172.9(7) . . . . ?
Dy1 O11 C9 O12 -174.9(6) . . . . ?
Dy1 O11 C9 C10 6.2(13) . . . . ?
Dy1 O13 C15 C10 -40.2(17) . . . . ?
Dy1 O13 C15 C14 139.9(9) . . . . ?
Dy1 O15 C17 O16 -60.5(17) . . . . ?
Dy1 O15 C17 C18 116.5(10) . . . . ?
Dy1 O35 C61 N5 136(5) . . . . ?
Dy1 O35 C61X N5X 151(4) . . . . ?
Dy2 O8 C1 O7 93.5(10) . . . . ?
Dy2 O8 C1 C2 -84.6(10) . . . . ?
Dy2 O19 C25 O20 177.8(7) . . . . ?
Dy2 O19 C25 C26 -4.5(15) . . . . ?
Dy2 O21 C31 C26 20.2(18) . . . . ?
Dy2 O21 C31 C30 -164.4(8) . . . . ?
Dy2 O27 C41 O28 71.4(14) . . . . ?
Dy2 O27 C41 C42 -111.7(10) . . . . ?
Dy2 O31 C49 N1 -179.1(10) . . . . ?
Dy2 O32 C52 N2 165.0(10) . . . . ?
Dy3 O11 C9 O12 -4.7(13) . . . . ?
Dy3 O11 C9 C10 176.3(6) . . . . ?
Dy3 O19 C25 O20 -7.3(15) . . . . ?
Dy3 O19 C25 C26 170.4(6) . . . . ?
Dy3 O23 C33 O24 -11.0(9) . . . . ?
Dy3 O23 C33 C34 172.4(8) . . . . ?
Dy3 O24 C33 O23 11.3(10) . . . . ?
Dy3 O24 C33 C34 -171.9(7) . . . . ?
Dy4 O7 C1 O8 13.0(9) . . . . ?
Dy4 O7 C1 C2 -168.9(8) . . . . ?
Dy4 O8 C1 O7 -13.3(9) . . . . ?
Dy4 O8 C1 C2 168.6(8) . . . . ?
Dy4 O16 C17 O15 21.8(16) . . . . ?
Dy4 O16 C17 C18 -155.1(8) . . . . ?
Dy4 O28 C41 O27 -29.6(15) . . . . ?
Dy4 O28 C41 C42 153.6(8) . . . . ?
Dy5 O16 C17 O15 -179.1(7) . . . . ?
Dy5 O16 C17 C18 4.0(17) . . . . ?
Dy5 O17 C23 C18 -6(2) . . . . ?
Dy5 O17 C23 C22 175.0(9) . . . . ?
Dy5 O20 C25 O19 46.7(17) 2_666 . . . ?
Dy5 O20 C25 C26 -131.0(9) 2_666 . . . ?
Dy5 O24 C33 O23 120.0(8) 2_666 . . . ?
Dy5 O24 C33 C34 -63.2(10) 2_666 . . . ?
Dy5 O25 C39 C34 6.4(19) 2_666 . . . ?
Dy5 O25 C39 C38 -172.4(8) 2_666 . . . ?
Dy5 O36 C64 N6 -154.5(10) . . . . ?
Dy6 O12 C9 O11 -45.3(14) 2_666 . . . ?
Dy6 O12 C9 C10 133.7(8) 2_666 . . . ?
Dy6 O24 C33 O23 -92.7(11) 2_666 . . . ?
Dy6 O24 C33 C34 84.1(10) 2_666 . . . ?
Dy6 O28 C41 O27 173.0(7) . . . . ?
Dy6 O28 C41 C42 -3.9(17) . . . . ?
Dy6 O29 C47 C42 16(2) . . . . ?
Dy6 O29 C47 C46 -163.6(10) . . . . ?
Dy6 O33 C55 N3 138(2) . . . . ?
Dy6 O33 C55X N3X -136(7) . . . . ?
Dy6 O34 C58 N4 -163.1(14) . . . . ?
O7 C1 C2 C3 157.3(9) . . . . ?
O7 C1 C2 C7 -24.0(14) . . . . ?
O8 C1 C2 C3 -24.6(14) . . . . ?
O8 C1 C2 C7 154.2(10) . . . . ?
O9 C3 C4 C5 -172.3(10) . . . . ?
O9 C3 C4 C8 9.4(16) . . . . ?
O11 C9 C10 C11 -165.9(9) . . . . ?
O11 C9 C10 C15 13.1(14) . . . . ?
O12 C9 C10 C11 15.1(14) . . . . ?
O12 C9 C10 C15 -165.9(10) . . . . ?
O15 C17 C18 C19 2.7(17) . . . . ?
O15 C17 C18 C23 -176.4(11) . . . . ?
O16 C17 C18 C19 179.7(12) . . . . ?
O16 C17 C18 C23 0.6(18) . . . . ?
O19 C25 C26 C27 -177.9(9) . . . . ?
O19 C25 C26 C31 -1.9(15) . . . . ?
O20 C25 C26 C27 0.0(14) . . . . ?
O20 C25 C26 C31 175.9(10) . . . . ?
O23 C33 C34 C35 27.2(16) . . . . ?
O23 C33 C34 C39 -151.0(12) . . . . ?
O24 C33 C34 C35 -149.5(10) . . . . ?
O24 C33 C34 C39 32.3(16) . . . . ?
O27 C41 C42 C43 -2.2(18) . . . . ?
O27 C41 C42 C47 171.4(11) . . . . ?
O28 C41 C42 C43 174.7(12) . . . . ?
O28 C41 C42 C47 -11.7(18) . . . . ?
C1 C2 C3 O9 -9.2(15) . . . . ?
C1 C2 C3 C4 175.1(9) . . . . ?
C1 C2 C7 C6 -177.0(10) . . . . ?
C2 C3 C4 C5 3.7(15) . . . . ?
C2 C3 C4 C8 -174.6(10) . . . . ?
C3 C2 C7 C6 1.8(17) . . . . ?
C3 C4 C5 C6 -1.9(17) . . . . ?
C3 C4 C8 O10 -176.3(12) . . . . ?
C4 C5 C6 C7 -0.2(19) . . . . ?
C5 C4 C8 O10 5(2) . . . . ?
C5 C6 C7 C2 0.2(19) . . . . ?
C7 C2 C3 O9 172.0(10) . . . . ?
C7 C2 C3 C4 -3.7(15) . . . . ?
C8 C4 C5 C6 176.4(11) . . . . ?
C9 C10 C11 C12 177.8(11) . . . . ?
C9 C10 C15 O13 1.8(17) . . . . ?
C9 C10 C15 C14 -178.3(10) . . . . ?
C10 C11 C12 C13 0.3(18) . . . . ?
C11 C10 C15 O13 -179.2(11) . . . . ?
C11 C10 C15 C14 0.6(16) . . . . ?
C11 C12 C13 C14 1(2) . . . . ?
C12 C13 C14 C15 -1(2) . . . . ?
C12 C13 C14 C16 -179.4(14) . . . . ?
C13 C14 C15 O13 -179.6(11) . . . . ?
C13 C14 C15 C10 0.6(17) . . . . ?
C13 C14 C16 O14 -4(3) . . . . ?
C15 C10 C11 C12 -1.2(18) . . . . ?
C15 C14 C16 O14 177.8(15) . . . . ?
C16 C14 C15 O13 -1.5(18) . . . . ?
C16 C14 C15 C10 178.6(12) . . . . ?
C17 C18 C19 C20 -178.6(13) . . . . ?
C17 C18 C23 O17 0(2) . . . . ?
C17 C18 C23 C22 178.7(11) . . . . ?
C18 C19 C20 C21 0(3) . . . . ?
C19 C18 C23 O17 -179.1(13) . . . . ?
C19 C18 C23 C22 -0.3(18) . . . . ?
C19 C20 C21 C22 0(3) . . . . ?
C20 C21 C22 C23 1(2) . . . . ?
C20 C21 C22 C24 -178.0(16) . . . . ?
C21 C22 C23 O17 178.7(13) . . . . ?
C21 C22 C23 C18 -0.2(19) . . . . ?
C21 C22 C24 O18 -1(3) . . . . ?
C23 C18 C19 C20 0(2) . . . . ?
C23 C22 C24 O18 -179.3(17) . . . . ?
C24 C22 C23 O17 -3(2) . . . . ?
C24 C22 C23 C18 178.3(13) . . . . ?
C25 C26 C27 C28 179.4(12) . . . . ?
C25 C26 C31 O21 -4.5(17) . . . . ?
C25 C26 C31 C30 -180.0(9) . . . . ?
C26 C27 C28 C29 0(2) . . . . ?
C27 C26 C31 O21 171.4(10) . . . . ?
C27 C26 C31 C30 -4.1(15) . . . . ?
C27 C28 C29 C30 -2(3) . . . . ?
C28 C29 C30 C31 0(2) . . . . ?
C28 C29 C30 C32 179.2(16) . . . . ?
C29 C30 C31 O21 -173.4(11) . . . . ?
C29 C30 C31 C26 2.4(16) . . . . ?
C29 C30 C32 O22 4(3) . . . . ?
C31 C26 C27 C28 3.3(18) . . . . ?
C31 C30 C32 O22 -177.5(15) . . . . ?
C32 C30 C31 O21 7.9(17) . . . . ?
C32 C30 C31 C26 -176.3(12) . . . . ?
C33 C34 C35 C36 179.9(12) . . . . ?
C33 C34 C39 O25 0.1(19) . . . . ?
C33 C34 C39 C38 179.0(11) . . . . ?
C34 C35 C36 C37 3(2) . . . . ?
C35 C34 C39 O25 -178.0(11) . . . . ?
C35 C34 C39 C38 1.0(18) . . . . ?
C35 C36 C37 C38 -4(2) . . . . ?
C36 C37 C38 C39 3(2) . . . . ?
C36 C37 C38 C40 -172.9(17) . . . . ?
C37 C38 C39 O25 177.4(12) . . . . ?
C37 C38 C39 C34 -1.5(18) . . . . ?
C37 C38 C40 O26 -7(3) . . . . ?
C39 C34 C35 C36 -2(2) . . . . ?
C39 C38 C40 O26 176.8(16) . . . . ?
C40 C38 C39 O25 -7(2) . . . . ?
C40 C38 C39 C34 174.6(14) . . . . ?
C41 C42 C43 C44 177.0(14) . . . . ?
C41 C42 C47 O29 8(2) . . . . ?
C41 C42 C47 C46 -172.6(11) . . . . ?
C42 C43 C44 C45 -5(3) . . . . ?
C43 C42 C47 O29 -179.1(13) . . . . ?
C43 C42 C47 C46 0.8(19) . . . . ?
C43 C44 C45 C46 2(3) . . . . ?
C44 C45 C46 C47 2(2) . . . . ?
C44 C45 C46 C48 -174.6(15) . . . . ?
C45 C46 C47 O29 176.6(13) . . . . ?
C45 C46 C47 C42 -3(2) . . . . ?
C45 C46 C48 O30 -3(2) . . . . ?
C47 C42 C43 C44 3(2) . . . . ?
C47 C46 C48 O30 -179.4(13) . . . . ?
C48 C46 C47 O29 -7(2) . . . . ?
C48 C46 C47 C42 173.2(12) . . . . ?
C50 N1 C49 O31 -178.2(15) . . . . ?
C51 N1 C49 O31 2(2) . . . . ?
C53 N2 C52 O32 -178.4(13) . . . . ?
C54 N2 C52 O32 -2(2) . . . . ?
C56 N3 C55 O33 -179(2) . . . . ?
C56X N3X C55X O33 101(9) . . . . ?
C57 N3 C55 O33 -12(4) . . . . ?
C57X N3X C55X O33 -77(9) . . . . ?
C59 N4 C58 O34 -1(2) . . . . ?
C60 N4 C58 O34 178.5(12) . . . . ?
C62 N5 C61 O35 0(10) . . . . ?
C62X N5X C61X O35 -2(9) . . . . ?
C63 N5 C61 O35 -164(6) . . . . ?
C63X N5X C61X O35 163(5) . . . . ?
C65 N6 C64 O36 -5(2) . . . . ?
C66 N6 C64 O36 179.8(15) . . . . ?
C71 N8 C70 O38 -175.7(17) . . . . ?
C71X N8 C70X O38 177(4) . . . . ?
C72 N8 C70 O38 0(3) . . . . ?
C72X N8 C70X O38 -9(6) . . . . ?
C68 N7 C67 O37 -14(4) . . . . ?
C69 N7 C67 O37 168(3) . . . . ?

_olex2_date_sample_data_collection 2016-01-11
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.749
_oxdiff_exptl_absorpt_empirical_full_min 0.762
####################################################################### 
# 
# 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_shi_3524_didr
_database_code_depnum_ccdc_archive 'CCDC 1825561'
_audit_update_record             
;
2018-02-24 deposited with the CCDC.
2018-12-26 downloaded from the CCDC.
;
_audit_creation_date             2018-02-24
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C132 H144 Gd12 N12 O72, 3(C3 H7 N O)'
_chemical_formula_sum            'C141 H165 Gd12 N15 O75'
_chemical_formula_weight         5156.88
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C30 H30 N4 O8 Dy2'
_chemical_oxdiff_usercomment     ???
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'

_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_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   17.2373(12)
_cell_length_b                   17.2380(11)
_cell_length_c                   17.9087(9)
_cell_angle_alpha                71.244(5)
_cell_angle_beta                 84.760(5)
_cell_angle_gamma                87.213(5)
_cell_volume                     5016.6(5)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    7809
_cell_measurement_temperature    200.00(10)
_cell_measurement_theta_max      30.4240
_cell_measurement_theta_min      1.6280
_exptl_absorpt_coefficient_mu    3.988
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.46290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2484
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.05
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0883
_diffrn_reflns_av_unetI/netI     0.1274
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            33305
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_diffrn_reflns_theta_min         1.62
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      200.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 8.0797
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     -1.00  89.00   1.00   30.00    --   26.19  77.00   0.00   90
  2  ω     -1.00  94.00   1.00   30.00    --   26.19  77.00  90.00   95
  3  ω    -25.00  10.00   1.00   30.00    --   26.19 -99.00-150.00   35
  4  ω     12.00  39.00   1.00   30.00    --   26.19 -99.00-150.00   27
  5  ω     22.00  65.00   1.00   30.00    --   26.19 -99.00 -90.00   43
  6  ω    -43.00  35.00   1.00   30.00    --   26.19 -38.00-150.00   78
  7  ω    -41.00   4.00   1.00   30.00    --   26.19 -77.00 -30.00   45
  8  ω    -72.00  -3.00   1.00   30.00    --  -23.85 -77.00 150.00   69
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0106825000
_diffrn_orient_matrix_UB_12      0.0054921000
_diffrn_orient_matrix_UB_13      -0.0405425000
_diffrn_orient_matrix_UB_21      -0.0334819000
_diffrn_orient_matrix_UB_22      0.0254513000
_diffrn_orient_matrix_UB_23      -0.0105007000
_diffrn_orient_matrix_UB_31      0.0217478000
_diffrn_orient_matrix_UB_32      0.0348023000
_diffrn_orient_matrix_UB_33      -0.0026300000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                9935
_reflns_number_total             14368
_reflns_odcompleteness_completeness 99.99
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         3.561
_refine_diff_density_min         -2.556
_refine_diff_density_rms         0.284
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1084
_refine_ls_number_reflns         14368
_refine_ls_number_restraints     112
_refine_ls_R_factor_all          0.1185
_refine_ls_R_factor_gt           0.0805
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0810P)²+82.7804P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1812
_refine_ls_wR_factor_ref         0.2111
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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
 C49X-C51X
 2.45 with sigma of 0.01
 C49X-C50X
 2.45 with sigma of 0.01
 C51-C50
 2.45 with sigma of 0.01
 C51X-C50X
 2.45 with sigma of 0.01
 C51-C49
 2.45 with sigma of 0.01
 C49-C50
 2.45 with sigma of 0.01
 O31-C49 = O31-C49X
 1.2 with sigma of 0.01
 N1-C49 = N1X-C49X
 1.4 with sigma of 0.01
 O34-C58X \\sim O34-C58
 with sigma of 0.01
 N4-C58 \\sim N4X-C58X
 with sigma of 0.01
 N4-C60 \\sim N4-C59 \\sim N4X-C60X \\sim N4X-C59X
 with sigma of 0.01
 C59X-C58X \\sim C58X-C60X
 with sigma of 0.01
 C59-C58 \\sim C58-C60
 with sigma of 0.01
 N1-C50 \\sim N1-C51 \\sim N1X-C51X \\sim N1X-C50X
 with sigma of 0.01
 C51X-C49X \\sim C49X-C50X
 with sigma of 0.01
 C70-O37 \\sim C70X-O37X
 with sigma of 0.01
 C70-N8 \\sim C70X-N8X
 with sigma of 0.01
 C72X-C70X \\sim C70X-C71X
 with sigma of 0.01
 O31-C49X \\sim O31-C49
 with sigma of 0.01
 N1-C49 \\sim N1X-C49X
 with sigma of 0.01
 C51-C49 \\sim C49-C50
 with sigma of 0.01
 N8X-C72X \\sim N8-C72 \\sim N8-C71 \\sim N8X-C71X
 with sigma of 0.01
 C72-C70 \\sim C70-C71
 with sigma of 0.01
 O33-C55X \\sim O33-C55
 with sigma of 0.01
 N3X-C55X \\sim N3-C55
 with sigma of 0.01
 N3X-C57X \\sim N3-C56 \\sim N3X-C56X \\sim N3-C57
 with sigma of 0.01
 C56-C55 \\sim C55-C57
 with sigma of 0.01
 C57X-C55X \\sim C55X-C56X
 with sigma of 0.01
3. Restrained planarity
 N4X, C58X, C59X, C60X
 with sigma of 0.1
 N4, C58, C59, C60
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C17) \\sim Ueq, Uanis(C39) \\sim Ueq, Uanis(C42) \\sim Ueq, Uanis(O35)
\\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C34) \\sim Ueq,
Uanis(O36) \\sim Ueq, Uanis(C48) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C10) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uiso(C58X) = Uiso(C58) = Uiso(N4) = Uiso(C60) = Uiso(C60X) = Uiso(C59) =
Uiso(N4X) = Uiso(C59X)
Uiso(C49) = Uiso(C49X) = Uiso(N1X) = Uiso(C51X) = Uiso(C51) = Uiso(C50X) =
Uiso(C50)
Uiso(C70X) = Uiso(C70) = Uiso(O37) = Uiso(O37X) = Uiso(N8X) = Uiso(C71X) =
Uiso(C72X) = Uiso(N8) = Uiso(C71) = Uiso(C72)
Uanis(C57X) = Uanis(C56) = Uanis(N3X) = Uanis(N3) = Uanis(C56X) = Uanis(C57) =
Uanis(C55) = Uanis(C55X)
5. Others
 Fixed Sof: N1(0.5) N3X(0.5) N4(0.5) C49(0.5) H49(0.5) C50(0.5) H50A(0.5)
 H50B(0.5) H50C(0.5) C51(0.5) H51A(0.5) H51B(0.5) H51C(0.5) C55X(0.5) H55X(0.5)
 C56X(0.5) H56A(0.5) H56B(0.5) H56C(0.5) C57X(0.5) H57A(0.5) H57B(0.5)
 H57C(0.5) C58(0.5) H58(0.5) C59(0.5) H59A(0.5) H59B(0.5) H59C(0.5) C60(0.5)
 H60A(0.5) H60B(0.5) H60C(0.5) N1X(0.5) N3(0.5) N4X(0.5) C49X(0.5) H49X(0.5)
 C50X(0.5) H50D(0.5) H50E(0.5) H50F(0.5) C51X(0.5) H51D(0.5) H51E(0.5)
 H51F(0.5) C55(0.5) H55(0.5) C56(0.5) H56D(0.5) H56E(0.5) H56F(0.5) C57(0.5)
 H57D(0.5) H57E(0.5) H57F(0.5) C58X(0.5) H58X(0.5) C59X(0.5) H59D(0.5)
 H59E(0.5) H59F(0.5) C60X(0.5) H60D(0.5) H60E(0.5) H60F(0.5) O37X(0.25)
 N8X(0.25) C70X(0.25) H70X(0.25) C71X(0.25) H71A(0.25) H71B(0.25) H71C(0.25)
 C72X(0.25) H72A(0.25) H72B(0.25) H72C(0.25) O37(0.25) N8(0.25) C70(0.25)
 H70(0.25) C71(0.25) H71D(0.25) H71E(0.25) H71F(0.25) C72(0.25) H72D(0.25)
 H72E(0.25) H72F(0.25)
6.a Riding coordinates:
 C62(H62A,H62B,H62C), C63(H63A,H63B,H63C), C65(H65A,H65B,H65C), C51(H51A,H51B,
 H51C), C56X(H56A,H56B,H56C), C57X(H57A,H57B,H57C), C59(H59A,H59B,H59C),
 C50X(H50D,H50E,H50F), C51X(H51D,H51E,H51F), C56(H56D,H56E,H56F), C57(H57D,H57E,
 H57F), C59X(H59D,H59E,H59F), C72X(H72A,H72B,H72C), C69(H69A,H69B,H69C),
 C71(H71D,H71E,H71F), C72(H72D,H72E,H72F)
6.b Ternary CH refined with riding coordinates:
 O1(H1), O2(H2), O3(H3), O4(H4), O5(H5), O6(H6)
6.c Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4A), C5(H5A), C8(H8), C11(H11), C12(H12), C13(H13), C16(H16),
 C19(H19), C20(H20), C21(H21), C24(H24), C27(H27), C28(H28), C29(H29), C32(H32),
  C35(H35), C36(H36), C37(H37), C40(H40), C43(H43), C44(H44), C45(H45),
 C48(H48), C52(H52), C61(H61), C64(H64), C49(H49), C55X(H55X), C58(H58),
 C49X(H49X), C55(H55), C58X(H58X), C70X(H70X), C67(H67), C70(H70)
6.d Idealised Me refined as rotating group:
 C53(H53A,H53B,H53C), C54(H54A,H54B,H54C), C66(H66A,H66B,H66C), C50(H50A,H50B,
 H50C), C60(H60A,H60B,H60C), C60X(H60D,H60E,H60F), C71X(H71A,H71B,H71C),
 C68(H68A,H68B,H68C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Gd1 Gd 0.70052(5) 0.61928(5) 0.10733(5) 0.0237(2) Uani 1 d . . . .
Gd2 Gd 0.65182(5) 0.43554(5) 0.03208(5) 0.0209(2) Uani 1 d . . . .
Gd3 Gd 0.60781(6) 0.40645(5) 0.26045(5) 0.0245(2) Uani 1 d . . . .
Gd4 Gd 0.49691(5) 0.56520(5) 0.12588(5) 0.0205(2) Uani 1 d . . . .
Gd5 Gd 0.36738(5) 0.75298(5) 0.01314(5) 0.0231(2) Uani 1 d . . . .
Gd6 Gd 0.26834(5) 0.54031(5) 0.17028(5) 0.0237(2) Uani 1 d . . . .
O1 O 0.6044(7) 0.5471(6) 0.2028(6) 0.024(3) Uani 1 d . . . .
H1 H 0.5935 0.5736 0.2437 0.029 Uiso 1 calc . . R .
O1AA O 0.3072(8) 0.8191(7) 0.0982(7) 0.036(3) Uani 1 d . . . .
O2 O 0.6142(7) 0.5671(6) 0.0362(6) 0.027(3) Uani 1 d . . . .
H2 H 0.6081 0.6056 -0.0169 0.032 Uiso 1 calc . . R .
O3 O 0.5534(7) 0.4279(6) 0.1366(6) 0.024(3) Uani 1 d . . . .
H3 H 0.5136 0.3879 0.1403 0.029 Uiso 1 calc . . R .
O4 O 0.4472(7) 0.6393(6) 0.0054(6) 0.026(3) Uani 1 d . . . .
H4 H 0.4893 0.6564 -0.0368 0.031 Uiso 1 calc . . R .
O5 O 0.3864(7) 0.5024(6) 0.1047(6) 0.025(3) Uani 1 d . . . .
H5 H 0.3935 0.4428 0.1187 0.030 Uiso 1 calc . . R .
O6 O 0.2818(7) 0.6429(6) 0.0434(6) 0.023(3) Uani 1 d . . . .
H6 H 0.2307 0.6620 0.0240 0.028 Uiso 1 calc . . R .
O7 O 0.7862(8) 0.3890(7) 0.0816(7) 0.037(3) Uani 1 d . . . .
O8 O 0.7139(6) 0.4643(7) 0.1414(6) 0.024(3) Uani 1 d . . . .
O9 O 0.8050(7) 0.5751(7) 0.1782(7) 0.030(3) Uani 1 d . . . .
O10 O 0.9831(10) 0.5898(11) 0.3014(11) 0.078(5) Uani 1 d . . . .
O11 O 0.4771(8) 0.7873(7) 0.0652(7) 0.033(3) Uani 1 d . . . .
O12 O 0.5729(7) 0.6936(7) 0.0846(7) 0.032(3) Uani 1 d . . . .
O13 O 0.7170(8) 0.7510(7) 0.0315(8) 0.042(3) Uani 1 d . . . .
O14 O 0.8635(12) 0.9360(12) -0.0230(16) 0.120(9) Uani 1 d . . . .
O15 O 0.3448(7) 0.4784(7) 0.2776(6) 0.027(3) Uani 1 d . . . .
O16 O 0.4722(7) 0.4567(7) 0.2564(7) 0.028(3) Uani 1 d . . . .
O17 O 0.5346(8) 0.3153(8) 0.3525(7) 0.045(4) Uani 1 d . . . .
O18 O 0.5139(14) 0.1199(12) 0.5433(11) 0.111(8) Uani 1 d . . . .
O19 O 0.3460(8) 0.7095(7) -0.2288(7) 0.035(3) Uani 1 d . . . .
O20 O 0.3524(7) 0.7132(7) -0.1050(6) 0.028(3) Uani 1 d . . . .
O21 O 0.4325(9) 0.8414(7) -0.0928(7) 0.040(4) Uani 1 d . . . .
O22 O 0.5509(10) 1.0458(8) -0.1936(9) 0.064(5) Uani 1 d . . . .
O23 O 0.4675(9) 0.6362(7) 0.2310(7) 0.037(3) Uani 1 d . . . .
O24 O 0.3746(7) 0.6417(7) 0.1532(6) 0.027(3) Uani 1 d . . . .
O25 O 0.2322(7) 0.6239(7) 0.2449(7) 0.033(3) Uani 1 d . . . .
O26 O 0.0898(12) 0.7255(13) 0.3800(12) 0.102(7) Uani 1 d . . . .
O27 O 0.2155(7) 0.4017(7) -0.0056(7) 0.034(3) Uani 1 d . . . .
O28 O 0.2477(7) 0.4788(6) 0.0658(6) 0.025(3) Uani 1 d . . . .
O29 O 0.2132(8) 0.4149(8) 0.2263(7) 0.047(4) Uani 1 d . . . .
O30 O 0.1248(15) 0.2378(12) 0.4133(11) 0.110(8) Uani 1 d . . . .
O31 O 0.6856(9) 0.6875(7) 0.2062(8) 0.048(4) Uani 1 d . . D .
O32 O 0.5903(9) 0.4719(8) 0.3621(7) 0.048(4) Uani 1 d . . . .
O33 O 0.7185(9) 0.3703(9) 0.3304(8) 0.050(4) Uani 1 d . . D .
O34 O 0.2536(9) 0.8269(8) -0.0479(8) 0.051(4) Uani 1 d . . D .
O35 O 0.1366(9) 0.5790(9) 0.1345(8) 0.051(4) Uani 1 d . . . U
N2 N 0.6030(12) 0.4990(10) 0.4758(9) 0.056(5) Uani 1 d . . . .
N5 N 0.2393(11) 0.8909(11) 0.1674(11) 0.052(5) Uani 1 d . . . .
N6 N 0.0287(14) 0.6473(17) 0.0809(14) 0.088(8) Uani 1 d . . . .
C1 C 0.7807(10) 0.4306(10) 0.1282(11) 0.029(4) Uani 1 d . . . .
C2 C 0.8517(13) 0.4429(11) 0.1661(12) 0.041(5) Uani 1 d . . . .
C3 C 0.9103(11) 0.3874(13) 0.1731(12) 0.040(5) Uani 1 d . . . .
H3A H 0.9060 0.3449 0.1524 0.048 Uiso 1 calc . . R .
C4 C 0.9757(13) 0.3907(13) 0.2089(14) 0.056(6) Uani 1 d . . . .
H4A H 1.0148 0.3506 0.2142 0.067 Uiso 1 calc . . R .
C5 C 0.9822(12) 0.4557(13) 0.2372(12) 0.049(6) Uani 1 d . . . .
H5A H 1.0264 0.4594 0.2619 0.059 Uiso 1 calc . . R .
C6 C 0.9244(12) 0.5152(11) 0.2296(12) 0.038(5) Uani 1 d . . . .
C7 C 0.8557(12) 0.5162(12) 0.1911(10) 0.037(5) Uani 1 d . . . .
C8 C 0.9280(14) 0.5816(13) 0.2664(13) 0.054(6) Uani 1 d . . . .
H8 H 0.8861 0.6185 0.2624 0.064 Uiso 1 calc . . R .
C9 C 0.5469(11) 0.7659(11) 0.0682(9) 0.027(4) Uani 1 d . . . .
C10 C 0.6051(10) 0.8352(10) 0.0493(10) 0.024(4) Uani 1 d . . . U
C11 C 0.5796(13) 0.9122(10) 0.0459(11) 0.042(5) Uani 1 d . . . U
H11 H 0.5260 0.9204 0.0519 0.050 Uiso 1 calc . . R .
C12 C 0.6251(16) 0.9790(14) 0.0345(14) 0.062(7) Uani 1 d . . . .
H12 H 0.6049 1.0280 0.0402 0.075 Uiso 1 calc . . R .
C13 C 0.7028(13) 0.9678(11) 0.0140(13) 0.048(6) Uani 1 d . . . .
H13 H 0.7357 1.0122 -0.0001 0.058 Uiso 1 calc . . R .
C14 C 0.7339(13) 0.8895(12) 0.0137(13) 0.046(5) Uani 1 d . . . .
C15 C 0.6888(13) 0.8216(11) 0.0319(12) 0.041(5) Uani 1 d . . . .
C16 C 0.8188(14) 0.8817(15) -0.0045(17) 0.071(8) Uani 1 d . . . .
H16 H 0.8389 0.8297 -0.0013 0.085 Uiso 1 calc . . R .
C17 C 0.4069(11) 0.4369(10) 0.2957(9) 0.022(4) Uani 1 d . . . U
C18 C 0.4042(13) 0.3597(12) 0.3675(11) 0.040(5) Uani 1 d . . . .
C19 C 0.3306(13) 0.3425(14) 0.4082(12) 0.047(5) Uani 1 d . . . .
H19 H 0.2892 0.3780 0.3897 0.057 Uiso 1 calc . . R .
C20 C 0.3164(17) 0.2739(16) 0.4759(14) 0.071(8) Uani 1 d . . . .
H20 H 0.2674 0.2641 0.5031 0.085 Uiso 1 calc . . R .
C21 C 0.3785(15) 0.2228(14) 0.4991(14) 0.061(7) Uani 1 d . . . .
H21 H 0.3710 0.1766 0.5434 0.073 Uiso 1 calc . . R .
C22 C 0.4525(14) 0.2363(11) 0.4602(11) 0.044(6) Uani 1 d . . . .
C23 C 0.4671(12) 0.3061(11) 0.3893(10) 0.033(5) Uani 1 d . . . .
C24 C 0.5172(16) 0.1819(16) 0.4879(12) 0.071(8) Uani 1 d . . . .
H24 H 0.5656 0.1959 0.4605 0.086 Uiso 1 calc . . R .
C25 C 0.3643(12) 0.7462(10) -0.1808(11) 0.035(5) Uani 1 d . . . .
C26 C 0.4009(12) 0.8283(10) -0.2165(9) 0.034(5) Uani 1 d . . . .
C27 C 0.4106(14) 0.8602(10) -0.2961(12) 0.048(6) Uani 1 d . . . .
H27 H 0.3920 0.8309 -0.3260 0.057 Uiso 1 calc . . R .
C28 C 0.4469(14) 0.9345(13) -0.3363(13) 0.055(6) Uani 1 d . . . U
H28 H 0.4496 0.9560 -0.3911 0.066 Uiso 1 calc . . R .
C29 C 0.4777(14) 0.9736(14) -0.2924(13) 0.055(6) Uani 1 d . . . .
H29 H 0.5015 1.0235 -0.3179 0.067 Uiso 1 calc . . R .
C30 C 0.4753(13) 0.9426(10) -0.2106(10) 0.040(5) Uani 1 d . . . .
C31 C 0.4356(12) 0.8684(10) -0.1692(10) 0.032(5) Uani 1 d . . . .
C32 C 0.5152(14) 0.9803(11) -0.1648(14) 0.055(7) Uani 1 d . . . .
H32 H 0.5145 0.9543 -0.1105 0.066 Uiso 1 calc . . R .
C33 C 0.4005(11) 0.6536(10) 0.2148(9) 0.022(4) Uani 1 d . . . .
C34 C 0.3422(12) 0.6878(12) 0.2658(12) 0.043(5) Uani 1 d . . . U
C35 C 0.3770(12) 0.7323(10) 0.3071(11) 0.037(5) Uani 1 d . . . .
H35 H 0.4304 0.7404 0.3005 0.044 Uiso 1 calc . . R .
C36 C 0.3294(16) 0.7639(14) 0.3580(15) 0.063(7) Uani 1 d . . . .
H36 H 0.3509 0.7936 0.3859 0.076 Uiso 1 calc . . R .
C37 C 0.2543(17) 0.7517(15) 0.3666(12) 0.066(8) Uani 1 d . . . .
H37 H 0.2235 0.7748 0.3996 0.079 Uiso 1 calc . . R .
C38 C 0.2189(14) 0.7067(12) 0.3292(11) 0.046(6) Uani 1 d . . . .
C39 C 0.2624(10) 0.6693(10) 0.2796(10) 0.025(4) Uani 1 d . . . U
C40 C 0.1317(15) 0.6970(15) 0.3377(14) 0.063(7) Uani 1 d . . . .
H40 H 0.1097 0.6681 0.3093 0.076 Uiso 1 calc . . R .
C41 C 0.2185(10) 0.4159(10) 0.0612(10) 0.023(4) Uani 1 d . . . .
C42 C 0.1834(11) 0.3509(11) 0.1364(11) 0.033(4) Uani 1 d . . . U
C43 C 0.1553(13) 0.2828(11) 0.1239(12) 0.051(6) Uani 1 d . . . .
H43 H 0.1584 0.2803 0.0726 0.062 Uiso 1 calc . . R .
C44 C 0.1224(14) 0.2171(13) 0.1860(14) 0.057(6) Uani 1 d . . . .
H44 H 0.1009 0.1732 0.1762 0.069 Uiso 1 calc . . R .
C45 C 0.1230(13) 0.2202(12) 0.2605(12) 0.048(6) Uani 1 d . . . .
H45 H 0.1028 0.1773 0.3032 0.058 Uiso 1 calc . . R .
C46 C 0.1539(12) 0.2874(12) 0.2730(13) 0.046(5) Uani 1 d . . . .
C47 C 0.1834(12) 0.3559(10) 0.2112(11) 0.037(5) Uani 1 d . . . .
C48 C 0.1493(18) 0.2936(19) 0.3516(18) 0.085(9) Uani 1 d . . . U
H48 H 0.1655 0.3419 0.3573 0.102 Uiso 1 calc . . R .
C52 C 0.6038(12) 0.4499(13) 0.4337(11) 0.043(5) Uani 1 d . . . .
H52 H 0.6151 0.3947 0.4583 0.051 Uiso 1 calc . . R .
C53 C 0.5900(15) 0.5886(14) 0.4372(13) 0.066(7) Uani 1 d . . . .
H53A H 0.6382 0.6164 0.4313 0.099 Uiso 1 calc . . GR .
H53B H 0.5522 0.6090 0.4695 0.099 Uiso 1 calc . . GR .
H53C H 0.5713 0.5980 0.3861 0.099 Uiso 1 calc . . GR .
C54 C 0.6225(19) 0.4713(16) 0.5567(13) 0.084(10) Uani 1 d . . . .
H54A H 0.6685 0.4984 0.5612 0.125 Uiso 1 calc . . GR .
H54B H 0.6321 0.4132 0.5733 0.125 Uiso 1 calc . . GR .
H54C H 0.5801 0.4840 0.5898 0.125 Uiso 1 calc . . GR .
C61 C 0.3051(12) 0.8656(11) 0.1396(11) 0.040(5) Uani 1 d . . . .
H61 H 0.3517 0.8828 0.1509 0.048 Uiso 1 calc . . R .
C62 C 0.1665(13) 0.8685(15) 0.1507(16) 0.073(8) Uani 1 d . . . .
H62A H 0.1436 0.9145 0.1125 0.109 Uiso 1 d . . R .
H62B H 0.1325 0.8522 0.1983 0.109 Uiso 1 d . . R .
H62C H 0.1739 0.8237 0.1297 0.109 Uiso 1 d . . R .
C63 C 0.238(2) 0.9468(17) 0.2162(15) 0.099(11) Uani 1 d . . . .
H63A H 0.2910 0.9564 0.2234 0.148 Uiso 1 d . . R .
H63B H 0.2107 0.9222 0.2669 0.148 Uiso 1 d . . R .
H63C H 0.2132 0.9979 0.1894 0.148 Uiso 1 d . . R .
C64 C 0.0859(19) 0.6290(19) 0.1278(19) 0.089(9) Uani 1 d . . . .
H64 H 0.0867 0.6606 0.1611 0.107 Uiso 1 calc . . R .
C65 C 0.014(3) 0.597(2) 0.0361(18) 0.154(19) Uani 1 d . . . .
H65A H 0.0306 0.6235 -0.0184 0.231 Uiso 1 d . . R .
H65B H -0.0410 0.5860 0.0405 0.231 Uiso 1 d . . R .
H65C H 0.0422 0.5461 0.0555 0.231 Uiso 1 d . . R .
C66 C -0.028(2) 0.7080(18) 0.081(2) 0.138(16) Uani 1 d . . . .
H66A H -0.0775 0.6830 0.1007 0.207 Uiso 1 calc . . GR .
H66B H -0.0315 0.7443 0.0278 0.207 Uiso 1 calc . . GR .
H66C H -0.0141 0.7385 0.1138 0.207 Uiso 1 calc . . GR .
N1 N 0.6599(18) 0.793(2) 0.258(3) 0.072(13) Uiso 0.50 d A 1 D .
N3X N 0.824(3) 0.334(3) 0.392(4) 0.068(5) Uani 0.50 d B 1 D .
N4 N 0.219(2) 0.872(3) -0.168(3) 0.108(7) Uiso 0.50 d C 1 D .
C49 C 0.6403(18) 0.735(2) 0.223(3) 0.084(7) Uiso 0.50 d A 1 D .
H49 H 0.5888 0.7344 0.2116 0.101 Uiso 0.50 calc A 1 R .
C50 C 0.603(2) 0.851(2) 0.270(3) 0.084(7) Uiso 0.50 d A 1 D .
H50A H 0.5768 0.8302 0.3217 0.126 Uiso 0.50 calc A 1 GR .
H50B H 0.5657 0.8620 0.2308 0.126 Uiso 0.50 calc A 1 GR .
H50C H 0.6281 0.9014 0.2652 0.126 Uiso 0.50 calc A 1 GR .
C51 C 0.730(2) 0.782(3) 0.297(3) 0.084(7) Uiso 0.50 d A 1 D .
H51A H 0.7289 0.8197 0.3269 0.126 Uiso 0.50 d A 1 R .
H51B H 0.7740 0.7934 0.2585 0.126 Uiso 0.50 d A 1 R .
H51C H 0.7336 0.7271 0.3318 0.126 Uiso 0.50 d A 1 R .
C55X C 0.770(3) 0.326(4) 0.351(4) 0.068(5) Uani 0.50 d B 1 D .
H55X H 0.7726 0.2784 0.3368 0.081 Uiso 0.50 calc B 1 R .
C56X C 0.884(2) 0.273(3) 0.417(3) 0.068(5) Uani 0.50 d B 1 D .
H56A H 0.8648 0.2196 0.4220 0.102 Uiso 0.50 d B 1 R .
H56B H 0.9016 0.2723 0.4661 0.102 Uiso 0.50 d B 1 R .
H56C H 0.9271 0.2851 0.3767 0.102 Uiso 0.50 d B 1 R .
C57X C 0.825(4) 0.405(3) 0.418(3) 0.068(5) Uani 0.50 d B 1 D .
H57A H 0.7915 0.4470 0.3882 0.102 Uiso 0.50 d B 1 R .
H57B H 0.8769 0.4261 0.4128 0.102 Uiso 0.50 d B 1 R .
H57C H 0.8063 0.3886 0.4732 0.102 Uiso 0.50 d B 1 R .
C58 C 0.218(6) 0.816(4) -0.098(4) 0.108(7) Uiso 0.50 d C 1 D .
H58 H 0.1901 0.7687 -0.0869 0.129 Uiso 0.50 calc C 1 R .
C59 C 0.183(4) 0.845(4) -0.230(3) 0.108(7) Uiso 0.50 d C 1 D .
H59A H 0.1399 0.8816 -0.2486 0.161 Uiso 0.50 d C 1 R .
H59B H 0.1648 0.7906 -0.2056 0.161 Uiso 0.50 d C 1 R .
H59C H 0.2198 0.8465 -0.2744 0.161 Uiso 0.50 d C 1 R .
C60 C 0.256(4) 0.953(3) -0.172(4) 0.108(7) Uiso 0.50 d C 1 D .
H60A H 0.2160 0.9923 -0.1695 0.161 Uiso 0.50 calc C 1 GR .
H60B H 0.2876 0.9728 -0.2216 0.161 Uiso 0.50 calc C 1 GR .
H60C H 0.2883 0.9433 -0.1292 0.161 Uiso 0.50 calc C 1 GR .
N1X N 0.6720(18) 0.793(3) 0.257(3) 0.084(7) Uiso 0.50 d A 2 D .
N3 N 0.829(3) 0.320(4) 0.383(3) 0.068(5) Uani 0.50 d B 2 D .
N4X N 0.190(3) 0.869(3) -0.162(3) 0.108(7) Uiso 0.50 d C 2 D .
C49X C 0.7157(18) 0.735(2) 0.230(3) 0.084(7) Uiso 0.50 d A 2 D .
H49X H 0.7697 0.7337 0.2306 0.101 Uiso 0.50 calc A 2 R .
C50X C 0.5897(18) 0.785(3) 0.273(3) 0.084(7) Uiso 0.50 d A 2 D .
H50D H 0.5640 0.8318 0.2381 0.126 Uiso 0.50 d A 2 R .
H50E H 0.5761 0.7830 0.3268 0.126 Uiso 0.50 d A 2 R .
H50F H 0.5737 0.7361 0.2652 0.126 Uiso 0.50 d A 2 R .
C51X C 0.710(3) 0.854(2) 0.277(3) 0.084(7) Uiso 0.50 d A 2 D .
H51D H 0.6869 0.8553 0.3277 0.126 Uiso 0.50 d A 2 R .
H51E H 0.7038 0.9067 0.2384 0.126 Uiso 0.50 d A 2 R .
H51F H 0.7642 0.8398 0.2808 0.126 Uiso 0.50 d A 2 R .
C55 C 0.773(3) 0.328(4) 0.339(4) 0.068(5) Uani 0.50 d B 2 D .
H55 H 0.7765 0.2932 0.3082 0.081 Uiso 0.50 calc B 2 R .
C56 C 0.837(4) 0.367(3) 0.435(3) 0.068(5) Uani 0.50 d B 2 D .
H56D H 0.8386 0.4232 0.4027 0.102 Uiso 0.50 d B 2 R .
H56E H 0.8846 0.3515 0.4604 0.102 Uiso 0.50 d B 2 R .
H56F H 0.7939 0.3593 0.4747 0.102 Uiso 0.50 d B 2 R .
C57 C 0.895(2) 0.264(3) 0.385(3) 0.068(5) Uani 0.50 d B 2 D .
H57D H 0.8776 0.2110 0.4178 0.102 Uiso 0.50 d B 2 R .
H57E H 0.9382 0.2797 0.4058 0.102 Uiso 0.50 d B 2 R .
H57F H 0.9096 0.2623 0.3322 0.102 Uiso 0.50 d B 2 R .
C58X C 0.226(5) 0.818(5) -0.103(3) 0.108(7) Uiso 0.50 d C 2 D .
H58X H 0.2293 0.7645 -0.1040 0.129 Uiso 0.50 calc C 2 R .
C59X C 0.113(3) 0.844(4) -0.183(4) 0.108(7) Uiso 0.50 d C 2 D .
H59D H 0.0719 0.8618 -0.1523 0.161 Uiso 0.50 d C 2 R .
H59E H 0.1138 0.7850 -0.1678 0.161 Uiso 0.50 d C 2 R .
H59F H 0.1056 0.8667 -0.2380 0.161 Uiso 0.50 d C 2 R .
C60X C 0.227(4) 0.952(3) -0.207(4) 0.108(7) Uiso 0.50 d C 2 D .
H60D H 0.1994 0.9940 -0.1910 0.161 Uiso 0.50 calc C 2 GR .
H60E H 0.2250 0.9625 -0.2627 0.161 Uiso 0.50 calc C 2 GR .
H60F H 0.2807 0.9500 -0.1950 0.161 Uiso 0.50 calc C 2 GR .
O37X O 0.195(3) 0.400(3) 0.563(3) 0.044(5) Uiso 0.25 d D 1 D .
N8X N 0.104(4) 0.426(6) 0.485(5) 0.044(5) Uiso 0.25 d D 1 D .
C70X C 0.132(4) 0.389(5) 0.538(5) 0.044(5) Uiso 0.25 d D 1 D .
H70X H 0.1061 0.3415 0.5681 0.053 Uiso 0.25 calc D 1 R .
C71X C 0.029(4) 0.411(5) 0.469(5) 0.044(5) Uiso 0.25 d D 1 D .
H71A H 0.0165 0.3546 0.4967 0.066 Uiso 0.25 calc D 1 GR .
H71B H 0.0281 0.4210 0.4131 0.066 Uiso 0.25 calc D 1 GR .
H71C H -0.0079 0.4462 0.4858 0.066 Uiso 0.25 calc D 1 GR .
C72X C 0.141(7) 0.490(6) 0.425(4) 0.044(5) Uiso 0.25 d D 1 D .
H72A H 0.1488 0.4769 0.3760 0.066 Uiso 0.25 d D 1 R .
H72B H 0.1904 0.5016 0.4391 0.066 Uiso 0.25 d D 1 R .
H72C H 0.1066 0.5362 0.4179 0.066 Uiso 0.25 d D 1 R .
O36 O 0.5765(7) 0.6731(7) -0.1172(8) 0.038(3) Uani 1 d . . . U
N7 N 0.6342(9) 0.7875(8) -0.1977(8) 0.031(4) Uani 1 d . . . .
C67 C 0.6114(18) 0.7390(15) -0.1299(13) 0.074(9) Uani 1 d . . . .
H67 H 0.6213 0.7536 -0.0860 0.089 Uiso 1 calc . . R .
C68 C 0.616(2) 0.773(2) -0.265(2) 0.137(16) Uani 1 d . . . .
H68A H 0.6632 0.7624 -0.2935 0.206 Uiso 1 calc . . GR .
H68B H 0.5896 0.8203 -0.2978 0.206 Uiso 1 calc . . GR .
H68C H 0.5831 0.7266 -0.2510 0.206 Uiso 1 calc . . GR .
C69 C 0.6799(17) 0.8595(16) -0.202(2) 0.108(12) Uani 1 d . . . .
H69A H 0.6706 0.8717 -0.1537 0.162 Uiso 1 d . . R .
H69B H 0.6644 0.9059 -0.2453 0.162 Uiso 1 d . . R .
H69C H 0.7343 0.8477 -0.2111 0.162 Uiso 1 d . . R .
O37 O 0.222(3) 0.445(3) 0.539(3) 0.044(5) Uiso 0.25 d E 2 D .
N8 N 0.118(4) 0.430(6) 0.483(5) 0.044(5) Uiso 0.25 d E 2 D .
C70 C 0.159(4) 0.418(5) 0.528(5) 0.044(5) Uiso 0.25 d E 2 D .
H70 H 0.1435 0.3734 0.5721 0.053 Uiso 0.25 calc E 2 R .
C71 C 0.052(4) 0.383(4) 0.494(5) 0.044(5) Uiso 0.25 d E 2 D .
H71D H 0.0041 0.4126 0.4795 0.066 Uiso 0.25 d E 2 R .
H71E H 0.0467 0.3515 0.5493 0.066 Uiso 0.25 d E 2 R .
H71F H 0.0627 0.3462 0.4635 0.066 Uiso 0.25 d E 2 R .
C72 C 0.133(7) 0.491(6) 0.410(4) 0.044(5) Uiso 0.25 d E 2 D .
H72D H 0.1579 0.4646 0.3742 0.066 Uiso 0.25 d E 2 R .
H72E H 0.1677 0.5302 0.4161 0.066 Uiso 0.25 d E 2 R .
H72F H 0.0865 0.5196 0.3882 0.066 Uiso 0.25 d E 2 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
Gd1 Gd2 3.9703(11) . ?
Gd1 Gd4 3.6336(13) . ?
Gd1 O1 2.352(12) . ?
Gd1 O2 2.421(11) . ?
Gd1 O8 2.545(11) . ?
Gd1 O9 2.258(11) . ?
Gd1 O12 2.490(12) . ?
Gd1 O13 2.256(13) . ?
Gd1 O27 2.332(11) 2_665 ?
Gd1 O31 2.410(12) . ?
Gd2 Gd5 3.6293(10) 2_665 ?
Gd2 Gd6 3.6572(11) 2_665 ?
Gd2 O2 2.350(10) . ?
Gd2 O3 2.384(11) . ?
Gd2 O4 2.451(11) 2_665 ?
Gd2 O5 2.473(11) 2_665 ?
Gd2 O6 2.389(10) 2_665 ?
Gd2 O7 2.556(13) . ?
Gd2 O8 2.507(10) . ?
Gd2 O20 2.476(11) 2_665 ?
Gd2 O28 2.506(12) 2_665 ?
Gd2 C1 2.914(17) . ?
Gd3 Gd4 3.6115(12) . ?
Gd3 O1 2.310(11) . ?
Gd3 O3 2.398(10) . ?
Gd3 O8 2.643(11) . ?
Gd3 O16 2.452(12) . ?
Gd3 O17 2.220(14) . ?
Gd3 O19 2.333(11) 2_665 ?
Gd3 O32 2.422(12) . ?
Gd3 O33 2.327(13) . ?
Gd4 O1 2.359(10) . ?
Gd4 O2 2.459(11) . ?
Gd4 O3 2.471(9) . ?
Gd4 O4 2.341(11) . ?
Gd4 O5 2.354(11) . ?
Gd4 O12 2.493(12) . ?
Gd4 O16 2.495(12) . ?
Gd4 O23 2.558(11) . ?
Gd4 O24 2.526(11) . ?
Gd4 C33 2.907(16) . ?
Gd5 Gd2 3.6293(10) 2_665 ?
Gd5 O1AA 2.325(11) . ?
Gd5 O4 2.374(10) . ?
Gd5 O6 2.352(10) . ?
Gd5 O11 2.362(12) . ?
Gd5 O20 2.463(10) . ?
Gd5 O21 2.259(12) . ?
Gd5 O24 2.632(11) . ?
Gd5 O34 2.432(14) . ?
Gd6 Gd2 3.6572(11) 2_665 ?
Gd6 O5 2.425(11) . ?
Gd6 O6 2.389(11) . ?
Gd6 O15 2.362(12) . ?
Gd6 O24 2.524(11) . ?
Gd6 O25 2.291(11) . ?
Gd6 O28 2.487(10) . ?
Gd6 O29 2.283(13) . ?
Gd6 O35 2.420(15) . ?
O1AA C61 1.25(2) . ?
O4 Gd2 2.451(11) 2_665 ?
O5 Gd2 2.473(11) 2_665 ?
O6 Gd2 2.389(10) 2_665 ?
O7 C1 1.26(2) . ?
O8 C1 1.30(2) . ?
O9 C7 1.28(2) . ?
O10 C8 1.22(2) . ?
O11 C9 1.24(2) . ?
O12 C9 1.25(2) . ?
O13 C15 1.29(2) . ?
O14 C16 1.18(3) . ?
O15 C17 1.266(19) . ?
O16 C17 1.27(2) . ?
O17 C23 1.27(2) . ?
O18 C24 1.20(3) . ?
O19 Gd3 2.333(11) 2_665 ?
O19 C25 1.29(2) . ?
O20 Gd2 2.476(11) 2_665 ?
O20 C25 1.29(2) . ?
O21 C31 1.292(19) . ?
O22 C32 1.25(2) . ?
O23 C33 1.22(2) . ?
O24 C33 1.304(18) . ?
O25 C39 1.295(19) . ?
O26 C40 1.20(2) . ?
O27 Gd1 2.332(11) 2_665 ?
O27 C41 1.300(18) . ?
O28 Gd2 2.507(11) 2_665 ?
O28 C41 1.247(19) . ?
O29 C47 1.28(2) . ?
O30 C48 1.26(3) . ?
O31 C49 1.197(8) . ?
O31 C49X 1.195(8) . ?
O32 C52 1.26(2) . ?
O33 C55X 1.15(3) . ?
O33 C55 1.15(3) . ?
O34 C58 1.19(3) . ?
O34 C58X 1.19(3) . ?
O35 C64 1.18(3) . ?
N2 C52 1.30(2) . ?
N2 C53 1.49(3) . ?
N2 C54 1.44(2) . ?
N5 C61 1.31(2) . ?
N5 C62 1.42(3) . ?
N5 C63 1.49(3) . ?
N6 C64 1.31(4) . ?
N6 C65 1.41(4) . ?
N6 C66 1.40(4) . ?
C1 C2 1.51(3) . ?
C2 C3 1.34(3) . ?
C2 C7 1.48(2) . ?
C3 C4 1.36(3) . ?
C4 C5 1.38(3) . ?
C5 C6 1.38(3) . ?
C6 C7 1.42(3) . ?
C6 C8 1.50(3) . ?
C9 C10 1.53(2) . ?
C10 C11 1.36(2) . ?
C10 C15 1.47(3) . ?
C11 C12 1.37(3) . ?
C12 C13 1.38(3) . ?
C13 C14 1.43(3) . ?
C14 C15 1.37(3) . ?
C14 C16 1.48(3) . ?
C17 C18 1.52(3) . ?
C18 C19 1.40(3) . ?
C18 C23 1.39(3) . ?
C19 C20 1.41(3) . ?
C20 C21 1.36(3) . ?
C21 C22 1.39(3) . ?
C22 C23 1.45(3) . ?
C22 C24 1.44(3) . ?
C25 C26 1.50(3) . ?
C26 C27 1.35(2) . ?
C26 C31 1.44(2) . ?
C27 C28 1.40(3) . ?
C28 C29 1.34(3) . ?
C29 C30 1.39(3) . ?
C30 C31 1.43(3) . ?
C30 C32 1.43(3) . ?
C33 C34 1.52(2) . ?
C34 C35 1.41(2) . ?
C34 C39 1.41(3) . ?
C35 C36 1.39(3) . ?
C36 C37 1.31(3) . ?
C37 C38 1.37(3) . ?
C38 C39 1.40(2) . ?
C38 C40 1.51(3) . ?
C41 C42 1.54(2) . ?
C42 C43 1.38(3) . ?
C42 C47 1.37(2) . ?
C43 C44 1.41(3) . ?
C44 C45 1.35(3) . ?
C45 C46 1.39(3) . ?
C46 C47 1.41(3) . ?
C46 C48 1.44(3) . ?
N1 C49 1.398(8) . ?
N1 C50 1.426(9) . ?
N1 C51 1.426(9) . ?
N3X C55X 1.28(3) . ?
N3X C56X 1.44(2) . ?
N3X C57X 1.44(2) . ?
N4 C58 1.32(4) . ?
N4 C59 1.53(3) . ?
N4 C60 1.53(3) . ?
N1X C49X 1.397(8) . ?
N1X C50X 1.425(8) . ?
N1X C51X 1.425(8) . ?
N3 C55 1.28(3) . ?
N3 C56 1.44(2) . ?
N3 C57 1.44(2) . ?
N4X C58X 1.32(4) . ?
N4X C59X 1.53(3) . ?
N4X C60X 1.53(3) . ?
O37X C70X 1.25(6) . ?
N8X C70X 1.09(5) . ?
N8X C71X 1.40(4) . ?
N8X C72X 1.40(4) . ?
O36 C67 1.26(3) . ?
N7 C67 1.27(3) . ?
N7 C68 1.37(3) . ?
N7 C69 1.48(3) . ?
O37 C70 1.25(6) . ?
N8 C70 1.09(5) . ?
N8 C71 1.40(4) . ?
N8 C72 1.40(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
Gd4 Gd1 Gd2 63.21(2) . . ?
O1 Gd1 Gd2 76.4(2) . . ?
O1 Gd1 Gd4 39.6(2) . . ?
O1 Gd1 O2 74.3(4) . . ?
O1 Gd1 O8 66.2(4) . . ?
O1 Gd1 O12 70.4(4) . . ?
O1 Gd1 O31 74.2(4) . . ?
O2 Gd1 Gd2 33.1(2) . . ?
O2 Gd1 Gd4 42.3(3) . . ?
O2 Gd1 O8 68.4(3) . . ?
O2 Gd1 O12 65.0(4) . . ?
O8 Gd1 Gd2 37.9(2) . . ?
O8 Gd1 Gd4 79.6(2) . . ?
O9 Gd1 Gd2 105.1(3) . . ?
O9 Gd1 Gd4 136.5(3) . . ?
O9 Gd1 O1 98.1(4) . . ?
O9 Gd1 O2 138.2(4) . . ?
O9 Gd1 O8 71.0(4) . . ?
O9 Gd1 O12 151.9(4) . . ?
O9 Gd1 O27 82.9(4) . 2_665 ?
O9 Gd1 O31 76.1(5) . . ?
O12 Gd1 Gd2 97.1(3) . . ?
O12 Gd1 Gd4 43.2(3) . . ?
O12 Gd1 O8 122.6(4) . . ?
O13 Gd1 Gd2 126.0(3) . . ?
O13 Gd1 Gd4 110.5(3) . . ?
O13 Gd1 O1 135.4(4) . . ?
O13 Gd1 O2 103.7(4) . . ?
O13 Gd1 O8 155.9(4) . . ?
O13 Gd1 O9 109.3(5) . . ?
O13 Gd1 O12 68.9(4) . . ?
O13 Gd1 O27 81.1(4) . 2_665 ?
O13 Gd1 O31 79.0(4) . . ?
O27 Gd1 Gd2 63.3(3) 2_665 . ?
O27 Gd1 Gd4 119.8(3) 2_665 . ?
O27 Gd1 O1 138.2(4) 2_665 . ?
O27 Gd1 O2 77.6(4) 2_665 . ?
O27 Gd1 O8 75.0(4) 2_665 . ?
O27 Gd1 O12 123.1(4) 2_665 . ?
O27 Gd1 O31 144.1(5) 2_665 . ?
O31 Gd1 Gd2 150.4(3) . . ?
O31 Gd1 Gd4 95.1(4) . . ?
O31 Gd1 O2 136.2(5) . . ?
O31 Gd1 O8 123.0(4) . . ?
O31 Gd1 O12 76.1(4) . . ?
Gd5 Gd2 Gd6 69.78(2) 2_665 2_665 ?
O2 Gd2 Gd5 155.6(3) . 2_665 ?
O2 Gd2 Gd6 106.8(3) . 2_665 ?
O2 Gd2 O3 69.1(4) . . ?
O2 Gd2 O4 115.8(4) . 2_665 ?
O2 Gd2 O5 80.6(3) . 2_665 ?
O2 Gd2 O6 146.3(4) . 2_665 ?
O2 Gd2 O7 113.4(4) . . ?
O2 Gd2 O8 70.1(4) . . ?
O2 Gd2 O20 145.3(4) . 2_665 ?
O2 Gd2 O28 79.1(4) . 2_665 ?
O2 Gd2 C1 90.8(4) . . ?
O3 Gd2 Gd5 104.1(2) . 2_665 ?
O3 Gd2 Gd6 156.9(3) . 2_665 ?
O3 Gd2 O4 80.3(4) . 2_665 ?
O3 Gd2 O5 117.0(4) . 2_665 ?
O3 Gd2 O6 142.9(3) . 2_665 ?
O3 Gd2 O7 112.9(4) . . ?
O3 Gd2 O8 72.1(4) . . ?
O3 Gd2 O20 77.2(3) . 2_665 ?
O3 Gd2 O28 147.1(3) . 2_665 ?
O3 Gd2 C1 94.6(5) . . ?
O4 Gd2 Gd5 40.4(2) 2_665 2_665 ?
O4 Gd2 Gd6 81.5(3) 2_665 2_665 ?
O4 Gd2 O5 65.1(4) 2_665 2_665 ?
O4 Gd2 O7 130.5(4) 2_665 . ?
O4 Gd2 O8 147.4(4) 2_665 . ?
O4 Gd2 O20 64.8(4) 2_665 2_665 ?
O4 Gd2 O28 122.9(3) 2_665 2_665 ?
O4 Gd2 C1 148.2(4) 2_665 . ?
O5 Gd2 Gd5 82.2(2) 2_665 2_665 ?
O5 Gd2 Gd6 41.2(3) 2_665 2_665 ?
O5 Gd2 O7 129.8(4) 2_665 . ?
O5 Gd2 O8 143.8(3) 2_665 . ?
O5 Gd2 O20 123.8(3) 2_665 2_665 ?
O5 Gd2 O28 63.9(4) 2_665 2_665 ?
O5 Gd2 C1 140.9(4) 2_665 . ?
O6 Gd2 Gd5 39.7(3) 2_665 2_665 ?
O6 Gd2 Gd6 40.0(3) 2_665 2_665 ?
O6 Gd2 O4 72.8(4) 2_665 2_665 ?
O6 Gd2 O5 73.9(4) 2_665 2_665 ?
O6 Gd2 O7 69.8(4) 2_665 . ?
O6 Gd2 O8 121.5(4) 2_665 . ?
O6 Gd2 O20 68.5(3) 2_665 2_665 ?
O6 Gd2 O28 70.0(3) 2_665 2_665 ?
O6 Gd2 C1 95.2(5) 2_665 . ?
O7 Gd2 Gd5 90.9(2) . 2_665 ?
O7 Gd2 Gd6 89.8(3) . 2_665 ?
O7 Gd2 C1 25.5(4) . . ?
O8 Gd2 Gd5 131.6(3) . 2_665 ?
O8 Gd2 Gd6 129.1(3) . 2_665 ?
O8 Gd2 O7 51.7(3) . . ?
O8 Gd2 C1 26.4(4) . . ?
O20 Gd2 Gd5 42.6(2) 2_665 2_665 ?
O20 Gd2 Gd6 107.5(2) 2_665 2_665 ?
O20 Gd2 O7 71.9(4) 2_665 . ?
O20 Gd2 O8 92.0(3) 2_665 . ?
O20 Gd2 O28 131.8(4) 2_665 2_665 ?
O20 Gd2 C1 83.4(4) 2_665 . ?
O28 Gd2 Gd5 108.4(2) 2_665 2_665 ?
O28 Gd2 Gd6 42.7(2) 2_665 2_665 ?
O28 Gd2 O7 71.7(4) 2_665 . ?
O28 Gd2 O8 89.4(3) 2_665 . ?
O28 Gd2 C1 77.0(4) 2_665 . ?
C1 Gd2 Gd5 113.4(3) . 2_665 ?
C1 Gd2 Gd6 108.4(4) . 2_665 ?
Gd4 Gd3 Gd2 63.47(2) . . ?
O1 Gd3 Gd2 76.9(3) . . ?
O1 Gd3 Gd4 39.8(3) . . ?
O1 Gd3 O3 75.6(3) . . ?
O1 Gd3 O8 65.1(4) . . ?
O1 Gd3 O16 70.3(4) . . ?
O1 Gd3 O19 138.9(4) . 2_665 ?
O1 Gd3 O32 70.1(4) . . ?
O1 Gd3 O33 108.3(5) . . ?
O3 Gd3 Gd2 33.9(3) . . ?
O3 Gd3 Gd4 42.9(2) . . ?
O3 Gd3 O8 69.5(4) . . ?
O3 Gd3 O16 65.5(4) . . ?
O3 Gd3 O32 134.6(4) . . ?
O8 Gd3 Gd2 38.4(2) . . ?
O8 Gd3 Gd4 78.9(2) . . ?
O16 Gd3 Gd2 98.0(3) . . ?
O16 Gd3 Gd4 43.6(3) . . ?
O16 Gd3 O8 122.3(4) . . ?
O17 Gd3 Gd2 130.0(3) . . ?
O17 Gd3 Gd4 113.7(3) . . ?
O17 Gd3 O1 135.7(4) . . ?
O17 Gd3 O3 107.2(4) . . ?
O17 Gd3 O8 158.7(4) . . ?
O17 Gd3 O16 71.3(4) . . ?
O17 Gd3 O19 82.5(5) . 2_665 ?
O17 Gd3 O32 79.4(5) . . ?
O17 Gd3 O33 93.2(5) . . ?
O19 Gd3 Gd2 63.9(3) 2_665 . ?
O19 Gd3 Gd4 121.1(3) 2_665 . ?
O19 Gd3 O3 78.4(4) 2_665 . ?
O19 Gd3 O8 76.2(4) 2_665 . ?
O19 Gd3 O16 125.1(4) 2_665 . ?
O19 Gd3 O32 146.0(4) 2_665 . ?
O32 Gd3 Gd2 146.7(3) . . ?
O32 Gd3 Gd4 92.6(3) . . ?
O32 Gd3 O8 118.4(4) . . ?
O32 Gd3 O16 75.3(4) . . ?
O33 Gd3 Gd2 112.8(4) . . ?
O33 Gd3 Gd4 147.8(4) . . ?
O33 Gd3 O3 146.1(4) . . ?
O33 Gd3 O8 81.6(4) . . ?
O33 Gd3 O16 148.3(4) . . ?
O33 Gd3 O19 77.9(5) . 2_665 ?
O33 Gd3 O32 74.7(5) . . ?
Gd3 Gd4 Gd1 68.99(3) . . ?
O1 Gd4 Gd1 39.4(3) . . ?
O1 Gd4 Gd3 38.8(3) . . ?
O1 Gd4 O2 73.4(4) . . ?
O1 Gd4 O3 73.4(4) . . ?
O1 Gd4 O12 70.2(4) . . ?
O1 Gd4 O16 68.8(4) . . ?
O1 Gd4 O23 70.7(4) . . ?
O1 Gd4 O24 121.8(3) . . ?
O1 Gd4 C33 95.2(4) . . ?
O2 Gd4 Gd1 41.5(2) . . ?
O2 Gd4 Gd3 82.0(3) . . ?
O2 Gd4 O3 66.0(4) . . ?
O2 Gd4 O12 64.4(3) . . ?
O2 Gd4 O16 123.4(4) . . ?
O2 Gd4 O23 130.4(4) . . ?
O2 Gd4 O24 146.1(4) . . ?
O2 Gd4 C33 146.4(4) . . ?
O3 Gd4 Gd1 82.7(3) . . ?
O3 Gd4 Gd3 41.3(2) . . ?
O3 Gd4 O12 124.6(4) . . ?
O3 Gd4 O16 63.7(3) . . ?
O3 Gd4 O23 130.6(4) . . ?
O3 Gd4 O24 144.2(4) . . ?
O3 Gd4 C33 142.0(4) . . ?
O4 Gd4 Gd1 106.2(3) . . ?
O4 Gd4 Gd3 156.9(2) . . ?
O4 Gd4 O1 145.0(4) . . ?
O4 Gd4 O2 80.5(4) . . ?
O4 Gd4 O3 116.7(3) . . ?
O4 Gd4 O5 68.8(4) . . ?
O4 Gd4 O12 77.6(4) . . ?
O4 Gd4 O16 146.3(4) . . ?
O4 Gd4 O23 112.3(4) . . ?
O4 Gd4 O24 71.2(4) . . ?
O4 Gd4 C33 93.7(4) . . ?
O5 Gd4 Gd1 157.5(3) . . ?
O5 Gd4 Gd3 106.6(2) . . ?
O5 Gd4 O1 144.7(4) . . ?
O5 Gd4 O2 116.9(4) . . ?
O5 Gd4 O3 80.5(4) . . ?
O5 Gd4 O12 145.1(4) . . ?
O5 Gd4 O16 78.6(4) . . ?
O5 Gd4 O23 112.2(4) . . ?
O5 Gd4 O24 69.9(3) . . ?
O5 Gd4 C33 90.9(4) . . ?
O12 Gd4 Gd1 43.2(3) . . ?
O12 Gd4 Gd3 108.0(3) . . ?
O12 Gd4 O16 132.1(4) . . ?
O12 Gd4 O23 71.9(4) . . ?
O12 Gd4 O24 91.0(4) . . ?
O12 Gd4 C33 82.0(4) . . ?
O16 Gd4 Gd1 107.2(3) . . ?
O16 Gd4 Gd3 42.6(3) . . ?
O16 Gd4 O23 72.2(4) . . ?
O16 Gd4 O24 90.3(4) . . ?
O16 Gd4 C33 78.3(4) . . ?
O23 Gd4 Gd1 90.2(3) . . ?
O23 Gd4 Gd3 90.6(3) . . ?
O23 Gd4 C33 24.7(4) . . ?
O24 Gd4 Gd1 130.6(3) . . ?
O24 Gd4 Gd3 129.8(2) . . ?
O24 Gd4 O23 51.2(4) . . ?
O24 Gd4 C33 26.6(4) . . ?
C33 Gd4 Gd1 111.6(3) . . ?
C33 Gd4 Gd3 109.2(3) . . ?
Gd2 Gd5 Gd4 63.57(2) 2_665 . ?
O1AA Gd5 Gd2 138.4(3) . 2_665 ?
O1AA Gd5 Gd4 111.6(3) . . ?
O1AA Gd5 O4 144.7(4) . . ?
O1AA Gd5 O6 98.2(4) . . ?
O1AA Gd5 O11 79.4(4) . . ?
O1AA Gd5 O20 144.6(4) . . ?
O1AA Gd5 O24 77.1(4) . . ?
O1AA Gd5 O34 72.5(4) . . ?
O4 Gd5 Gd2 42.0(3) . 2_665 ?
O4 Gd5 Gd4 33.2(3) . . ?
O4 Gd5 O20 66.1(4) . . ?
O4 Gd5 O24 68.8(3) . . ?
O4 Gd5 O34 137.4(4) . . ?
O6 Gd5 Gd2 40.4(2) . 2_665 ?
O6 Gd5 Gd4 77.4(3) . . ?
O6 Gd5 O4 74.9(4) . . ?
O6 Gd5 O11 137.9(4) . . ?
O6 Gd5 O20 69.3(4) . . ?
O6 Gd5 O24 63.7(4) . . ?
O6 Gd5 O34 80.8(5) . . ?
O11 Gd5 Gd2 124.9(3) . 2_665 ?
O11 Gd5 Gd4 65.1(3) . . ?
O11 Gd5 O4 83.3(4) . . ?
O11 Gd5 O20 132.5(4) . . ?
O11 Gd5 O24 75.0(4) . . ?
O11 Gd5 O34 135.5(4) . . ?
O20 Gd5 Gd2 42.9(3) . 2_665 ?
O20 Gd5 Gd4 98.2(3) . . ?
O20 Gd5 O24 121.0(3) . . ?
O21 Gd5 Gd2 107.2(3) . 2_665 ?
O21 Gd5 Gd4 113.1(4) . . ?
O21 Gd5 O1AA 111.7(4) . . ?
O21 Gd5 O4 93.3(4) . . ?
O21 Gd5 O6 139.7(4) . . ?
O21 Gd5 O11 76.0(5) . . ?
O21 Gd5 O20 70.7(4) . . ?
O21 Gd5 O24 147.3(4) . . ?
O21 Gd5 O34 83.2(5) . . ?
O24 Gd5 Gd2 78.1(2) . 2_665 ?
O24 Gd5 Gd4 39.3(2) . . ?
O34 Gd5 Gd2 98.6(3) . 2_665 ?
O34 Gd5 Gd4 158.2(4) . . ?
O34 Gd5 O20 72.8(4) . . ?
O34 Gd5 O24 128.7(5) . . ?
Gd2 Gd6 Gd4 63.00(2) 2_665 . ?
O5 Gd6 Gd2 42.2(3) . 2_665 ?
O5 Gd6 Gd4 33.4(2) . . ?
O5 Gd6 O24 68.8(3) . . ?
O5 Gd6 O28 64.9(4) . . ?
O6 Gd6 Gd2 40.0(2) . 2_665 ?
O6 Gd6 Gd4 76.4(3) . . ?
O6 Gd6 O5 74.8(4) . . ?
O6 Gd6 O24 65.0(4) . . ?
O6 Gd6 O28 70.4(3) . . ?
O6 Gd6 O35 74.7(4) . . ?
O15 Gd6 Gd2 120.1(3) . 2_665 ?
O15 Gd6 Gd4 63.6(3) . . ?
O15 Gd6 O5 78.0(4) . . ?
O15 Gd6 O6 138.3(4) . . ?
O15 Gd6 O24 75.9(4) . . ?
O15 Gd6 O28 124.0(4) . . ?
O15 Gd6 O35 143.9(4) . . ?
O24 Gd6 Gd2 78.8(2) . 2_665 ?
O24 Gd6 Gd4 38.3(2) . . ?
O25 Gd6 Gd2 137.1(3) . 2_665 ?
O25 Gd6 Gd4 104.6(3) . . ?
O25 Gd6 O5 138.0(4) . . ?
O25 Gd6 O6 98.5(4) . . ?
O25 Gd6 O15 81.3(4) . . ?
O25 Gd6 O24 70.9(4) . . ?
O25 Gd6 O28 152.6(4) . . ?
O25 Gd6 O35 78.7(4) . . ?
O28 Gd6 Gd2 43.1(3) . 2_665 ?
O28 Gd6 Gd4 97.1(3) . . ?
O28 Gd6 O24 121.8(4) . . ?
O29 Gd6 Gd2 110.4(3) . 2_665 ?
O29 Gd6 Gd4 121.9(4) . . ?
O29 Gd6 O5 100.3(4) . . ?
O29 Gd6 O6 138.1(4) . . ?
O29 Gd6 O15 77.5(4) . . ?
O29 Gd6 O24 152.9(5) . . ?
O29 Gd6 O25 110.4(4) . . ?
O29 Gd6 O28 70.1(4) . . ?
O29 Gd6 O35 81.8(5) . . ?
O35 Gd6 Gd2 94.6(3) . 2_665 ?
O35 Gd6 Gd4 151.1(4) . . ?
O35 Gd6 O5 135.1(4) . . ?
O35 Gd6 O24 123.8(4) . . ?
O35 Gd6 O28 74.3(4) . . ?
Gd1 O1 Gd4 101.0(4) . . ?
Gd3 O1 Gd1 123.3(5) . . ?
Gd3 O1 Gd4 101.3(4) . . ?
C61 O1AA Gd5 154.5(13) . . ?
Gd1 O2 Gd4 96.2(3) . . ?
Gd2 O2 Gd1 112.6(5) . . ?
Gd2 O2 Gd4 112.3(5) . . ?
Gd2 O3 Gd3 112.0(5) . . ?
Gd2 O3 Gd4 110.8(4) . . ?
Gd3 O3 Gd4 95.8(3) . . ?
Gd4 O4 Gd2 112.8(4) . 2_665 ?
Gd4 O4 Gd5 113.0(4) . . ?
Gd5 O4 Gd2 97.5(4) . 2_665 ?
Gd4 O5 Gd2 111.5(4) . 2_665 ?
Gd4 O5 Gd6 112.1(4) . . ?
Gd6 O5 Gd2 96.6(4) . 2_665 ?
Gd2 O6 Gd6 99.9(4) 2_665 . ?
Gd5 O6 Gd2 99.9(4) . 2_665 ?
Gd5 O6 Gd6 123.1(5) . . ?
C1 O7 Gd2 93.3(10) . . ?
Gd1 O8 Gd3 104.5(4) . . ?
Gd2 O8 Gd1 103.6(4) . . ?
Gd2 O8 Gd3 100.6(4) . . ?
C1 O8 Gd1 120.2(10) . . ?
C1 O8 Gd2 94.5(9) . . ?
C1 O8 Gd3 127.5(10) . . ?
C7 O9 Gd1 139.0(11) . . ?
C9 O11 Gd5 136.3(11) . . ?
Gd1 O12 Gd4 93.6(4) . . ?
C9 O12 Gd1 138.3(12) . . ?
C9 O12 Gd4 127.7(12) . . ?
C15 O13 Gd1 136.6(13) . . ?
C17 O15 Gd6 142.4(10) . . ?
Gd3 O16 Gd4 93.8(4) . . ?
C17 O16 Gd3 138.5(11) . . ?
C17 O16 Gd4 127.3(11) . . ?
C23 O17 Gd3 142.2(13) . . ?
C25 O19 Gd3 135.2(11) . 2_665 ?
Gd5 O20 Gd2 94.6(4) . 2_665 ?
C25 O20 Gd2 126.1(9) . 2_665 ?
C25 O20 Gd5 136.7(10) . . ?
C31 O21 Gd5 141.7(12) . . ?
C33 O23 Gd4 93.9(10) . . ?
Gd4 O24 Gd5 99.3(4) . . ?
Gd6 O24 Gd4 103.4(4) . . ?
Gd6 O24 Gd5 107.9(4) . . ?
C33 O24 Gd4 93.2(10) . . ?
C33 O24 Gd5 125.4(10) . . ?
C33 O24 Gd6 120.4(10) . . ?
C39 O25 Gd6 140.7(11) . . ?
C41 O27 Gd1 139.6(11) . 2_665 ?
Gd6 O28 Gd2 94.2(4) . 2_665 ?
C41 O28 Gd2 125.6(10) . 2_665 ?
C41 O28 Gd6 137.8(11) . . ?
C47 O29 Gd6 144.0(12) . . ?
C49 O31 Gd1 136(2) . . ?
C49X O31 Gd1 143(2) . . ?
C49X O31 C49 67(2) . . ?
C52 O32 Gd3 133.7(12) . . ?
C55X O33 Gd3 150(3) . . ?
C55 O33 Gd3 143(3) . . ?
C55 O33 C55X 11(6) . . ?
C58 O34 Gd5 129(5) . . ?
C58X O34 Gd5 126(5) . . ?
C58X O34 C58 7(9) . . ?
C64 O35 Gd6 146(2) . . ?
C52 N2 C53 119.4(17) . . ?
C52 N2 C54 122.3(18) . . ?
C54 N2 C53 118.0(17) . . ?
C61 N5 C62 121.6(18) . . ?
C61 N5 C63 121(2) . . ?
C62 N5 C63 117(2) . . ?
C64 N6 C65 121(3) . . ?
C64 N6 C66 124(3) . . ?
C66 N6 C65 115(3) . . ?
O7 C1 Gd2 61.1(9) . . ?
O7 C1 O8 119.3(15) . . ?
O7 C1 C2 119.9(17) . . ?
O8 C1 Gd2 59.1(8) . . ?
O8 C1 C2 120.8(15) . . ?
C2 C1 Gd2 169.3(13) . . ?
C3 C2 C1 117.9(16) . . ?
C3 C2 C7 122.7(19) . . ?
C7 C2 C1 119.3(17) . . ?
C2 C3 C4 122.9(19) . . ?
C3 C4 C5 117.8(19) . . ?
C6 C5 C4 121.3(19) . . ?
C5 C6 C7 123.5(17) . . ?
C5 C6 C8 121.4(18) . . ?
C7 C6 C8 114.9(18) . . ?
O9 C7 C2 125.0(17) . . ?
O9 C7 C6 123.5(16) . . ?
C6 C7 C2 111.5(18) . . ?
O10 C8 C6 123(2) . . ?
O11 C9 O12 125.7(17) . . ?
O11 C9 C10 115.9(15) . . ?
O12 C9 C10 118.4(17) . . ?
C11 C10 C9 120.0(17) . . ?
C11 C10 C15 118.4(17) . . ?
C15 C10 C9 121.5(15) . . ?
C10 C11 C12 127(2) . . ?
C11 C12 C13 115(2) . . ?
C12 C13 C14 121.5(19) . . ?
C13 C14 C16 118.1(19) . . ?
C15 C14 C13 123(2) . . ?
C15 C14 C16 119.1(19) . . ?
O13 C15 C10 121.9(17) . . ?
O13 C15 C14 123(2) . . ?
C14 C15 C10 115.3(16) . . ?
O14 C16 C14 125(2) . . ?
O15 C17 O16 122.9(16) . . ?
O15 C17 C18 119.2(16) . . ?
O16 C17 C18 117.9(16) . . ?
C19 C18 C17 114.6(19) . . ?
C23 C18 C17 124.2(18) . . ?
C23 C18 C19 121(2) . . ?
C18 C19 C20 123(2) . . ?
C21 C20 C19 116(2) . . ?
C20 C21 C22 123(2) . . ?
C21 C22 C23 121(2) . . ?
C21 C22 C24 122(2) . . ?
C24 C22 C23 118(2) . . ?
O17 C23 C18 124.6(18) . . ?
O17 C23 C22 119.8(19) . . ?
C18 C23 C22 115.6(19) . . ?
O18 C24 C22 126(3) . . ?
O19 C25 O20 121.4(16) . . ?
O19 C25 C26 117.1(16) . . ?
O20 C25 C26 121.5(15) . . ?
C27 C26 C25 118.7(16) . . ?
C27 C26 C31 118.9(17) . . ?
C31 C26 C25 121.8(15) . . ?
C26 C27 C28 124.0(19) . . ?
C29 C28 C27 117(2) . . ?
C28 C29 C30 123(2) . . ?
C29 C30 C31 120.1(18) . . ?
C29 C30 C32 122.2(18) . . ?
C31 C30 C32 117.5(16) . . ?
O21 C31 C26 124.0(16) . . ?
O21 C31 C30 119.3(15) . . ?
C30 C31 C26 116.8(15) . . ?
O22 C32 C30 124(2) . . ?
O23 C33 Gd4 61.4(9) . . ?
O23 C33 O24 121.1(15) . . ?
O23 C33 C34 122.3(15) . . ?
O24 C33 Gd4 60.2(8) . . ?
O24 C33 C34 116.6(16) . . ?
C34 C33 Gd4 170.9(12) . . ?
C35 C34 C33 113.5(17) . . ?
C35 C34 C39 121.7(17) . . ?
C39 C34 C33 124.4(15) . . ?
C36 C35 C34 118(2) . . ?
C37 C36 C35 120(2) . . ?
C36 C37 C38 123(2) . . ?
C37 C38 C39 121(2) . . ?
C37 C38 C40 121.8(19) . . ?
C39 C38 C40 117.1(18) . . ?
O25 C39 C34 121.1(15) . . ?
O25 C39 C38 123.5(17) . . ?
C38 C39 C34 115.3(16) . . ?
O26 C40 C38 122(2) . . ?
O27 C41 C42 117.0(15) . . ?
O28 C41 O27 122.7(16) . . ?
O28 C41 C42 120.3(14) . . ?
C43 C42 C41 114.8(16) . . ?
C47 C42 C41 124.1(16) . . ?
C47 C42 C43 121.0(18) . . ?
C42 C43 C44 122.3(19) . . ?
C45 C44 C43 118(2) . . ?
C44 C45 C46 120(2) . . ?
C45 C46 C47 123(2) . . ?
C45 C46 C48 120(2) . . ?
C47 C46 C48 116(2) . . ?
O29 C47 C42 123.3(18) . . ?
O29 C47 C46 120.7(17) . . ?
C42 C47 C46 115.8(16) . . ?
O30 C48 C46 124(3) . . ?
O32 C52 N2 124.4(19) . . ?
O1AA C61 N5 122(2) . . ?
O35 C64 N6 131(3) . . ?
C49 N1 C50 120.1(8) . . ?
C49 N1 C51 120.1(8) . . ?
C50 N1 C51 118.3(11) . . ?
C55X N3X C56X 121(2) . . ?
C55X N3X C57X 121(2) . . ?
C56X N3X C57X 118(4) . . ?
C58 N4 C59 114(3) . . ?
C58 N4 C60 114(3) . . ?
C59 N4 C60 131(5) . . ?
O31 C49 N1 124(2) . . ?
O33 C55X N3X 127(4) . . ?
O34 C58 N4 120(5) . . ?
C49X N1X C50X 120.5(8) . . ?
C49X N1X C51X 120.4(8) . . ?
C50X N1X C51X 118.6(10) . . ?
C55 N3 C56 125(2) . . ?
C55 N3 C57 124(2) . . ?
C56 N3 C57 111(4) . . ?
C58X N4X C59X 119(3) . . ?
C58X N4X C60X 119(3) . . ?
C60X N4X C59X 122(5) . . ?
O31 C49X N1X 122(2) . . ?
O33 C55 N3 132(4) . . ?
O34 C58X N4X 133(6) . . ?
C70X N8X C71X 123(4) . . ?
C70X N8X C72X 124(4) . . ?
C71X N8X C72X 113(7) . . ?
N8X C70X O37X 130(6) . . ?
C67 N7 C68 120(2) . . ?
C67 N7 C69 119(2) . . ?
C68 N7 C69 121(2) . . ?
O36 C67 N7 125(2) . . ?
C70 N8 C71 121(4) . . ?
C70 N8 C72 121(4) . . ?
C71 N8 C72 118(7) . . ?
N8 C70 O37 138(6) . . ?

_olex2_date_sample_data_collection 2017-04-05
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 2.000
_oxdiff_exptl_absorpt_empirical_full_min 0.744
