# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 1842955'
_audit_update_record             
;
2018-07-27 deposited with the CCDC.
2018-07-30 downloaded from the CCDC.
;
_audit_creation_date             2018-07-14
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C152 H120 Eu4 N12 O16, C2 H3 N'
_chemical_formula_sum            'C154 H125 Eu4 N13 O16'
_chemical_formula_weight         3021.50
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.822(4)
_cell_length_b                   21.597(4)
_cell_length_c                   18.153(4)
_cell_angle_alpha                90
_cell_angle_beta                 110.397(5)
_cell_angle_gamma                90
_cell_volume                     6549(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    8228
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.771
_shelx_estimated_absorpt_T_min   0.695
_exptl_absorpt_coefficient_mu    1.961
_exptl_absorpt_correction_T_max  0.7708
_exptl_absorpt_correction_T_min  0.6951
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    "'not measured'"
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3040
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0939
_diffrn_reflns_av_unetI/netI     0.0765
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            55381
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.020
_diffrn_reflns_theta_max         25.020
_diffrn_reflns_theta_min         3.042
_diffrn_ambient_temperature      133.15
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7383
_reflns_number_total             11522
_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       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.936
_refine_diff_density_min         -1.576
_refine_diff_density_rms         0.132
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     866
_refine_ls_number_reflns         11522
_refine_ls_number_restraints     291
_refine_ls_R_factor_all          0.0977
_refine_ls_R_factor_gt           0.0576
_refine_ls_restrained_S_all      0.988
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0945P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1403
_refine_ls_wR_factor_ref         0.1600
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C36-C39 = C36-C39'
 1.52 with sigma of 0.01
 C46-Eu2
 3.6 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C39 \\sim C40 \\sim C41 \\sim C42 \\sim C43 \\sim C44 \\sim C39' \\sim C40'
\\sim C41' \\sim C42' \\sim C43' \\sim C44': within 2A with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C39) \\sim Ueq, Uanis(C40) \\sim Ueq, Uanis(C41) \\sim Ueq, Uanis(C42)
\\sim Ueq, Uanis(C43) \\sim Ueq, Uanis(C44) \\sim Ueq, Uanis(C39') \\sim Ueq,
Uanis(C40') \\sim Ueq, Uanis(C41') \\sim Ueq, Uanis(C42') \\sim Ueq,
Uanis(C43') \\sim Ueq, Uanis(C44') \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C64) \\sim Ueq, Uanis(C65) \\sim Ueq, Uanis(C66) \\sim Ueq, Uanis(C77)
\\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(N7) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C39(0.5) C40(0.5) H40(0.5) C41(0.5) H41(0.5) C42(0.5) H42(0.5)
 C43(0.5) H43(0.5) C44(0.5) H44(0.5) C39'(0.5) C40'(0.5) H40'(0.5) C41'(0.5)
 H41'(0.5) C42'(0.5) H42'(0.5) C43'(0.5) H43'(0.5) C44'(0.5) H44'(0.5) N7(0.5)
 C77(0.5) C78(0.5) H78A(0.5) H78B(0.5) H78C(0.5)
5.a Riding coordinates:
 C78(H78A,H78B,H78C)
5.b Ternary CH refined with riding coordinates:
 O8(H8)
5.c Aromatic/amide H refined with riding coordinates:
 N2(H2), C3(H3), C4(H4), C7(H7), C8(H8A), C9(H9), C10(H10), C12(H12), C13(H13),
  C15(H15), C16(H16), C22(H22), C21(H21), C20(H20), C19(H19), C18(H18),
 C25(H25), C26(H26), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35),
  C37(H37), C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44),
 C40'(H40'), C41'(H41'), C42'(H42'), C43'(H43'), C44'(H44'), C48(H48), C51(H51),
  C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C59(H59), C60(H60),
 C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C69(H69), C74(H74)
5.d Fitted hexagon refined as free rotating group:
 C17(C22,C21,C20,C19,C18), C39(C40,C41,C42,C43,C44), C49(C48,C47,C46,C45,C50),
 C61(C62,C63,C64,C65,C66)
5.e Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C), C76(H76A,H76B,
 H76C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.62452(2) 0.91307(2) 1.12962(2) 0.04700(15) Uani 1 1 d . . . . .
Eu2 Eu 0.55798(2) 0.97448(2) 0.93146(2) 0.04503(14) Uani 1 1 d D . . . .
O1 O 0.6365(3) 0.8865(2) 1.0044(3) 0.0538(14) Uani 1 1 d . . . . .
O2 O 0.6500(3) 1.0023(2) 1.0606(3) 0.0553(14) Uani 1 1 d . . . . .
O3 O 0.4404(3) 1.0033(2) 0.8248(3) 0.0481(13) Uani 1 1 d . . . . .
O4 O 0.6383(4) 0.8736(3) 1.2523(3) 0.0649(16) Uani 1 1 d . . . . .
O5 O 0.5436(4) 0.8240(3) 1.1078(4) 0.0645(16) Uani 1 1 d . . . . .
O6 O 0.6199(3) 1.0571(3) 0.8925(4) 0.0580(15) Uani 1 1 d . . . . .
O7 O 0.5986(4) 0.9416(3) 0.8281(3) 0.0596(15) Uani 1 1 d . . . . .
N1 N 0.7220(4) 0.8246(3) 1.1348(5) 0.067(2) Uani 1 1 d . . . . .
N2 N 0.8553(5) 0.7080(4) 0.9833(6) 0.092(3) Uani 1 1 d . . . . .
H2 H 0.876104 0.684207 1.024762 0.110 Uiso 1 1 calc R . . . .
N3 N 0.7510(4) 0.9722(3) 1.2046(4) 0.068(2) Uani 1 1 d . . . . .
N4 N 0.8494(5) 1.1847(4) 1.2429(6) 0.090(3) Uani 1 1 d . . . . .
N5 N 0.4668(4) 0.8838(3) 0.8682(4) 0.0458(15) Uani 1 1 d . . . . .
N6 N 0.2648(6) 0.8187(4) 0.6233(5) 0.093(3) Uani 1 1 d . . . . .
C1 C 0.7316(5) 0.8068(4) 1.0621(5) 0.058(2) Uani 1 1 d . . . . .
C2 C 0.6844(5) 0.8430(4) 0.9953(5) 0.065(2) Uani 1 1 d . . . . .
O8 O 0.5044(3) 0.9404(2) 1.0300(3) 0.0432(12) Uani 1 1 d . . . . .
H8 H 0.467374 0.904275 1.011857 0.052 Uiso 1 1 calc R . . . .
C3 C 0.6929(7) 0.8287(5) 0.9237(6) 0.084(3) Uani 1 1 d . . . . .
H3 H 0.659978 0.848919 0.877212 0.101 Uiso 1 1 calc R . . . .
C4 C 0.7484(7) 0.7857(5) 0.9195(7) 0.095(4) Uani 1 1 d . . . . .
H4 H 0.754825 0.779001 0.870320 0.114 Uiso 1 1 calc R . . . .
C5 C 0.7950(7) 0.7519(5) 0.9838(6) 0.081(3) Uani 1 1 d . . . . .
C6 C 0.7841(6) 0.7626(5) 1.0574(6) 0.073(3) Uani 1 1 d . . . . .
C7 C 0.8241(7) 0.7275(5) 1.1273(7) 0.084(3) Uani 1 1 d . . . . .
H7 H 0.860155 0.695220 1.127108 0.100 Uiso 1 1 calc R . . . .
C8 C 0.8092(6) 0.7417(4) 1.1935(6) 0.070(3) Uani 1 1 d . . . . .
H8A H 0.833054 0.718056 1.239955 0.084 Uiso 1 1 calc R . . . .
C9 C 0.7599(6) 0.7898(5) 1.1933(6) 0.076(3) Uani 1 1 d . . . . .
H9 H 0.752761 0.798664 1.241655 0.092 Uiso 1 1 calc R . . . .
C10 C 0.8802(6) 0.7017(5) 0.9267(6) 0.072(3) Uani 1 1 d . . . . .
H10 H 0.857054 0.726533 0.881256 0.087 Uiso 1 1 calc R . . . .
C11 C 0.9417(6) 0.6587(4) 0.9280(6) 0.070(3) Uani 1 1 d . . . . .
C12 C 0.9579(7) 0.6459(5) 0.8612(7) 0.088(3) Uani 1 1 d . . . . .
H12 H 0.927524 0.666326 0.813838 0.105 Uiso 1 1 calc R . . . .
C13 C 1.0167(7) 0.6046(5) 0.8595(7) 0.088(3) Uani 1 1 d . . . . .
H13 H 1.025251 0.596650 0.811605 0.106 Uiso 1 1 calc R . . . .
C14 C 1.0626(6) 0.5750(5) 0.9273(6) 0.076(3) Uani 1 1 d . . . . .
C15 C 1.0473(7) 0.5870(5) 0.9922(7) 0.096(4) Uani 1 1 d . . . . .
H15 H 1.078448 0.566759 1.039438 0.115 Uiso 1 1 calc R . . . .
C16 C 0.9873(8) 0.6285(5) 0.9947(7) 0.098(4) Uani 1 1 d . . . . .
H16 H 0.978423 0.635388 1.042754 0.117 Uiso 1 1 calc R . . . .
C17 C 1.1291(4) 0.5313(3) 0.9290(5) 0.082(3) Uani 1 1 d . . . . .
C22 C 1.1395(5) 0.4774(4) 0.9732(5) 0.105(4) Uani 1 1 d G . . . .
H22 H 1.103700 0.467824 1.000033 0.126 Uiso 1 1 calc R . . . .
C21 C 1.2023(6) 0.4375(3) 0.9782(5) 0.110(4) Uani 1 1 d G . . . .
H21 H 1.209384 0.400639 1.008471 0.132 Uiso 1 1 calc R . . . .
C20 C 1.2546(5) 0.4515(4) 0.9390(6) 0.125(5) Uani 1 1 d G . . . .
H20 H 1.297516 0.424254 0.942453 0.150 Uiso 1 1 calc R . . . .
C19 C 1.2442(5) 0.5055(5) 0.8948(6) 0.131(5) Uani 1 1 d G . . . .
H19 H 1.279964 0.515053 0.867996 0.157 Uiso 1 1 calc R . . . .
C18 C 1.1814(6) 0.5454(3) 0.8898(5) 0.114(4) Uani 1 1 d G . . . .
H18 H 1.174280 0.582239 0.859557 0.137 Uiso 1 1 calc R . . . .
C23 C 0.7508(5) 1.0339(4) 1.1764(5) 0.063(2) Uani 1 1 d . . . . .
C24 C 0.6956(5) 1.0480(4) 1.1006(5) 0.053(2) Uani 1 1 d . . . . .
C25 C 0.6933(5) 1.1069(4) 1.0719(5) 0.057(2) Uani 1 1 d . . . . .
H25 H 0.658634 1.116530 1.020159 0.068 Uiso 1 1 calc R . . . .
C26 C 0.7425(6) 1.1531(4) 1.1192(6) 0.073(3) Uani 1 1 d . . . . .
H26 H 0.738185 1.194276 1.099711 0.087 Uiso 1 1 calc R . . . .
C27 C 0.7964(5) 1.1406(5) 1.1924(6) 0.073(3) Uani 1 1 d . . . . .
C28 C 0.8030(6) 1.0793(4) 1.2204(7) 0.079(3) Uani 1 1 d . . . . .
C29 C 0.8599(6) 1.0603(5) 1.2937(6) 0.089(4) Uani 1 1 d . . . . .
H29 H 0.896501 1.089489 1.326200 0.107 Uiso 1 1 calc R . . . .
C30 C 0.8619(7) 1.0025(5) 1.3164(7) 0.098(4) Uani 1 1 d . . . . .
H30 H 0.902234 0.989235 1.363495 0.118 Uiso 1 1 calc R . . . .
C31 C 0.8042(7) 0.9598(4) 1.2710(7) 0.089(3) Uani 1 1 d . . . . .
H31 H 0.805083 0.919119 1.291334 0.106 Uiso 1 1 calc R . . . .
C32 C 0.8273(7) 1.2418(5) 1.2389(7) 0.092(4) Uani 1 1 d . . . . .
H32 H 0.773988 1.252635 1.207687 0.111 Uiso 1 1 calc R . . . .
C33 C 0.8829(7) 1.2902(5) 1.2818(7) 0.095(4) Uani 1 1 d . . . . .
C34 C 0.9623(7) 1.2763(5) 1.3260(8) 0.115(5) Uani 1 1 d . . . . .
H34 H 0.980408 1.234697 1.329738 0.138 Uiso 1 1 calc R . . . .
C35 C 1.0151(8) 1.3230(5) 1.3646(8) 0.122(5) Uani 1 1 d . . . . .
H35 H 1.068843 1.312004 1.394109 0.146 Uiso 1 1 calc R . . . .
C36 C 0.9933(8) 1.3839(5) 1.3619(7) 0.104(4) Uani 1 1 d D . . . .
C37 C 0.9112(9) 1.3977(5) 1.3213(7) 0.096(4) Uani 1 1 d . . . . .
H37 H 0.892171 1.438712 1.321465 0.115 Uiso 1 1 calc R . . . .
C38 C 0.8576(7) 1.3503(4) 1.2803(7) 0.087(3) Uani 1 1 d . . . . .
H38 H 0.803402 1.360423 1.251499 0.104 Uiso 1 1 calc R . . . .
C39 C 1.0665(7) 1.4260(5) 1.4041(8) 0.072(3) Uani 0.5 1 d D U P A 1
C40 C 1.1299(8) 1.4081(4) 1.4706(8) 0.081(3) Uani 0.5 1 d G U P A 1
H40 H 1.135071 1.366057 1.487113 0.098 Uiso 0.5 1 calc R . P A 1
C41 C 1.1857(7) 1.4516(6) 1.5130(7) 0.081(3) Uani 0.5 1 d G U P A 1
H41 H 1.229042 1.439362 1.558410 0.098 Uiso 0.5 1 calc R . P A 1
C42 C 1.1782(7) 1.5131(5) 1.4888(7) 0.079(3) Uani 0.5 1 d G U P A 1
H42 H 1.216334 1.542863 1.517781 0.094 Uiso 0.5 1 calc R . P A 1
C43 C 1.1148(8) 1.5310(4) 1.4223(8) 0.078(3) Uani 0.5 1 d G U P A 1
H43 H 1.109656 1.573060 1.405854 0.094 Uiso 0.5 1 calc R . P A 1
C44 C 1.0590(7) 1.4875(6) 1.3800(7) 0.075(3) Uani 0.5 1 d G U P A 1
H44 H 1.015684 1.499755 1.334556 0.090 Uiso 0.5 1 calc R . P A 1
C39' C 1.0351(12) 1.4389(7) 1.4085(11) 0.069(3) Uani 0.5 1 d D U P A 2
C40' C 1.1151(12) 1.4331(10) 1.4141(12) 0.069(3) Uani 0.5 1 d . U P A 2
H40' H 1.132841 1.400631 1.388937 0.083 Uiso 0.5 1 calc R . P A 2
C41' C 1.1673(13) 1.4785(9) 1.4592(12) 0.075(3) Uani 0.5 1 d . U P A 2
H41' H 1.222433 1.476917 1.465520 0.090 Uiso 0.5 1 calc R . P A 2
C42' C 1.1390(13) 1.5262(10) 1.4951(13) 0.077(3) Uani 0.5 1 d . U P A 2
H42' H 1.175270 1.555734 1.527340 0.092 Uiso 0.5 1 calc R . P A 2
C43' C 1.0567(12) 1.5302(9) 1.4834(12) 0.073(3) Uani 0.5 1 d . U P A 2
H43' H 1.035962 1.563429 1.504746 0.088 Uiso 0.5 1 calc R . P A 2
C44' C 1.0063(12) 1.4834(8) 1.4389(11) 0.068(3) Uani 0.5 1 d . U P A 2
H44' H 0.950770 1.484236 1.431017 0.081 Uiso 0.5 1 calc R . P A 2
C49 C 0.3154(4) 0.8660(2) 0.6696(3) 0.081(3) Uani 1 1 d . . . . .
C48 C 0.3062(4) 0.9275(3) 0.6455(3) 0.089(4) Uani 1 1 d G . . . .
H48 H 0.270140 0.938025 0.594707 0.107 Uiso 1 1 calc R . . . .
C47 C 0.3499(4) 0.97358(19) 0.6957(3) 0.076(3) Uani 1 1 d G . . . .
C46 C 0.4027(3) 0.9582(2) 0.7701(3) 0.062(2) Uani 1 1 d DG . . . .
C45 C 0.4119(3) 0.8967(2) 0.7942(3) 0.054(2) Uani 1 1 d G . . . .
C50 C 0.3682(4) 0.85059(17) 0.7439(3) 0.069(3) Uani 1 1 d G . . . .
C51 C 0.3767(6) 0.7897(4) 0.7751(6) 0.070(3) Uani 1 1 d . . . . .
H51 H 0.345223 0.757264 0.744195 0.084 Uiso 1 1 calc R . . . .
C52 C 0.4279(6) 0.7772(4) 0.8467(6) 0.070(3) Uani 1 1 d . . . . .
H52 H 0.433024 0.736104 0.866576 0.085 Uiso 1 1 calc R . . . .
C53 C 0.4742(5) 0.8252(4) 0.8926(5) 0.062(2) Uani 1 1 d . . . . .
H53 H 0.512147 0.815521 0.942846 0.074 Uiso 1 1 calc R . . . .
C54 C 0.2357(7) 0.8202(5) 0.5518(6) 0.094(4) Uani 1 1 d . . . . .
H54 H 0.251735 0.852356 0.524832 0.113 Uiso 1 1 calc R . . . .
C55 C 0.1762(8) 0.7741(5) 0.5046(7) 0.101(4) Uani 1 1 d . . . . .
C56 C 0.1430(8) 0.7790(6) 0.4256(8) 0.114(5) Uani 1 1 d . . . . .
H56 H 0.161269 0.810561 0.399507 0.137 Uiso 1 1 calc R . . . .
C57 C 0.0821(9) 0.7386(7) 0.3809(8) 0.125(5) Uani 1 1 d . . . . .
H57 H 0.062386 0.741938 0.325183 0.150 Uiso 1 1 calc R . . . .
C58 C 0.0512(8) 0.6951(5) 0.4160(7) 0.096(4) Uani 1 1 d . . . . .
C59 C 0.0890(10) 0.6909(6) 0.4929(9) 0.134(6) Uani 1 1 d . . . . .
H59 H 0.073735 0.657982 0.519343 0.160 Uiso 1 1 calc R . . . .
C60 C 0.1471(9) 0.7291(7) 0.5371(8) 0.126(5) Uani 1 1 d . . . . .
H60 H 0.167725 0.723759 0.592541 0.152 Uiso 1 1 calc R . . . .
C61 C -0.0155(5) 0.6544(3) 0.3673(4) 0.090(3) Uani 1 1 d . . . . .
C62 C -0.0154(5) 0.6315(4) 0.2958(5) 0.099(4) Uani 1 1 d G . . . .
H62 H 0.026234 0.642887 0.276959 0.119 Uiso 1 1 calc R . . . .
C63 C -0.0760(5) 0.5921(4) 0.2518(4) 0.104(4) Uani 1 1 d G . . . .
H63 H -0.075943 0.576470 0.202863 0.124 Uiso 1 1 calc R . . . .
C64 C -0.1369(5) 0.5755(4) 0.2793(6) 0.117(4) Uani 1 1 d G U . . .
H64 H -0.178372 0.548493 0.249200 0.141 Uiso 1 1 calc R . . . .
C65 C -0.1370(5) 0.5983(5) 0.3508(6) 0.149(6) Uani 1 1 d G U . . .
H65 H -0.178626 0.586932 0.369633 0.179 Uiso 1 1 calc R . . . .
C66 C -0.0763(6) 0.6377(4) 0.3948(5) 0.125(5) Uani 1 1 d G U . . .
H66 H -0.076450 0.653349 0.443731 0.150 Uiso 1 1 calc R . . . .
C67 C 0.6180(9) 0.8352(6) 1.3662(7) 0.113(4) Uani 1 1 d . . . . .
H67A H 0.675474 0.832944 1.396287 0.170 Uiso 1 1 calc GR . . . .
H67B H 0.590723 0.800195 1.380373 0.170 Uiso 1 1 calc GR . . . .
H67C H 0.596403 0.874085 1.378263 0.170 Uiso 1 1 calc GR . . . .
C68 C 0.6045(6) 0.8326(5) 1.2784(6) 0.072(3) Uani 1 1 d . . . . .
C69 C 0.5559(7) 0.7865(5) 1.2329(7) 0.085(3) Uani 1 1 d . . . . .
H69 H 0.539609 0.754354 1.259637 0.102 Uiso 1 1 calc R . . . .
C70 C 0.5298(6) 0.7837(4) 1.1531(7) 0.069(3) Uani 1 1 d . . . . .
C71 C 0.4729(9) 0.7327(6) 1.1086(8) 0.127(5) Uani 1 1 d . . . . .
H71A H 0.423974 0.751296 1.071938 0.190 Uiso 1 1 calc GR . . . .
H71B H 0.459328 0.706198 1.145959 0.190 Uiso 1 1 calc GR . . . .
H71C H 0.498828 0.707708 1.079179 0.190 Uiso 1 1 calc GR . . . .
C72 C 0.6619(9) 1.1369(5) 0.8282(8) 0.116(5) Uani 1 1 d . . . . .
H72A H 0.617298 1.163857 0.827295 0.175 Uiso 1 1 calc GR . . . .
H72B H 0.673000 1.142328 0.779359 0.175 Uiso 1 1 calc GR . . . .
H72C H 0.709565 1.147898 0.873086 0.175 Uiso 1 1 calc GR . . . .
C73 C 0.6399(7) 1.0702(5) 0.8355(8) 0.085(3) Uani 1 1 d . . . . .
C74 C 0.6408(10) 1.0280(6) 0.7773(8) 0.115(5) Uani 1 1 d . . . . .
H74 H 0.656479 1.042381 0.735357 0.138 Uiso 1 1 calc R . . . .
C75 C 0.6197(7) 0.9655(5) 0.7777(6) 0.076(3) Uani 1 1 d . . . . .
C76 C 0.6227(11) 0.9230(6) 0.7119(8) 0.132(6) Uani 1 1 d . . . . .
H76A H 0.668197 0.934467 0.696296 0.198 Uiso 1 1 calc GR . . . .
H76B H 0.572924 0.927117 0.666683 0.198 Uiso 1 1 calc GR . . . .
H76C H 0.628815 0.880005 0.730361 0.198 Uiso 1 1 calc GR . . . .
N7 N 0.3391(16) 0.6448(13) 0.8955(17) 0.133(9) Uani 0.5 1 d . U P . .
C77 C 0.3736(19) 0.6177(15) 0.9399(19) 0.112(9) Uani 0.5 1 d . U P . .
C78 C 0.443(3) 0.5812(17) 0.993(3) 0.196(16) Uani 0.5 1 d . U P . .
H78A H 0.431291 0.537209 0.981113 0.294 Uiso 0.5 1 d R . P . .
H78B H 0.448721 0.589239 1.047773 0.294 Uiso 0.5 1 d R . P . .
H78C H 0.492361 0.592319 0.984313 0.294 Uiso 0.5 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
Eu1 Eu2 3.6238(9) . ?
Eu1 Eu2 3.8979(8) 3_677 ?
Eu1 O1 2.424(5) . ?
Eu1 O2 2.428(5) . ?
Eu1 O3 2.441(5) 3_677 ?
Eu1 O4 2.316(6) . ?
Eu1 O5 2.353(6) . ?
Eu1 N1 2.561(7) . ?
Eu1 N3 2.535(7) . ?
Eu1 O8 2.346(5) . ?
Eu2 Eu2 3.9068(10) 3_677 ?
Eu2 O1 2.455(5) . ?
Eu2 O2 2.422(5) . ?
Eu2 O3 2.388(5) . ?
Eu2 O6 2.333(6) . ?
Eu2 O7 2.343(6) . ?
Eu2 N5 2.549(6) . ?
Eu2 O8 2.419(5) . ?
Eu2 O8 2.376(5) 3_677 ?
O1 C2 1.318(10) . ?
O2 C24 1.323(9) . ?
O3 C46 1.386(6) . ?
O4 C68 1.253(11) . ?
O5 C70 1.280(11) . ?
O6 C73 1.239(12) . ?
O7 C75 1.219(11) . ?
N1 C1 1.441(11) . ?
N1 C9 1.283(11) . ?
N2 H2 0.8800 . ?
N2 C5 1.436(12) . ?
N2 C10 1.258(12) . ?
N3 C23 1.428(11) . ?
N3 C31 1.276(12) . ?
N4 C27 1.426(11) . ?
N4 C32 1.290(12) . ?
N5 C45 1.388(7) . ?
N5 C53 1.332(10) . ?
N6 C49 1.427(9) . ?
N6 C54 1.219(12) . ?
C1 C2 1.441(11) . ?
C1 C6 1.360(12) . ?
C2 C3 1.394(13) . ?
O8 H8 1.0000 . ?
C3 H3 0.9500 . ?
C3 C4 1.378(13) . ?
C4 H4 0.9500 . ?
C4 C5 1.382(14) . ?
C5 C6 1.435(14) . ?
C6 C7 1.435(13) . ?
C7 H7 0.9500 . ?
C7 C8 1.352(14) . ?
C8 H8A 0.9500 . ?
C8 C9 1.361(13) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.431(13) . ?
C11 C12 1.369(14) . ?
C11 C16 1.367(14) . ?
C12 H12 0.9500 . ?
C12 C13 1.384(15) . ?
C13 H13 0.9500 . ?
C13 C14 1.375(14) . ?
C14 C15 1.324(14) . ?
C14 C17 1.505(12) . ?
C15 H15 0.9500 . ?
C15 C16 1.408(15) . ?
C16 H16 0.9500 . ?
C17 C22 1.3900 . ?
C17 C18 1.3900 . ?
C22 H22 0.9500 . ?
C22 C21 1.3900 . ?
C21 H21 0.9500 . ?
C21 C20 1.3900 . ?
C20 H20 0.9500 . ?
C20 C19 1.3900 . ?
C19 H19 0.9500 . ?
C19 C18 1.3900 . ?
C18 H18 0.9500 . ?
C23 C24 1.418(11) . ?
C23 C28 1.396(12) . ?
C24 C25 1.370(12) . ?
C25 H25 0.9500 . ?
C25 C26 1.405(12) . ?
C26 H26 0.9500 . ?
C26 C27 1.368(13) . ?
C27 C28 1.408(13) . ?
C28 C29 1.424(14) . ?
C29 H29 0.9500 . ?
C29 C30 1.312(14) . ?
C30 H30 0.9500 . ?
C30 C31 1.412(14) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.465(14) . ?
C33 C34 1.394(15) . ?
C33 C38 1.372(14) . ?
C34 H34 0.9500 . ?
C34 C35 1.389(15) . ?
C35 H35 0.9500 . ?
C35 C36 1.369(16) . ?
C36 C37 1.422(17) . ?
C36 C39 1.555(9) . ?
C36 C39' 1.496(10) . ?
C37 H37 0.9500 . ?
C37 C38 1.420(15) . ?
C38 H38 0.9500 . ?
C39 C40 1.3900 . ?
C39 C44 1.3900 . ?
C40 H40 0.9500 . ?
C40 C41 1.3900 . ?
C41 H41 0.9500 . ?
C41 C42 1.3900 . ?
C42 H42 0.9500 . ?
C42 C43 1.3900 . ?
C43 H43 0.9500 . ?
C43 C44 1.3900 . ?
C44 H44 0.9500 . ?
C39' C40' 1.40(3) . ?
C39' C44' 1.30(2) . ?
C40' H40' 0.9500 . ?
C40' C41' 1.40(3) . ?
C41' H41' 0.9500 . ?
C41' C42' 1.40(3) . ?
C42' H42' 0.9500 . ?
C42' C43' 1.41(3) . ?
C43' H43' 0.9500 . ?
C43' C44' 1.41(3) . ?
C44' H44' 0.9500 . ?
C49 C48 1.3900 . ?
C49 C50 1.3900 . ?
C48 H48 0.9500 . ?
C48 C47 1.3900 . ?
C47 C46 1.3900 . ?
C46 C45 1.3900 . ?
C45 C50 1.3900 . ?
C50 C51 1.418(10) . ?
C51 H51 0.9500 . ?
C51 C52 1.329(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.404(11) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C54 C55 1.487(15) . ?
C55 C56 1.352(16) . ?
C55 C60 1.333(19) . ?
C56 H56 0.9500 . ?
C56 C57 1.408(16) . ?
C57 H57 0.9500 . ?
C57 C58 1.356(19) . ?
C58 C59 1.325(16) . ?
C58 C61 1.496(13) . ?
C59 H59 0.9500 . ?
C59 C60 1.347(17) . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 C66 1.3900 . ?
C62 H62 0.9500 . ?
C62 C63 1.3900 . ?
C63 H63 0.9500 . ?
C63 C64 1.3900 . ?
C64 H64 0.9500 . ?
C64 C65 1.3900 . ?
C65 H65 0.9500 . ?
C65 C66 1.3900 . ?
C66 H66 0.9500 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C67 C68 1.528(15) . ?
C68 C69 1.386(14) . ?
C69 H69 0.9500 . ?
C69 C70 1.359(14) . ?
C70 C71 1.525(14) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C72 C73 1.511(14) . ?
C73 C74 1.401(16) . ?
C74 H74 0.9500 . ?
C74 C75 1.401(15) . ?
C75 C76 1.522(15) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
N7 C77 1.01(3) . ?
C77 C78 1.50(5) . ?
C78 H78A 0.9799 . ?
C78 H78B 0.9799 . ?
C78 H78C 0.9800 . ?

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
Eu2 Eu1 Eu2 62.459(13) . 3_677 ?
O1 Eu1 Eu2 42.37(12) . . ?
O1 Eu1 Eu2 102.59(12) . 3_677 ?
O1 Eu1 O2 67.05(18) . . ?
O1 Eu1 O3 134.43(17) . 3_677 ?
O1 Eu1 N1 65.0(2) . . ?
O1 Eu1 N3 105.7(2) . . ?
O2 Eu1 Eu2 69.28(13) . 3_677 ?
O2 Eu1 Eu2 41.59(12) . . ?
O2 Eu1 O3 77.49(18) . 3_677 ?
O2 Eu1 N1 111.4(2) . . ?
O2 Eu1 N3 65.5(2) . . ?
O3 Eu1 Eu2 92.06(12) 3_677 . ?
O3 Eu1 Eu2 35.72(11) 3_677 3_677 ?
O3 Eu1 N1 159.3(2) 3_677 . ?
O3 Eu1 N3 83.3(2) 3_677 . ?
O4 Eu1 Eu2 167.80(16) . . ?
O4 Eu1 Eu2 107.51(15) . 3_677 ?
O4 Eu1 O1 143.14(19) . . ?
O4 Eu1 O2 144.3(2) . . ?
O4 Eu1 O3 81.37(19) . 3_677 ?
O4 Eu1 O5 73.4(2) . . ?
O4 Eu1 N1 81.2(2) . . ?
O4 Eu1 N3 83.8(2) . . ?
O4 Eu1 O8 126.6(2) . . ?
O5 Eu1 Eu2 93.43(15) . 3_677 ?
O5 Eu1 Eu2 99.35(16) . . ?
O5 Eu1 O1 84.1(2) . . ?
O5 Eu1 O2 140.9(2) . . ?
O5 Eu1 O3 109.1(2) . 3_677 ?
O5 Eu1 N1 76.4(2) . . ?
O5 Eu1 N3 151.7(2) . . ?
N1 Eu1 Eu2 164.39(18) . 3_677 ?
N1 Eu1 Eu2 107.01(18) . . ?
N3 Eu1 Eu2 105.72(18) . . ?
N3 Eu1 Eu2 109.68(16) . 3_677 ?
N3 Eu1 N1 83.7(2) . . ?
O8 Eu1 Eu2 34.62(11) . 3_677 ?
O8 Eu1 Eu2 41.23(13) . . ?
O8 Eu1 O1 72.06(17) . . ?
O8 Eu1 O2 71.78(17) . . ?
O8 Eu1 O3 70.25(16) . 3_677 ?
O8 Eu1 O5 74.60(19) . . ?
O8 Eu1 N1 129.9(2) . . ?
O8 Eu1 N3 133.6(2) . . ?
Eu1 Eu2 Eu1 117.543(13) . 3_677 ?
Eu1 Eu2 Eu2 55.332(16) 3_677 3_677 ?
Eu1 Eu2 Eu2 62.211(18) . 3_677 ?
O1 Eu2 Eu1 41.72(13) . . ?
O1 Eu2 Eu1 153.85(14) . 3_677 ?
O1 Eu2 Eu2 101.73(13) . 3_677 ?
O1 Eu2 N5 78.59(19) . . ?
O2 Eu2 Eu1 109.71(13) . 3_677 ?
O2 Eu2 Eu1 41.71(13) . . ?
O2 Eu2 Eu2 69.15(14) . 3_677 ?
O2 Eu2 O1 66.65(18) . . ?
O2 Eu2 N5 137.51(19) . . ?
O3 Eu2 Eu1 142.33(14) . . ?
O3 Eu2 Eu1 36.63(12) . 3_677 ?
O3 Eu2 Eu2 86.19(13) . 3_677 ?
O3 Eu2 O1 144.39(17) . . ?
O3 Eu2 O2 145.83(17) . . ?
O3 Eu2 N5 65.99(18) . . ?
O3 Eu2 O8 102.59(18) . . ?
O6 Eu2 Eu1 82.72(14) . 3_677 ?
O6 Eu2 Eu1 123.71(15) . . ?
O6 Eu2 Eu2 112.85(15) . 3_677 ?
O6 Eu2 O1 120.9(2) . . ?
O6 Eu2 O2 82.6(2) . . ?
O6 Eu2 O3 85.95(19) . . ?
O6 Eu2 O7 71.2(2) . . ?
O6 Eu2 N5 138.2(2) . . ?
O6 Eu2 O8 79.42(19) . 3_677 ?
O6 Eu2 O8 143.86(18) . . ?
O7 Eu2 Eu1 114.88(14) . 3_677 ?
O7 Eu2 Eu1 126.74(14) . . ?
O7 Eu2 Eu2 167.09(14) . 3_677 ?
O7 Eu2 O1 85.45(19) . . ?
O7 Eu2 O2 123.8(2) . . ?
O7 Eu2 O3 81.85(19) . . ?
O7 Eu2 N5 74.5(2) . . ?
O7 Eu2 O8 140.91(19) . 3_677 ?
O7 Eu2 O8 144.28(18) . . ?
N5 Eu2 Eu1 95.88(14) . . ?
N5 Eu2 Eu1 90.75(14) . 3_677 ?
N5 Eu2 Eu2 96.21(15) . 3_677 ?
O8 Eu2 Eu1 90.93(12) 3_677 . ?
O8 Eu2 Eu1 34.11(11) 3_677 3_677 ?
O8 Eu2 Eu1 39.74(11) . . ?
O8 Eu2 Eu1 83.95(11) . 3_677 ?
O8 Eu2 Eu2 35.07(11) . 3_677 ?
O8 Eu2 Eu2 35.80(12) 3_677 3_677 ?
O8 Eu2 O1 70.31(17) . . ?
O8 Eu2 O1 132.62(17) 3_677 . ?
O8 Eu2 O2 75.63(17) 3_677 . ?
O8 Eu2 O2 70.66(18) . . ?
O8 Eu2 O3 70.66(16) 3_677 . ?
O8 Eu2 N5 115.93(18) 3_677 . ?
O8 Eu2 N5 75.23(19) . . ?
O8 Eu2 O8 70.87(19) 3_677 . ?
Eu1 O1 Eu2 95.91(18) . . ?
C2 O1 Eu1 123.9(5) . . ?
C2 O1 Eu2 139.1(5) . . ?
Eu2 O2 Eu1 96.70(18) . . ?
C24 O2 Eu1 119.9(5) . . ?
C24 O2 Eu2 142.8(5) . . ?
Eu2 O3 Eu1 107.65(18) . 3_677 ?
C46 O3 Eu1 126.5(4) . 3_677 ?
C46 O3 Eu2 117.9(3) . . ?
C68 O4 Eu1 136.0(6) . . ?
C70 O5 Eu1 133.8(6) . . ?
C73 O6 Eu2 137.1(7) . . ?
C75 O7 Eu2 137.4(6) . . ?
C1 N1 Eu1 117.4(5) . . ?
C9 N1 Eu1 128.5(7) . . ?
C9 N1 C1 113.8(8) . . ?
C5 N2 H2 118.2 . . ?
C10 N2 H2 118.2 . . ?
C10 N2 C5 123.7(9) . . ?
C23 N3 Eu1 112.8(5) . . ?
C31 N3 Eu1 129.1(7) . . ?
C31 N3 C23 116.3(8) . . ?
C32 N4 C27 118.8(9) . . ?
C45 N5 Eu2 113.9(4) . . ?
C53 N5 Eu2 127.4(5) . . ?
C53 N5 C45 117.9(6) . . ?
C54 N6 C49 123.7(10) . . ?
N1 C1 C2 113.9(8) . . ?
C6 C1 N1 123.3(8) . . ?
C6 C1 C2 122.8(9) . . ?
O1 C2 C1 119.7(8) . . ?
O1 C2 C3 124.1(8) . . ?
C3 C2 C1 116.3(8) . . ?
Eu1 O8 Eu2 99.03(18) . . ?
Eu1 O8 Eu2 111.28(18) . 3_677 ?
Eu1 O8 H8 112.2 . . ?
Eu2 O8 Eu2 109.13(19) 3_677 . ?
Eu2 O8 H8 112.2 3_677 . ?
Eu2 O8 H8 112.2 . . ?
C2 C3 H3 119.5 . . ?
C4 C3 C2 121.0(9) . . ?
C4 C3 H3 119.5 . . ?
C3 C4 H4 118.6 . . ?
C3 C4 C5 122.7(10) . . ?
C5 C4 H4 118.6 . . ?
C4 C5 N2 125.0(10) . . ?
C4 C5 C6 117.7(9) . . ?
C6 C5 N2 117.2(9) . . ?
C1 C6 C5 119.4(9) . . ?
C1 C6 C7 117.1(9) . . ?
C5 C6 C7 123.5(9) . . ?
C6 C7 H7 120.8 . . ?
C8 C7 C6 118.4(9) . . ?
C8 C7 H7 120.8 . . ?
C7 C8 H8A 120.1 . . ?
C7 C8 C9 119.7(9) . . ?
C9 C8 H8A 120.1 . . ?
N1 C9 C8 127.1(10) . . ?
N1 C9 H9 116.4 . . ?
C8 C9 H9 116.4 . . ?
N2 C10 H10 118.6 . . ?
N2 C10 C11 122.9(10) . . ?
C11 C10 H10 118.6 . . ?
C12 C11 C10 121.0(9) . . ?
C16 C11 C10 122.6(10) . . ?
C16 C11 C12 116.4(10) . . ?
C11 C12 H12 118.5 . . ?
C11 C12 C13 123.0(10) . . ?
C13 C12 H12 118.5 . . ?
C12 C13 H13 120.0 . . ?
C14 C13 C12 120.0(11) . . ?
C14 C13 H13 120.0 . . ?
C13 C14 C17 121.9(10) . . ?
C15 C14 C13 117.5(10) . . ?
C15 C14 C17 120.6(10) . . ?
C14 C15 H15 118.4 . . ?
C14 C15 C16 123.2(11) . . ?
C16 C15 H15 118.4 . . ?
C11 C16 C15 119.9(11) . . ?
C11 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C22 C17 C14 118.8(7) . . ?
C22 C17 C18 120.0 . . ?
C18 C17 C14 121.1(7) . . ?
C17 C22 H22 120.0 . . ?
C21 C22 C17 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C21 H21 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C20 C19 C18 120.0 . . ?
C18 C19 H19 120.0 . . ?
C17 C18 H18 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18 120.0 . . ?
C24 C23 N3 117.6(7) . . ?
C28 C23 N3 122.2(8) . . ?
C28 C23 C24 120.2(9) . . ?
O2 C24 C23 117.3(7) . . ?
O2 C24 C25 123.5(7) . . ?
C25 C24 C23 119.2(7) . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(8) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 119.0 . . ?
C27 C26 C25 122.0(9) . . ?
C27 C26 H26 119.0 . . ?
C26 C27 N4 125.2(9) . . ?
C26 C27 C28 118.6(9) . . ?
C28 C27 N4 116.2(9) . . ?
C23 C28 C27 119.9(9) . . ?
C23 C28 C29 116.6(9) . . ?
C27 C28 C29 123.5(9) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0(9) . . ?
C30 C29 H29 120.0 . . ?
C29 C30 H30 119.8 . . ?
C29 C30 C31 120.3(10) . . ?
C31 C30 H30 119.8 . . ?
N3 C31 C30 124.3(9) . . ?
N3 C31 H31 117.8 . . ?
C30 C31 H31 117.8 . . ?
N4 C32 H32 119.5 . . ?
N4 C32 C33 121.1(10) . . ?
C33 C32 H32 119.5 . . ?
C34 C33 C32 121.1(9) . . ?
C38 C33 C32 120.5(11) . . ?
C38 C33 C34 118.4(10) . . ?
C33 C34 H34 119.7 . . ?
C35 C34 C33 120.5(11) . . ?
C35 C34 H34 119.7 . . ?
C34 C35 H35 118.5 . . ?
C36 C35 C34 123.0(12) . . ?
C36 C35 H35 118.5 . . ?
C35 C36 C37 116.5(9) . . ?
C35 C36 C39 111.5(12) . . ?
C35 C36 C39' 131.7(13) . . ?
C37 C36 C39 132.0(11) . . ?
C37 C36 C39' 110.3(13) . . ?
C36 C37 H37 119.8 . . ?
C38 C37 C36 120.3(10) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 C37 121.0(12) . . ?
C33 C38 H38 119.5 . . ?
C37 C38 H38 119.5 . . ?
C40 C39 C36 123.6(9) . . ?
C40 C39 C44 120.0 . . ?
C44 C39 C36 115.5(9) . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0 . . ?
C41 C40 H40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C40 C41 C42 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C41 C42 C43 120.0 . . ?
C43 C42 H42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C42 C43 C44 120.0 . . ?
C44 C43 H43 120.0 . . ?
C39 C44 H44 120.0 . . ?
C43 C44 C39 120.0 . . ?
C43 C44 H44 120.0 . . ?
C40' C39' C36 105.3(15) . . ?
C44' C39' C36 129.4(18) . . ?
C44' C39' C40' 125.3(15) . . ?
C39' C40' H40' 122.2 . . ?
C39' C40' C41' 115.6(18) . . ?
C41' C40' H40' 122.2 . . ?
C40' C41' H41' 119.6 . . ?
C40' C41' C42' 121(2) . . ?
C42' C41' H41' 119.6 . . ?
C41' C42' H42' 120.1 . . ?
C41' C42' C43' 120(2) . . ?
C43' C42' H42' 120.1 . . ?
C42' C43' H43' 121.1 . . ?
C44' C43' C42' 117.8(19) . . ?
C44' C43' H43' 121.1 . . ?
C39' C44' C43' 120.6(19) . . ?
C39' C44' H44' 119.7 . . ?
C43' C44' H44' 119.7 . . ?
C48 C49 N6 121.2(5) . . ?
C48 C49 C50 120.0 . . ?
C50 C49 N6 118.4(5) . . ?
C49 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C46 C47 C48 120.0 . . ?
O3 C46 C47 121.5(4) . . ?
O3 C46 C45 118.1(4) . . ?
C47 C46 C45 120.0 . . ?
N5 C45 C46 117.6(4) . . ?
N5 C45 C50 122.4(4) . . ?
C50 C45 C46 120.0 . . ?
C49 C50 C51 123.4(5) . . ?
C45 C50 C49 120.0 . . ?
C45 C50 C51 116.4(5) . . ?
C50 C51 H51 119.3 . . ?
C52 C51 C50 121.4(8) . . ?
C52 C51 H51 119.3 . . ?
C51 C52 H52 120.3 . . ?
C51 C52 C53 119.4(9) . . ?
C53 C52 H52 120.3 . . ?
N5 C53 C52 122.3(8) . . ?
N5 C53 H53 118.8 . . ?
C52 C53 H53 118.8 . . ?
N6 C54 H54 118.4 . . ?
N6 C54 C55 123.3(12) . . ?
C55 C54 H54 118.4 . . ?
C56 C55 C54 121.3(13) . . ?
C60 C55 C54 122.9(11) . . ?
C60 C55 C56 115.6(12) . . ?
C55 C56 H56 119.1 . . ?
C55 C56 C57 121.9(15) . . ?
C57 C56 H56 119.1 . . ?
C56 C57 H57 119.5 . . ?
C58 C57 C56 121.0(13) . . ?
C58 C57 H57 119.5 . . ?
C57 C58 C61 120.0(10) . . ?
C59 C58 C57 113.7(13) . . ?
C59 C58 C61 126.2(13) . . ?
C58 C59 H59 116.9 . . ?
C58 C59 C60 126.1(15) . . ?
C60 C59 H59 116.9 . . ?
C55 C60 C59 121.3(14) . . ?
C55 C60 H60 119.4 . . ?
C59 C60 H60 119.4 . . ?
C62 C61 C58 120.0(8) . . ?
C62 C61 C66 120.0 . . ?
C66 C61 C58 119.9(8) . . ?
C61 C62 H62 120.0 . . ?
C63 C62 C61 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63 120.0 . . ?
C63 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C61 C66 H66 120.0 . . ?
C65 C66 C61 120.0 . . ?
C65 C66 H66 120.0 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
O4 C68 C67 116.5(10) . . ?
O4 C68 C69 124.4(10) . . ?
C69 C68 C67 119.1(10) . . ?
C68 C69 H69 117.3 . . ?
C70 C69 C68 125.3(9) . . ?
C70 C69 H69 117.3 . . ?
O5 C70 C69 125.6(9) . . ?
O5 C70 C71 113.1(10) . . ?
C69 C70 C71 121.0(10) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 C72 H72A 109.5 . . ?
C73 C72 H72B 109.5 . . ?
C73 C72 H72C 109.5 . . ?
O6 C73 C72 116.8(10) . . ?
O6 C73 C74 124.3(10) . . ?
C74 C73 C72 118.9(11) . . ?
C73 C74 H74 118.3 . . ?
C73 C74 C75 123.3(10) . . ?
C75 C74 H74 118.3 . . ?
O7 C75 C74 124.4(9) . . ?
O7 C75 C76 116.0(9) . . ?
C74 C75 C76 119.6(10) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N7 C77 C78 162(4) . . ?
C77 C78 H78A 108.0 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 110.8 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 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 O1 C2 C1 1.9(11) . . . . ?
Eu1 O1 C2 C3 -178.3(8) . . . . ?
Eu1 O2 C24 C23 23.1(10) . . . . ?
Eu1 O2 C24 C25 -158.6(7) . . . . ?
Eu1 O3 C46 C47 54.4(6) 3_677 . . . ?
Eu1 O3 C46 C45 -118.5(4) 3_677 . . . ?
Eu1 O4 C68 C67 -162.8(8) . . . . ?
Eu1 O4 C68 C69 16.3(15) . . . . ?
Eu1 O5 C70 C69 7.0(16) . . . . ?
Eu1 O5 C70 C71 -178.4(8) . . . . ?
Eu1 N1 C1 C2 0.8(10) . . . . ?
Eu1 N1 C1 C6 176.9(7) . . . . ?
Eu1 N1 C9 C8 177.4(8) . . . . ?
Eu1 N3 C23 C24 -17.8(11) . . . . ?
Eu1 N3 C23 C28 163.0(8) . . . . ?
Eu1 N3 C31 C30 -164.2(10) . . . . ?
Eu2 O1 C2 C1 167.4(6) . . . . ?
Eu2 O1 C2 C3 -12.9(15) . . . . ?
Eu2 O2 C24 C23 -168.9(6) . . . . ?
Eu2 O2 C24 C25 9.5(15) . . . . ?
Eu2 O3 C46 C47 -160.7(3) . . . . ?
Eu2 O3 C46 C45 26.4(6) . . . . ?
Eu2 O6 C73 C72 166.1(8) . . . . ?
Eu2 O6 C73 C74 -11.8(19) . . . . ?
Eu2 O7 C75 C74 13.2(19) . . . . ?
Eu2 O7 C75 C76 -166.9(9) . . . . ?
Eu2 N5 C45 C46 -11.6(6) . . . . ?
Eu2 N5 C45 C50 166.9(3) . . . . ?
Eu2 N5 C53 C52 -169.8(7) . . . . ?
O1 C2 C3 C4 175.2(10) . . . . ?
O2 C24 C25 C26 178.5(8) . . . . ?
O3 C46 C45 N5 -8.6(7) . . . . ?
O3 C46 C45 C50 172.9(6) . . . . ?
O4 C68 C69 C70 -8.8(18) . . . . ?
O6 C73 C74 C75 -1(2) . . . . ?
N1 C1 C2 O1 -1.7(12) . . . . ?
N1 C1 C2 C3 178.5(9) . . . . ?
N1 C1 C6 C5 -174.2(9) . . . . ?
N1 C1 C6 C7 7.6(14) . . . . ?
N2 C5 C6 C1 175.5(10) . . . . ?
N2 C5 C6 C7 -6.5(17) . . . . ?
N2 C10 C11 C12 169.3(11) . . . . ?
N2 C10 C11 C16 -10.9(17) . . . . ?
N3 C23 C24 O2 -2.0(13) . . . . ?
N3 C23 C24 C25 179.5(8) . . . . ?
N3 C23 C28 C27 -175.3(10) . . . . ?
N3 C23 C28 C29 3.1(16) . . . . ?
N4 C27 C28 C23 176.8(10) . . . . ?
N4 C27 C28 C29 -1.5(17) . . . . ?
N4 C32 C33 C34 2(2) . . . . ?
N4 C32 C33 C38 -176.7(13) . . . . ?
N5 C45 C50 C49 -178.4(7) . . . . ?
N5 C45 C50 C51 6.0(8) . . . . ?
N6 C49 C48 C47 172.4(8) . . . . ?
N6 C49 C50 C45 -172.7(8) . . . . ?
N6 C49 C50 C51 2.6(9) . . . . ?
N6 C54 C55 C56 177.2(13) . . . . ?
N6 C54 C55 C60 3(2) . . . . ?
C1 N1 C9 C8 3.3(15) . . . . ?
C1 C2 C3 C4 -5.0(16) . . . . ?
C1 C6 C7 C8 -1.9(16) . . . . ?
C2 C1 C6 C5 1.5(15) . . . . ?
C2 C1 C6 C7 -176.6(9) . . . . ?
C2 C3 C4 C5 4(2) . . . . ?
C3 C4 C5 N2 -177.9(12) . . . . ?
C3 C4 C5 C6 0.2(19) . . . . ?
C4 C5 C6 C1 -2.8(16) . . . . ?
C4 C5 C6 C7 175.2(12) . . . . ?
C5 N2 C10 C11 178.5(10) . . . . ?
C5 C6 C7 C8 -180.0(11) . . . . ?
C6 C1 C2 O1 -177.8(9) . . . . ?
C6 C1 C2 C3 2.4(14) . . . . ?
C6 C7 C8 C9 -2.7(16) . . . . ?
C7 C8 C9 N1 2.0(17) . . . . ?
C9 N1 C1 C2 175.6(9) . . . . ?
C9 N1 C1 C6 -8.3(13) . . . . ?
C10 N2 C5 C4 10.2(19) . . . . ?
C10 N2 C5 C6 -167.9(11) . . . . ?
C10 C11 C12 C13 -179.8(11) . . . . ?
C10 C11 C16 C15 -179.5(11) . . . . ?
C11 C12 C13 C14 -1.0(18) . . . . ?
C12 C11 C16 C15 0.3(17) . . . . ?
C12 C13 C14 C15 1.0(18) . . . . ?
C12 C13 C14 C17 -177.9(10) . . . . ?
C13 C14 C15 C16 -0.3(19) . . . . ?
C13 C14 C17 C22 -140.0(10) . . . . ?
C13 C14 C17 C18 42.5(13) . . . . ?
C14 C15 C16 C11 0(2) . . . . ?
C14 C17 C22 C21 -177.5(8) . . . . ?
C14 C17 C18 C19 177.5(8) . . . . ?
C15 C14 C17 C22 41.2(13) . . . . ?
C15 C14 C17 C18 -136.3(10) . . . . ?
C16 C11 C12 C13 0.4(17) . . . . ?
C17 C14 C15 C16 178.5(11) . . . . ?
C17 C22 C21 C20 0.0 . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
C22 C21 C20 C19 0.0 . . . . ?
C21 C20 C19 C18 0.0 . . . . ?
C20 C19 C18 C17 0.0 . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
C23 N3 C31 C30 -0.8(18) . . . . ?
C23 C24 C25 C26 -3.2(13) . . . . ?
C23 C28 C29 C30 0.7(18) . . . . ?
C24 C23 C28 C27 5.5(16) . . . . ?
C24 C23 C28 C29 -176.1(10) . . . . ?
C24 C25 C26 C27 3.5(15) . . . . ?
C25 C26 C27 N4 178.5(10) . . . . ?
C25 C26 C27 C28 0.7(16) . . . . ?
C26 C27 C28 C23 -5.2(16) . . . . ?
C26 C27 C28 C29 176.5(11) . . . . ?
C27 N4 C32 C33 -172.1(11) . . . . ?
C27 C28 C29 C30 179.1(13) . . . . ?
C28 C23 C24 O2 177.2(9) . . . . ?
C28 C23 C24 C25 -1.2(14) . . . . ?
C28 C29 C30 C31 -4(2) . . . . ?
C29 C30 C31 N3 5(2) . . . . ?
C31 N3 C23 C24 176.1(10) . . . . ?
C31 N3 C23 C28 -3.0(15) . . . . ?
C32 N4 C27 C26 30.5(17) . . . . ?
C32 N4 C27 C28 -151.7(12) . . . . ?
C32 C33 C34 C35 178.1(14) . . . . ?
C32 C33 C38 C37 -179.5(12) . . . . ?
C33 C34 C35 C36 0(3) . . . . ?
C34 C33 C38 C37 1(2) . . . . ?
C34 C35 C36 C37 4(2) . . . . ?
C34 C35 C36 C39 -174.8(14) . . . . ?
C34 C35 C36 C39' 168.3(17) . . . . ?
C35 C36 C37 C38 -5(2) . . . . ?
C35 C36 C39 C40 -35.0(17) . . . . ?
C35 C36 C39 C44 156.0(12) . . . . ?
C35 C36 C39' C40' 42(3) . . . . ?
C35 C36 C39' C44' -137(2) . . . . ?
C36 C37 C38 C33 2.7(19) . . . . ?
C36 C39 C40 C41 -168.6(14) . . . . ?
C36 C39 C44 C43 169.5(13) . . . . ?
C36 C39' C40' C41' -176.9(16) . . . . ?
C36 C39' C44' C43' 177.8(18) . . . . ?
C37 C36 C39 C40 146.6(13) . . . . ?
C37 C36 C39 C44 -22(2) . . . . ?
C37 C36 C39' C40' -152.6(15) . . . . ?
C37 C36 C39' C44' 28(3) . . . . ?
C38 C33 C34 C35 -3(2) . . . . ?
C39 C36 C37 C38 173.2(13) . . . . ?
C39 C40 C41 C42 0.0 . . . . ?
C40 C39 C44 C43 0.0 . . . . ?
C40 C41 C42 C43 0.0 . . . . ?
C41 C42 C43 C44 0.0 . . . . ?
C42 C43 C44 C39 0.0 . . . . ?
C44 C39 C40 C41 0.0 . . . . ?
C39' C36 C37 C38 -172.8(13) . . . . ?
C39' C40' C41' C42' 0(3) . . . . ?
C40' C39' C44' C43' -2(3) . . . . ?
C40' C41' C42' C43' -3(3) . . . . ?
C41' C42' C43' C44' 4(3) . . . . ?
C42' C43' C44' C39' -2(3) . . . . ?
C44' C39' C40' C41' 3(3) . . . . ?
C49 N6 C54 C55 -173.4(10) . . . . ?
C49 C48 C47 C46 0.0 . . . . ?
C49 C50 C51 C52 -179.8(8) . . . . ?
C48 C49 C50 C45 0.0 . . . . ?
C48 C49 C50 C51 175.2(8) . . . . ?
C48 C47 C46 O3 -172.7(6) . . . . ?
C48 C47 C46 C45 0.0 . . . . ?
C47 C46 C45 N5 178.5(6) . . . . ?
C47 C46 C45 C50 0.0 . . . . ?
C46 C45 C50 C49 0.0 . . . . ?
C46 C45 C50 C51 -175.5(8) . . . . ?
C45 N5 C53 C52 -0.9(13) . . . . ?
C45 C50 C51 C52 -4.4(13) . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C50 C51 C52 C53 0.3(16) . . . . ?
C51 C52 C53 N5 2.5(15) . . . . ?
C53 N5 C45 C46 178.1(6) . . . . ?
C53 N5 C45 C50 -3.5(9) . . . . ?
C54 N6 C49 C48 31.4(14) . . . . ?
C54 N6 C49 C50 -156.1(10) . . . . ?
C54 C55 C56 C57 -174.9(13) . . . . ?
C54 C55 C60 C59 175.0(13) . . . . ?
C55 C56 C57 C58 4(2) . . . . ?
C56 C55 C60 C59 1(2) . . . . ?
C56 C57 C58 C59 -6(2) . . . . ?
C56 C57 C58 C61 177.7(12) . . . . ?
C57 C58 C59 C60 7(2) . . . . ?
C57 C58 C61 C62 39.7(15) . . . . ?
C57 C58 C61 C66 -142.4(12) . . . . ?
C58 C59 C60 C55 -4(3) . . . . ?
C58 C61 C62 C63 177.9(8) . . . . ?
C58 C61 C66 C65 -177.9(8) . . . . ?
C59 C58 C61 C62 -135.6(14) . . . . ?
C59 C58 C61 C66 42.4(17) . . . . ?
C60 C55 C56 C57 -1(2) . . . . ?
C61 C58 C59 C60 -177.4(14) . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C61 C66 C65 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C63 C64 C65 C66 0.0 . . . . ?
C64 C65 C66 C61 0.0 . . . . ?
C66 C61 C62 C63 0.0 . . . . ?
C67 C68 C69 C70 170.3(12) . . . . ?
C68 C69 C70 O5 -2.6(19) . . . . ?
C68 C69 C70 C71 -176.8(11) . . . . ?
C72 C73 C74 C75 -178.5(14) . . . . ?
C73 C74 C75 O7 0(2) . . . . ?
C73 C74 C75 C76 -179.9(14) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_m20170329c1
_database_code_depnum_ccdc_archive 'CCDC 1842956'
_audit_update_record             
;
2018-07-27 deposited with the CCDC.
2018-07-30 downloaded from the CCDC.
;
_audit_creation_date             2018-07-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C152 H122 Gd4 N12 O16, 2(C2 H3 N)'
_chemical_formula_sum            'C156 H128 Gd4 N14 O16'
_chemical_formula_weight         3083.72
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Gd Gd -0.1653 3.9035 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.845(4)
_cell_length_b                   21.607(7)
_cell_length_c                   18.168(4)
_cell_angle_alpha                90
_cell_angle_beta                 110.487(9)
_cell_angle_gamma                90
_cell_volume                     6563(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    13986
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_shelx_estimated_absorpt_T_max   0.761
_shelx_estimated_absorpt_T_min   0.682
_exptl_absorpt_coefficient_mu    2.068
_exptl_absorpt_correction_T_max  0.7605
_exptl_absorpt_correction_T_min  0.6825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    "'not measured'"
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3092
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ? 
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0466
_diffrn_reflns_av_unetI/netI     0.0277
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            70495
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.018
_diffrn_reflns_theta_max         25.018
_diffrn_reflns_theta_min         3.043
_diffrn_ambient_temperature      133.15
_diffrn_detector_area_resol_mean 5.814
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                9639
_reflns_number_total             11565
_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       'CrystalClear-SM Expert 2.1 b42'
_computing_data_collection       'CrystalClear-SM Expert 2.1 b42 (Rigaku, 2015)'
_computing_data_reduction        'CrystalClear-SM Expert 2.1 b42'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.828
_refine_diff_density_min         -0.601
_refine_diff_density_rms         0.099
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     903
_refine_ls_number_reflns         11565
_refine_ls_number_restraints     275
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0404
_refine_ls_restrained_S_all      1.052
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0589P)²+15.8019P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1082
_refine_ls_wR_factor_ref         0.1152
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 N7-C77
 1.12 with sigma of 0.01
 C77-C78
 1.54 with sigma of 0.01
 N7-C78
 2.66 with sigma of 0.02
 C14-C17 = C14-C17'
 1.5 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C21 \\sim C22 \\sim C17'
\\sim C18' \\sim C19' \\sim C20' \\sim C21' \\sim C21' \\sim C22': within 2A
with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C77) \\sim Ueq, Uanis(C78) \\sim Ueq, Uanis(N7) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
Uanis(C17) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C19) \\sim Ueq, Uanis(C20)
\\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C21) \\sim Ueq, Uanis(C22) \\sim Ueq,
Uanis(C17') \\sim Ueq, Uanis(C18') \\sim Ueq, Uanis(C19') \\sim Ueq,
Uanis(C20') \\sim Ueq, Uanis(C21') \\sim Ueq, Uanis(C21') \\sim Ueq,
Uanis(C22') \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: C17(0.5) C18(0.5) H18(0.5) C19(0.5) H19(0.5) C20(0.5) H20(0.5)
 C21(0.5) H21(0.5) C22(0.5) H22(0.5) C17'(0.5) C18'(0.5) H18'(0.5) C19'(0.5)
 H19'(0.5) C20'(0.5) H20'(0.5) C21'(0.5) H21'(0.5) C22'(0.5) H22'(0.5)
5.a Ternary CH refined with riding coordinates:
 O8(H8)
5.b Aromatic/amide H refined with riding coordinates:
 N4(H4), C3(H3), C4(H4A), C7(H7), C8(H8A), C9(H9), C10(H10), C12(H12),
 C13(H13), C15(H15), C16(H16), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22),
  C18'(H18'), C19'(H19'), C20'(H20'), C21'(H21'), C22'(H22'), C25(H25),
 C26(H26), C29(H29), C30(H30), C31(H31), C32(H32), C34(H34), C35(H35), C37(H37),
  C38(H38), C40(H40), C41(H41), C42(H42), C43(H43), C44(H44), C47(H47),
 C48(H48), C51(H51), C52(H52), C53(H53), C54(H54), C56(H56), C57(H57), C59(H59),
  C60(H60), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C69(H69), C74(H74)
5.c Fitted hexagon refined as free rotating group:
 C17'(C18',C19',C20',C21',C22')
5.d Idealised Me refined as rotating group:
 C67(H67A,H67B,H67C), C71(H71A,H71B,H71C), C72(H72A,H72B,H72C), C76(H76A,H76B,
 H76C), C78(H78A,H78B,H78C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Gd1 Gd 0.12443(2) 0.58626(2) 0.62842(2) 0.04200(9) Uani 1 1 d . . . . .
Gd2 Gd 0.05749(2) 0.52498(2) 0.43179(2) 0.03978(9) Uani 1 1 d . . . . .
O1 O 0.1487(2) 0.49736(17) 0.5598(2) 0.0473(9) Uani 1 1 d . . . . .
O2 O 0.1361(2) 0.61281(17) 0.5040(2) 0.0492(9) Uani 1 1 d . . . . .
O3 O -0.0593(2) 0.49632(16) 0.3255(2) 0.0462(8) Uani 1 1 d . . . . .
O4 O 0.0438(2) 0.67488(17) 0.6066(2) 0.0580(10) Uani 1 1 d . . . . .
O5 O 0.1394(3) 0.62535(18) 0.7514(2) 0.0612(11) Uani 1 1 d . . . . .
O6 O 0.0983(2) 0.55818(18) 0.3293(2) 0.0554(10) Uani 1 1 d . . . . .
O7 O 0.1188(2) 0.44189(18) 0.3946(2) 0.0556(10) Uani 1 1 d . . . . .
O8 O 0.0049(2) 0.55968(15) 0.52986(19) 0.0424(8) Uani 1 1 d . . . . .
H8 H -0.031822 0.595895 0.511669 0.051 Uiso 1 1 calc R . . . .
N1 N 0.2498(3) 0.5270(2) 0.7031(3) 0.0594(13) Uani 1 1 d . . . . .
N2 N 0.3480(3) 0.3149(3) 0.7429(4) 0.0777(17) Uani 1 1 d . . . . .
N3 N 0.2222(3) 0.6743(2) 0.6345(3) 0.0602(13) Uani 1 1 d . . . . .
N4 N 0.3553(4) 0.7906(3) 0.4844(4) 0.0857(19) Uani 1 1 d . . . . .
H4 H 0.376029 0.814123 0.526153 0.103 Uiso 1 1 calc R . . . .
N5 N -0.0325(2) 0.61620(18) 0.3683(2) 0.0425(10) Uani 1 1 d . . . . .
N6 N -0.2337(4) 0.6812(3) 0.1239(4) 0.0819(19) Uani 1 1 d . . . . .
C1 C 0.2495(3) 0.4658(3) 0.6761(4) 0.0575(15) Uani 1 1 d . . . . .
C2 C 0.1945(3) 0.4519(2) 0.6003(3) 0.0485(13) Uani 1 1 d . . . . .
C3 C 0.1926(3) 0.3925(3) 0.5713(4) 0.0543(14) Uani 1 1 d . . . . .
H3 H 0.158366 0.382743 0.519501 0.065 Uiso 1 1 calc R . . . .
C4 C 0.2420(4) 0.3466(3) 0.6194(4) 0.0622(16) Uani 1 1 d . . . . .
H4A H 0.238285 0.305572 0.599723 0.075 Uiso 1 1 calc R . . . .
C5 C 0.2949(4) 0.3586(3) 0.6931(4) 0.0664(17) Uani 1 1 d . . . . .
C6 C 0.3019(4) 0.4200(3) 0.7212(4) 0.0648(17) Uani 1 1 d . . . . .
C7 C 0.3596(4) 0.4396(3) 0.7930(4) 0.078(2) Uani 1 1 d . . . . .
H7 H 0.397411 0.411024 0.825073 0.094 Uiso 1 1 calc R . . . .
C8 C 0.3607(5) 0.4985(4) 0.8155(5) 0.092(3) Uani 1 1 d . . . . .
H8A H 0.400533 0.512054 0.862768 0.111 Uiso 1 1 calc R . . . .
C9 C 0.3035(4) 0.5403(3) 0.7700(4) 0.079(2) Uani 1 1 d . . . . .
H9 H 0.304353 0.581201 0.789484 0.094 Uiso 1 1 calc R . . . .
C10 C 0.3260(5) 0.2579(3) 0.7398(5) 0.078(2) Uani 1 1 d . . . . .
H10 H 0.272575 0.246860 0.709258 0.094 Uiso 1 1 calc R . . . .
C11 C 0.3821(5) 0.2098(3) 0.7829(5) 0.083(2) Uani 1 1 d . . . . .
C12 C 0.3566(5) 0.1489(3) 0.7806(5) 0.080(2) Uani 1 1 d . . . . .
H12 H 0.302251 0.139037 0.752223 0.096 Uiso 1 1 calc R . . . .
C13 C 0.4096(6) 0.1017(3) 0.8195(5) 0.086(2) Uani 1 1 d . . . . .
H13 H 0.390555 0.060454 0.817498 0.104 Uiso 1 1 calc R . . . .
C14 C 0.4918(6) 0.1150(3) 0.8620(5) 0.095(3) Uani 1 1 d D . . . .
C15 C 0.5134(6) 0.1764(4) 0.8640(6) 0.111(3) Uani 1 1 d . . . . .
H15 H 0.567158 0.187266 0.893618 0.133 Uiso 1 1 calc R . . . .
C16 C 0.4616(5) 0.2230(4) 0.8256(6) 0.103(3) Uani 1 1 d . . . . .
H16 H 0.480463 0.264403 0.828343 0.124 Uiso 1 1 calc R . . . .
C17 C 0.5335(8) 0.0613(5) 0.9073(8) 0.060(2) Uani 0.5 1 d D U P A 1
C18 C 0.5068(8) 0.0154(5) 0.9393(7) 0.059(2) Uani 0.5 1 d . U P A 1
H18 H 0.451632 0.013365 0.932494 0.071 Uiso 0.5 1 calc R . P A 1
C19 C 0.5585(8) -0.0295(6) 0.9824(8) 0.068(3) Uani 0.5 1 d . U P A 1
H19 H 0.538275 -0.062835 1.004044 0.081 Uiso 0.5 1 calc R . P A 1
C20 C 0.6379(9) -0.0267(7) 0.9943(9) 0.072(3) Uani 0.5 1 d . U P A 1
H20 H 0.673603 -0.056652 1.026084 0.087 Uiso 0.5 1 calc R . P A 1
C21 C 0.6669(9) 0.0223(6) 0.9582(9) 0.070(2) Uani 0.5 1 d . U P A 1
H21 H 0.722130 0.024745 0.965077 0.083 Uiso 0.5 1 calc R . P A 1
C22 C 0.6149(8) 0.0651(6) 0.9143(8) 0.064(2) Uani 0.5 1 d . U P A 1
H22 H 0.632765 0.097137 0.888644 0.077 Uiso 0.5 1 calc R . P A 1
C17' C 0.5662(5) 0.0735(4) 0.9043(6) 0.069(3) Uani 0.5 1 d D U P A 2
C18' C 0.5586(5) 0.0123(4) 0.8792(5) 0.071(2) Uani 0.5 1 d G U P A 2
H18' H 0.515008 0.000374 0.833799 0.085 Uiso 0.5 1 calc R . P A 2
C19' C 0.6148(6) -0.0314(3) 0.9204(5) 0.074(2) Uani 0.5 1 d G U P A 2
H19' H 0.609592 -0.073190 0.903194 0.089 Uiso 0.5 1 calc R . P A 2
C20' C 0.6786(5) -0.0139(4) 0.9868(5) 0.074(3) Uani 0.5 1 d G U P A 2
H20' H 0.716987 -0.043738 1.014925 0.088 Uiso 0.5 1 calc R . P A 2
C21' C 0.6862(5) 0.0473(4) 1.0119(5) 0.080(3) Uani 0.5 1 d G U P A 2
H21' H 0.729801 0.059280 1.057261 0.096 Uiso 0.5 1 calc R . P A 2
C22' C 0.6300(6) 0.0910(3) 0.9707(6) 0.081(3) Uani 0.5 1 d G U P A 2
H22' H 0.635217 0.132845 0.987867 0.097 Uiso 0.5 1 calc R . P A 2
C23 C 0.2312(4) 0.6906(3) 0.5621(4) 0.0568(14) Uani 1 1 d . . . . .
C24 C 0.1846(4) 0.6559(3) 0.4952(3) 0.0578(15) Uani 1 1 d . . . . .
C25 C 0.1923(5) 0.6702(3) 0.4236(4) 0.078(2) Uani 1 1 d . . . . .
H25 H 0.159012 0.650254 0.377015 0.093 Uiso 1 1 calc R . . . .
C26 C 0.2483(5) 0.7136(4) 0.4196(5) 0.090(3) Uani 1 1 d . . . . .
H26 H 0.253942 0.721009 0.370247 0.108 Uiso 1 1 calc R . . . .
C27 C 0.2959(5) 0.7462(4) 0.4840(4) 0.077(2) Uani 1 1 d . . . . .
C28 C 0.2845(4) 0.7360(3) 0.5569(4) 0.0665(17) Uani 1 1 d . . . . .
C29 C 0.3245(5) 0.7706(3) 0.6268(4) 0.076(2) Uani 1 1 d . . . . .
H29 H 0.361271 0.802355 0.626688 0.091 Uiso 1 1 calc R . . . .
C30 C 0.3091(4) 0.7574(3) 0.6931(4) 0.0694(18) Uani 1 1 d . . . . .
H30 H 0.332173 0.781994 0.738873 0.083 Uiso 1 1 calc R . . . .
C31 C 0.2599(4) 0.7082(3) 0.6942(4) 0.0695(18) Uani 1 1 d . . . . .
H31 H 0.253429 0.698750 0.742699 0.083 Uiso 1 1 calc R . . . .
C32 C 0.3793(4) 0.7976(3) 0.4275(4) 0.0685(17) Uani 1 1 d . . . . .
H32 H 0.355372 0.773316 0.381672 0.082 Uiso 1 1 calc R . . . .
C33 C 0.4404(4) 0.8402(3) 0.4285(4) 0.0664(17) Uani 1 1 d . . . . .
C34 C 0.4869(5) 0.8703(4) 0.4952(5) 0.092(3) Uani 1 1 d . . . . .
H34 H 0.478701 0.862831 0.543339 0.111 Uiso 1 1 calc R . . . .
C35 C 0.5463(5) 0.9119(4) 0.4935(5) 0.092(3) Uani 1 1 d . . . . .
H35 H 0.577438 0.932119 0.540808 0.110 Uiso 1 1 calc R . . . .
C36 C 0.5610(4) 0.9244(3) 0.4269(4) 0.0654(17) Uani 1 1 d . . . . .
C37 C 0.5160(5) 0.8948(4) 0.3596(5) 0.081(2) Uani 1 1 d . . . . .
H37 H 0.524939 0.902783 0.311924 0.097 Uiso 1 1 calc R . . . .
C38 C 0.4568(5) 0.8528(4) 0.3604(4) 0.077(2) Uani 1 1 d . . . . .
H38 H 0.426733 0.832147 0.313082 0.093 Uiso 1 1 calc R . . . .
C39 C 0.6262(5) 0.9683(3) 0.4293(4) 0.0755(19) Uani 1 1 d . . . . .
C40 C 0.6780(6) 0.9555(4) 0.3890(6) 0.097(3) Uani 1 1 d . . . . .
H40 H 0.670360 0.919340 0.357502 0.117 Uiso 1 1 calc R . . . .
C41 C 0.7397(6) 0.9948(5) 0.3945(7) 0.114(3) Uani 1 1 d . . . . .
H41 H 0.774716 0.985318 0.366891 0.137 Uiso 1 1 calc R . . . .
C42 C 0.7523(7) 1.0478(5) 0.4391(7) 0.112(3) Uani 1 1 d . . . . .
H42 H 0.795569 1.074612 0.442283 0.135 Uiso 1 1 calc R . . . .
C43 C 0.7038(7) 1.0611(4) 0.4773(6) 0.107(3) Uani 1 1 d . . . . .
H43 H 0.711525 1.097507 0.508281 0.129 Uiso 1 1 calc R . . . .
C44 C 0.6400(6) 1.0201(4) 0.4714(5) 0.097(3) Uani 1 1 d . . . . .
H44 H 0.605287 1.030202 0.499100 0.116 Uiso 1 1 calc R . . . .
C45 C -0.0855(3) 0.6038(3) 0.2953(3) 0.0490(13) Uani 1 1 d . . . . .
C46 C -0.0966(3) 0.5392(3) 0.2720(3) 0.0525(14) Uani 1 1 d . . . . .
C47 C -0.1468(4) 0.5262(3) 0.1979(4) 0.0702(19) Uani 1 1 d . . . . .
H47 H -0.152260 0.484621 0.179852 0.084 Uiso 1 1 calc R . . . .
C48 C -0.1905(5) 0.5728(3) 0.1477(4) 0.075(2) Uani 1 1 d . . . . .
H48 H -0.225668 0.561607 0.096788 0.090 Uiso 1 1 calc R . . . .
C49 C -0.1848(4) 0.6333(3) 0.1687(4) 0.0705(19) Uani 1 1 d . . . . .
C50 C -0.1314(4) 0.6499(3) 0.2448(4) 0.0603(16) Uani 1 1 d . . . . .
C51 C -0.1210(4) 0.7100(3) 0.2743(4) 0.0629(16) Uani 1 1 d . . . . .
H51 H -0.150406 0.742866 0.242350 0.076 Uiso 1 1 calc R . . . .
C52 C -0.0703(4) 0.7223(3) 0.3467(4) 0.0622(16) Uani 1 1 d . . . . .
H52 H -0.065126 0.763254 0.366887 0.075 Uiso 1 1 calc R . . . .
C53 C -0.0250(3) 0.6742(2) 0.3925(4) 0.0524(13) Uani 1 1 d . . . . .
H53 H 0.012584 0.683649 0.443046 0.063 Uiso 1 1 calc R . . . .
C54 C -0.2627(5) 0.6792(4) 0.0511(5) 0.086(2) Uani 1 1 d . . . . .
H54 H -0.245835 0.647652 0.024065 0.103 Uiso 1 1 calc R . . . .
C55 C -0.3232(5) 0.7250(4) 0.0053(4) 0.087(2) Uani 1 1 d . . . . .
C56 C -0.3551(5) 0.7202(4) -0.0740(5) 0.092(2) Uani 1 1 d . . . . .
H56 H -0.335374 0.689601 -0.100123 0.110 Uiso 1 1 calc R . . . .
C57 C -0.4174(5) 0.7600(4) -0.1184(5) 0.095(3) Uani 1 1 d . . . . .
H57 H -0.438271 0.755940 -0.173936 0.114 Uiso 1 1 calc R . . . .
C58 C -0.4477(5) 0.8036(4) -0.0839(4) 0.080(2) Uani 1 1 d . . . . .
C59 C -0.4113(7) 0.8087(4) -0.0059(5) 0.113(3) Uani 1 1 d . . . . .
H59 H -0.428195 0.840783 0.020467 0.136 Uiso 1 1 calc R . . . .
C60 C -0.3509(6) 0.7700(5) 0.0382(5) 0.112(3) Uani 1 1 d . . . . .
H60 H -0.328661 0.775713 0.093446 0.134 Uiso 1 1 calc R . . . .
C61 C -0.5148(5) 0.8445(4) -0.1330(4) 0.077(2) Uani 1 1 d . . . . .
C62 C -0.5165(5) 0.8667(4) -0.2026(5) 0.091(2) Uani 1 1 d . . . . .
H62 H -0.475295 0.854733 -0.221537 0.109 Uiso 1 1 calc R . . . .
C63 C -0.5761(6) 0.9067(4) -0.2484(5) 0.095(3) Uani 1 1 d . . . . .
H63 H -0.575961 0.922522 -0.297110 0.114 Uiso 1 1 calc R . . . .
C64 C -0.6357(6) 0.9222(4) -0.2186(6) 0.106(3) Uani 1 1 d . . . . .
H64 H -0.677717 0.948986 -0.248080 0.127 Uiso 1 1 calc R . . . .
C65 C -0.6355(7) 0.9004(6) -0.1494(8) 0.137(4) Uani 1 1 d . . . . .
H65 H -0.677328 0.910534 -0.130496 0.164 Uiso 1 1 calc R . . . .
C66 C -0.5730(7) 0.8628(5) -0.1063(7) 0.117(3) Uani 1 1 d . . . . .
H66 H -0.570896 0.849297 -0.055860 0.140 Uiso 1 1 calc R . . . .
C67 C -0.0258(7) 0.7670(4) 0.6087(6) 0.117(4) Uani 1 1 d . . . . .
H67A H -0.006608 0.785078 0.569102 0.175 Uiso 1 1 calc GR . . . .
H67B H -0.026525 0.798890 0.646830 0.175 Uiso 1 1 calc GR . . . .
H67C H -0.079997 0.750765 0.583036 0.175 Uiso 1 1 calc GR . . . .
C68 C 0.0293(4) 0.7151(3) 0.6506(4) 0.0674(17) Uani 1 1 d . . . . .
C69 C 0.0571(5) 0.7126(3) 0.7323(5) 0.077(2) Uani 1 1 d . . . . .
H69 H 0.041588 0.745083 0.759039 0.093 Uiso 1 1 calc R . . . .
C70 C 0.1055(4) 0.6669(3) 0.7776(4) 0.0682(17) Uani 1 1 d . . . . .
C71 C 0.1204(7) 0.6647(5) 0.8641(5) 0.114(3) Uani 1 1 d . . . . .
H71A H 0.094697 0.627879 0.876102 0.171 Uiso 1 1 calc GR . . . .
H71B H 0.098052 0.701873 0.879509 0.171 Uiso 1 1 calc GR . . . .
H71C H 0.178079 0.662933 0.893157 0.171 Uiso 1 1 calc GR . . . .
C72 C 0.1235(9) 0.5765(5) 0.2141(6) 0.139(5) Uani 1 1 d . . . . .
H72A H 0.068681 0.587341 0.181211 0.208 Uiso 1 1 calc GR . . . .
H72B H 0.149976 0.555576 0.182018 0.208 Uiso 1 1 calc GR . . . .
H72C H 0.153081 0.614300 0.236686 0.208 Uiso 1 1 calc GR . . . .
C73 C 0.1218(5) 0.5339(4) 0.2797(5) 0.082(2) Uani 1 1 d . . . . .
C74 C 0.1406(8) 0.4710(4) 0.2797(7) 0.128(4) Uani 1 1 d . . . . .
H74 H 0.154675 0.455919 0.237111 0.153 Uiso 1 1 calc R . . . .
C75 C 0.1401(5) 0.4288(3) 0.3381(5) 0.080(2) Uani 1 1 d . . . . .
C76 C 0.1635(7) 0.3628(4) 0.3313(7) 0.117(4) Uani 1 1 d . . . . .
H76A H 0.210826 0.352228 0.376872 0.175 Uiso 1 1 calc GR . . . .
H76B H 0.175766 0.357727 0.283116 0.175 Uiso 1 1 calc GR . . . .
H76C H 0.119224 0.335308 0.329567 0.175 Uiso 1 1 calc GR . . . .
N7 N 0.8396(11) 0.8563(9) 0.3906(12) 0.249(8) Uani 1 1 d D U . . .
C77 C 0.8735(17) 0.8874(14) 0.4414(17) 0.311(16) Uani 1 1 d D U . . .
C78 C 0.9437(16) 0.9214(11) 0.5031(15) 0.330(14) Uani 1 1 d D U . . .
H78A H 0.991546 0.918324 0.488579 0.495 Uiso 1 1 calc GR . . . .
H78B H 0.954421 0.902490 0.554792 0.495 Uiso 1 1 calc GR . . . .
H78C H 0.929741 0.965114 0.505124 0.495 Uiso 1 1 calc GR . . . .


_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 3.8765(8) 3_566 ?
Gd1 Gd2 3.5993(8) . ?
Gd1 O1 2.410(4) . ?
Gd1 O2 2.411(4) . ?
Gd1 O3 2.433(4) 3_566 ?
Gd1 O4 2.344(4) . ?
Gd1 O5 2.314(4) . ?
Gd1 O8 2.326(3) . ?
Gd1 N1 2.521(5) . ?
Gd1 N3 2.558(5) . ?
Gd2 Gd2 3.8830(8) 3_566 ?
Gd2 O1 2.400(4) . ?
Gd2 O2 2.450(4) . ?
Gd2 O3 2.374(3) . ?
Gd2 O6 2.337(4) . ?
Gd2 O7 2.323(4) . ?
Gd2 O8 2.370(3) 3_566 ?
Gd2 O8 2.406(4) . ?
Gd2 N5 2.549(4) . ?
O1 C2 1.324(6) . ?
O2 C24 1.318(7) . ?
O3 C46 1.340(6) . ?
O4 C68 1.268(8) . ?
O5 C70 1.264(8) . ?
O6 C73 1.236(8) . ?
O7 C75 1.246(8) . ?
O8 H8 1.0000 . ?
N1 C1 1.410(8) . ?
N1 C9 1.290(8) . ?
N2 C5 1.418(8) . ?
N2 C10 1.288(9) . ?
N3 C23 1.423(8) . ?
N3 C31 1.287(8) . ?
N4 H4 0.8800 . ?
N4 C27 1.429(8) . ?
N4 C32 1.258(9) . ?
N5 C45 1.359(7) . ?
N5 C53 1.320(7) . ?
N6 C49 1.415(8) . ?
N6 C54 1.241(9) . ?
C1 C2 1.415(8) . ?
C1 C6 1.411(8) . ?
C2 C3 1.384(8) . ?
C3 H3 0.9500 . ?
C3 C4 1.407(8) . ?
C4 H4A 0.9500 . ?
C4 C5 1.366(9) . ?
C5 C6 1.411(9) . ?
C6 C7 1.414(9) . ?
C7 H7 0.9500 . ?
C7 C8 1.334(11) . ?
C8 H8A 0.9500 . ?
C8 C9 1.396(10) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C10 C11 1.465(10) . ?
C11 C12 1.388(10) . ?
C11 C16 1.388(11) . ?
C12 H12 0.9500 . ?
C12 C13 1.402(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.427(12) . ?
C14 C15 1.380(12) . ?
C14 C17 1.466(9) . ?
C14 C17' 1.563(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.381(10) . ?
C16 H16 0.9500 . ?
C17 C18 1.319(17) . ?
C17 C22 1.415(18) . ?
C18 H18 0.9500 . ?
C18 C19 1.379(17) . ?
C19 H19 0.9500 . ?
C19 C20 1.36(2) . ?
C20 H20 0.9500 . ?
C20 C21 1.43(2) . ?
C21 H21 0.9500 . ?
C21 C22 1.354(19) . ?
C22 H22 0.9500 . ?
C17' C18' 1.3900 . ?
C17' C22' 1.3900 . ?
C18' H18' 0.9500 . ?
C18' C19' 1.3900 . ?
C19' H19' 0.9500 . ?
C19' C20' 1.3900 . ?
C20' H20' 0.9500 . ?
C20' C21' 1.3900 . ?
C21' H21' 0.9500 . ?
C21' C22' 1.3900 . ?
C22' H22' 0.9500 . ?
C23 C24 1.423(8) . ?
C23 C28 1.392(9) . ?
C24 C25 1.391(9) . ?
C25 H25 0.9500 . ?
C25 C26 1.390(9) . ?
C26 H26 0.9500 . ?
C26 C27 1.376(10) . ?
C27 C28 1.426(10) . ?
C28 C29 1.430(9) . ?
C29 H29 0.9500 . ?
C29 C30 1.357(10) . ?
C30 H30 0.9500 . ?
C30 C31 1.384(9) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C32 C33 1.422(9) . ?
C33 C34 1.370(10) . ?
C33 C38 1.394(10) . ?
C34 H34 0.9500 . ?
C34 C35 1.398(10) . ?
C35 H35 0.9500 . ?
C35 C36 1.352(10) . ?
C36 C37 1.364(10) . ?
C36 C39 1.492(10) . ?
C37 H37 0.9500 . ?
C37 C38 1.397(10) . ?
C38 H38 0.9500 . ?
C39 C40 1.393(12) . ?
C39 C44 1.329(11) . ?
C40 H40 0.9500 . ?
C40 C41 1.366(12) . ?
C41 H41 0.9500 . ?
C41 C42 1.375(14) . ?
C42 H42 0.9500 . ?
C42 C43 1.316(13) . ?
C43 H43 0.9500 . ?
C43 C44 1.416(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.450(8) . ?
C45 C50 1.407(8) . ?
C46 C47 1.361(8) . ?
C47 H47 0.9500 . ?
C47 C48 1.398(9) . ?
C48 H48 0.9500 . ?
C48 C49 1.355(9) . ?
C49 C50 1.424(9) . ?
C50 C51 1.392(9) . ?
C51 H51 0.9500 . ?
C51 C52 1.337(9) . ?
C52 H52 0.9500 . ?
C52 C53 1.398(8) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C54 C55 1.485(11) . ?
C55 C56 1.354(11) . ?
C55 C60 1.325(13) . ?
C56 H56 0.9500 . ?
C56 C57 1.414(11) . ?
C57 H57 0.9500 . ?
C57 C58 1.345(12) . ?
C58 C59 1.340(11) . ?
C58 C61 1.504(11) . ?
C59 H59 0.9500 . ?
C59 C60 1.378(12) . ?
C60 H60 0.9500 . ?
C61 C62 1.344(11) . ?
C61 C66 1.351(13) . ?
C62 H62 0.9500 . ?
C62 C63 1.397(11) . ?
C63 H63 0.9500 . ?
C63 C64 1.393(14) . ?
C64 H64 0.9500 . ?
C64 C65 1.341(15) . ?
C65 H65 0.9500 . ?
C65 C66 1.379(14) . ?
C66 H66 0.9500 . ?
C67 H67A 0.9800 . ?
C67 H67B 0.9800 . ?
C67 H67C 0.9800 . ?
C67 C68 1.510(10) . ?
C68 C69 1.390(10) . ?
C69 H69 0.9500 . ?
C69 C70 1.378(10) . ?
C70 C71 1.500(11) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C72 C73 1.516(11) . ?
C73 C74 1.399(11) . ?
C74 H74 0.9500 . ?
C74 C75 1.402(12) . ?
C75 C76 1.503(10) . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
N7 C77 1.130(9) . ?
C77 C78 1.545(10) . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Gd2 Gd1 Gd2 62.456(11) . 3_566 ?
O1 Gd1 Gd2 41.46(8) . . ?
O1 Gd1 Gd2 69.14(9) . 3_566 ?
O1 Gd1 O2 67.33(13) . . ?
O1 Gd1 O3 77.71(13) . 3_566 ?
O1 Gd1 N1 65.65(14) . . ?
O1 Gd1 N3 111.85(15) . . ?
O2 Gd1 Gd2 42.64(8) . . ?
O2 Gd1 Gd2 102.79(8) . 3_566 ?
O2 Gd1 O3 134.88(12) . 3_566 ?
O2 Gd1 N1 105.89(15) . . ?
O2 Gd1 N3 65.29(14) . . ?
O3 Gd1 Gd2 92.24(8) 3_566 . ?
O3 Gd1 Gd2 35.74(8) 3_566 3_566 ?
O3 Gd1 N1 83.30(14) 3_566 . ?
O3 Gd1 N3 158.73(14) 3_566 . ?
O4 Gd1 Gd2 93.14(10) . 3_566 ?
O4 Gd1 Gd2 99.30(10) . . ?
O4 Gd1 O1 140.72(13) . . ?
O4 Gd1 O2 84.04(14) . . ?
O4 Gd1 O3 108.57(14) . 3_566 ?
O4 Gd1 N1 151.92(15) . . ?
O4 Gd1 N3 76.62(16) . . ?
O5 Gd1 Gd2 107.51(11) . 3_566 ?
O5 Gd1 Gd2 168.02(11) . . ?
O5 Gd1 O1 144.02(13) . . ?
O5 Gd1 O2 143.09(14) . . ?
O5 Gd1 O3 80.98(14) . 3_566 ?
O5 Gd1 O4 73.85(15) . . ?
O5 Gd1 O8 126.72(14) . . ?
O5 Gd1 N1 83.42(16) . . ?
O5 Gd1 N3 80.82(16) . . ?
O8 Gd1 Gd2 34.72(8) . 3_566 ?
O8 Gd1 Gd2 41.30(9) . . ?
O8 Gd1 O1 71.76(12) . . ?
O8 Gd1 O2 72.15(12) . . ?
O8 Gd1 O3 70.36(12) . 3_566 ?
O8 Gd1 O4 74.23(13) . . ?
O8 Gd1 N1 133.66(14) . . ?
O8 Gd1 N3 130.12(14) . . ?
N1 Gd1 Gd2 109.55(11) . 3_566 ?
N1 Gd1 Gd2 105.71(12) . . ?
N1 Gd1 N3 83.77(16) . . ?
N3 Gd1 Gd2 107.51(12) . . ?
N3 Gd1 Gd2 164.71(12) . 3_566 ?
Gd1 Gd2 Gd1 117.543(11) . 3_566 ?
Gd1 Gd2 Gd2 62.271(16) . 3_566 ?
Gd1 Gd2 Gd2 55.272(14) 3_566 3_566 ?
O1 Gd2 Gd1 109.63(9) . 3_566 ?
O1 Gd2 Gd1 41.67(9) . . ?
O1 Gd2 Gd2 69.08(9) . 3_566 ?
O1 Gd2 O2 66.86(12) . . ?
O1 Gd2 O8 70.59(12) . . ?
O1 Gd2 N5 137.45(13) . . ?
O2 Gd2 Gd1 153.81(9) . 3_566 ?
O2 Gd2 Gd1 41.81(9) . . ?
O2 Gd2 Gd2 101.82(9) . 3_566 ?
O2 Gd2 N5 78.18(13) . . ?
O3 Gd2 Gd1 36.76(8) . 3_566 ?
O3 Gd2 Gd1 142.65(9) . . ?
O3 Gd2 Gd2 86.39(9) . 3_566 ?
O3 Gd2 O1 145.82(12) . . ?
O3 Gd2 O2 144.33(12) . . ?
O3 Gd2 O8 102.99(12) . . ?
O3 Gd2 N5 66.36(12) . . ?
O6 Gd2 Gd1 115.43(10) . 3_566 ?
O6 Gd2 Gd1 126.16(10) . . ?
O6 Gd2 Gd2 167.32(10) . 3_566 ?
O6 Gd2 O1 123.60(13) . . ?
O6 Gd2 O2 84.78(13) . . ?
O6 Gd2 O3 82.07(13) . . ?
O6 Gd2 O8 143.66(13) . . ?
O6 Gd2 O8 141.35(13) . 3_566 ?
O6 Gd2 N5 74.03(14) . . ?
O7 Gd2 Gd1 82.65(10) . 3_566 ?
O7 Gd2 Gd1 123.15(10) . . ?
O7 Gd2 Gd2 112.28(10) . 3_566 ?
O7 Gd2 O1 82.03(13) . . ?
O7 Gd2 O2 120.99(14) . . ?
O7 Gd2 O3 86.02(13) . . ?
O7 Gd2 O6 72.25(14) . . ?
O7 Gd2 O8 78.87(14) . 3_566 ?
O7 Gd2 O8 143.34(13) . . ?
O7 Gd2 N5 138.77(14) . . ?
O8 Gd2 Gd1 91.09(8) 3_566 . ?
O8 Gd2 Gd1 39.66(8) . . ?
O8 Gd2 Gd1 34.00(8) 3_566 3_566 ?
O8 Gd2 Gd1 84.10(8) . 3_566 ?
O8 Gd2 Gd2 35.29(8) . 3_566 ?
O8 Gd2 Gd2 35.90(9) 3_566 3_566 ?
O8 Gd2 O1 75.65(12) 3_566 . ?
O8 Gd2 O2 70.15(12) . . ?
O8 Gd2 O2 132.88(12) 3_566 . ?
O8 Gd2 O3 70.65(12) 3_566 . ?
O8 Gd2 O8 71.19(13) 3_566 . ?
O8 Gd2 N5 116.32(13) 3_566 . ?
O8 Gd2 N5 75.35(13) . . ?
N5 Gd2 Gd1 95.88(10) . . ?
N5 Gd2 Gd1 91.09(9) . 3_566 ?
N5 Gd2 Gd2 96.54(10) . 3_566 ?
Gd2 O1 Gd1 96.87(13) . . ?
C2 O1 Gd1 119.4(3) . . ?
C2 O1 Gd2 143.2(3) . . ?
Gd1 O2 Gd2 95.55(12) . . ?
C24 O2 Gd1 123.9(3) . . ?
C24 O2 Gd2 139.4(4) . . ?
Gd2 O3 Gd1 107.49(13) . 3_566 ?
C46 O3 Gd1 125.5(3) . 3_566 ?
C46 O3 Gd2 118.8(3) . . ?
C68 O4 Gd1 134.6(4) . . ?
C70 O5 Gd1 135.5(4) . . ?
C73 O6 Gd2 136.9(5) . . ?
C75 O7 Gd2 136.6(5) . . ?
Gd1 O8 Gd2 99.04(13) . . ?
Gd1 O8 Gd2 111.28(13) . 3_566 ?
Gd1 O8 H8 112.3 . . ?
Gd2 O8 Gd2 108.81(13) 3_566 . ?
Gd2 O8 H8 112.3 . . ?
Gd2 O8 H8 112.3 3_566 . ?
C1 N1 Gd1 113.2(3) . . ?
C9 N1 Gd1 128.4(5) . . ?
C9 N1 C1 116.6(5) . . ?
C10 N2 C5 119.0(6) . . ?
C23 N3 Gd1 116.1(4) . . ?
C31 N3 Gd1 127.4(5) . . ?
C31 N3 C23 116.3(6) . . ?
C27 N4 H4 118.6 . . ?
C32 N4 H4 118.6 . . ?
C32 N4 C27 122.8(6) . . ?
C45 N5 Gd2 113.7(3) . . ?
C53 N5 Gd2 127.5(4) . . ?
C53 N5 C45 117.9(5) . . ?
C54 N6 C49 122.0(7) . . ?
N1 C1 C2 117.0(5) . . ?
N1 C1 C6 122.4(5) . . ?
C6 C1 C2 120.6(6) . . ?
O1 C2 C1 117.8(5) . . ?
O1 C2 C3 123.3(5) . . ?
C3 C2 C1 118.9(5) . . ?
C2 C3 H3 120.3 . . ?
C2 C3 C4 119.4(6) . . ?
C4 C3 H3 120.3 . . ?
C3 C4 H4A 118.6 . . ?
C5 C4 C3 122.8(6) . . ?
C5 C4 H4A 118.6 . . ?
C4 C5 N2 125.3(6) . . ?
C4 C5 C6 118.5(6) . . ?
C6 C5 N2 116.1(6) . . ?
C1 C6 C7 116.5(6) . . ?
C5 C6 C1 119.5(6) . . ?
C5 C6 C7 124.1(6) . . ?
C6 C7 H7 120.1 . . ?
C8 C7 C6 119.8(6) . . ?
C8 C7 H7 120.1 . . ?
C7 C8 H8A 119.8 . . ?
C7 C8 C9 120.4(7) . . ?
C9 C8 H8A 119.8 . . ?
N1 C9 C8 124.2(7) . . ?
N1 C9 H9 117.9 . . ?
C8 C9 H9 117.9 . . ?
N2 C10 H10 119.5 . . ?
N2 C10 C11 120.9(7) . . ?
C11 C10 H10 119.5 . . ?
C12 C11 C10 120.1(7) . . ?
C12 C11 C16 118.2(7) . . ?
C16 C11 C10 121.8(7) . . ?
C11 C12 H12 119.4 . . ?
C11 C12 C13 121.2(8) . . ?
C13 C12 H12 119.4 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.7(7) . . ?
C14 C13 H13 119.6 . . ?
C13 C14 C17 111.7(9) . . ?
C13 C14 C17' 133.4(7) . . ?
C15 C14 C13 115.7(6) . . ?
C15 C14 C17 131.6(9) . . ?
C15 C14 C17' 110.9(8) . . ?
C14 C15 H15 118.1 . . ?
C14 C15 C16 123.8(9) . . ?
C16 C15 H15 118.1 . . ?
C11 C16 H16 119.8 . . ?
C15 C16 C11 120.3(8) . . ?
C15 C16 H16 119.8 . . ?
C18 C17 C14 130.6(12) . . ?
C18 C17 C22 121.5(11) . . ?
C22 C17 C14 108.0(11) . . ?
C17 C18 H18 119.8 . . ?
C17 C18 C19 120.4(13) . . ?
C19 C18 H18 119.8 . . ?
C18 C19 H19 119.6 . . ?
C20 C19 C18 120.8(13) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 120.5 . . ?
C19 C20 C21 119.0(13) . . ?
C21 C20 H20 120.5 . . ?
C20 C21 H21 120.3 . . ?
C22 C21 C20 119.3(14) . . ?
C22 C21 H21 120.3 . . ?
C17 C22 H22 120.5 . . ?
C21 C22 C17 118.9(13) . . ?
C21 C22 H22 120.5 . . ?
C18' C17' C14 114.5(6) . . ?
C18' C17' C22' 120.0 . . ?
C22' C17' C14 124.6(6) . . ?
C17' C18' H18' 120.0 . . ?
C19' C18' C17' 120.0 . . ?
C19' C18' H18' 120.0 . . ?
C18' C19' H19' 120.0 . . ?
C20' C19' C18' 120.0 . . ?
C20' C19' H19' 120.0 . . ?
C19' C20' H20' 120.0 . . ?
C21' C20' C19' 120.0 . . ?
C21' C20' H20' 120.0 . . ?
C20' C21' H21' 120.0 . . ?
C20' C21' C22' 120.0 . . ?
C22' C21' H21' 120.0 . . ?
C17' C22' H22' 120.0 . . ?
C21' C22' C17' 120.0 . . ?
C21' C22' H22' 120.0 . . ?
N3 C23 C24 115.9(5) . . ?
C28 C23 N3 122.5(5) . . ?
C28 C23 C24 121.5(6) . . ?
O2 C24 C23 118.8(5) . . ?
O2 C24 C25 123.7(5) . . ?
C25 C24 C23 117.5(5) . . ?
C24 C25 H25 119.8 . . ?
C26 C25 C24 120.5(6) . . ?
C26 C25 H25 119.8 . . ?
C25 C26 H26 118.6 . . ?
C27 C26 C25 122.8(7) . . ?
C27 C26 H26 118.6 . . ?
C26 C27 N4 125.7(7) . . ?
C26 C27 C28 117.7(6) . . ?
C28 C27 N4 116.6(6) . . ?
C23 C28 C27 119.7(6) . . ?
C23 C28 C29 116.7(6) . . ?
C27 C28 C29 123.6(6) . . ?
C28 C29 H29 120.5 . . ?
C30 C29 C28 119.0(6) . . ?
C30 C29 H29 120.5 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.0(6) . . ?
C31 C30 H30 120.0 . . ?
N3 C31 C30 124.9(7) . . ?
N3 C31 H31 117.5 . . ?
C30 C31 H31 117.5 . . ?
N4 C32 H32 118.4 . . ?
N4 C32 C33 123.2(7) . . ?
C33 C32 H32 118.4 . . ?
C34 C33 C32 122.9(7) . . ?
C34 C33 C38 116.2(7) . . ?
C38 C33 C32 120.9(6) . . ?
C33 C34 H34 119.5 . . ?
C33 C34 C35 121.0(7) . . ?
C35 C34 H34 119.5 . . ?
C34 C35 H35 118.9 . . ?
C36 C35 C34 122.2(7) . . ?
C36 C35 H35 118.9 . . ?
C35 C36 C37 118.1(7) . . ?
C35 C36 C39 119.6(7) . . ?
C37 C36 C39 122.2(7) . . ?
C36 C37 H37 119.8 . . ?
C36 C37 C38 120.4(7) . . ?
C38 C37 H37 119.8 . . ?
C33 C38 C37 122.0(7) . . ?
C33 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C40 C39 C36 120.8(7) . . ?
C44 C39 C36 122.6(8) . . ?
C44 C39 C40 116.6(8) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 C39 120.3(9) . . ?
C41 C40 H40 119.9 . . ?
C40 C41 H41 119.3 . . ?
C40 C41 C42 121.5(10) . . ?
C42 C41 H41 119.3 . . ?
C41 C42 H42 120.3 . . ?
C43 C42 C41 119.3(9) . . ?
C43 C42 H42 120.3 . . ?
C42 C43 H43 120.5 . . ?
C42 C43 C44 119.0(9) . . ?
C44 C43 H43 120.5 . . ?
C39 C44 C43 123.4(9) . . ?
C39 C44 H44 118.3 . . ?
C43 C44 H44 118.3 . . ?
N5 C45 C46 116.9(5) . . ?
N5 C45 C50 122.9(5) . . ?
C50 C45 C46 120.1(5) . . ?
O3 C46 C45 118.1(5) . . ?
O3 C46 C47 124.3(5) . . ?
C47 C46 C45 117.6(5) . . ?
C46 C47 H47 119.3 . . ?
C46 C47 C48 121.3(6) . . ?
C48 C47 H47 119.3 . . ?
C47 C48 H48 118.6 . . ?
C49 C48 C47 122.8(6) . . ?
C49 C48 H48 118.6 . . ?
N6 C49 C50 116.3(6) . . ?
C48 C49 N6 125.0(6) . . ?
C48 C49 C50 118.4(6) . . ?
C45 C50 C49 119.6(6) . . ?
C51 C50 C45 116.2(6) . . ?
C51 C50 C49 124.2(5) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.1(6) . . ?
C52 C51 H51 119.5 . . ?
C51 C52 H52 120.3 . . ?
C51 C52 C53 119.3(6) . . ?
C53 C52 H52 120.3 . . ?
N5 C53 C52 122.5(6) . . ?
N5 C53 H53 118.8 . . ?
C52 C53 H53 118.8 . . ?
N6 C54 H54 119.2 . . ?
N6 C54 C55 121.7(8) . . ?
C55 C54 H54 119.2 . . ?
C56 C55 C54 119.9(9) . . ?
C60 C55 C54 123.2(7) . . ?
C60 C55 C56 116.8(8) . . ?
C55 C56 H56 119.5 . . ?
C55 C56 C57 120.9(9) . . ?
C57 C56 H56 119.5 . . ?
C56 C57 H57 119.2 . . ?
C58 C57 C56 121.7(8) . . ?
C58 C57 H57 119.2 . . ?
C57 C58 C61 120.1(7) . . ?
C59 C58 C57 115.1(8) . . ?
C59 C58 C61 124.7(8) . . ?
C58 C59 H59 118.1 . . ?
C58 C59 C60 123.8(10) . . ?
C60 C59 H59 118.1 . . ?
C55 C60 C59 121.5(9) . . ?
C55 C60 H60 119.2 . . ?
C59 C60 H60 119.2 . . ?
C62 C61 C58 121.3(8) . . ?
C62 C61 C66 117.8(8) . . ?
C66 C61 C58 120.8(8) . . ?
C61 C62 H62 118.6 . . ?
C61 C62 C63 122.9(10) . . ?
C63 C62 H62 118.6 . . ?
C62 C63 H63 121.8 . . ?
C64 C63 C62 116.3(9) . . ?
C64 C63 H63 121.8 . . ?
C63 C64 H64 119.1 . . ?
C65 C64 C63 121.8(10) . . ?
C65 C64 H64 119.1 . . ?
C64 C65 H65 120.8 . . ?
C64 C65 C66 118.4(11) . . ?
C66 C65 H65 120.8 . . ?
C61 C66 C65 122.6(11) . . ?
C61 C66 H66 118.7 . . ?
C65 C66 H66 118.7 . . ?
H67A C67 H67B 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C68 C67 H67A 109.5 . . ?
C68 C67 H67B 109.5 . . ?
C68 C67 H67C 109.5 . . ?
O4 C68 C67 115.6(7) . . ?
O4 C68 C69 124.8(6) . . ?
C69 C68 C67 119.6(7) . . ?
C68 C69 H69 117.3 . . ?
C70 C69 C68 125.5(6) . . ?
C70 C69 H69 117.3 . . ?
O5 C70 C69 124.4(6) . . ?
O5 C70 C71 116.1(7) . . ?
C69 C70 C71 119.5(7) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71B 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
H72A C72 H72B 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C73 C72 H72A 109.5 . . ?
C73 C72 H72B 109.5 . . ?
C73 C72 H72C 109.5 . . ?
O6 C73 C72 114.9(7) . . ?
O6 C73 C74 123.8(7) . . ?
C74 C73 C72 121.2(7) . . ?
C73 C74 H74 117.8 . . ?
C73 C74 C75 124.5(7) . . ?
C75 C74 H74 117.8 . . ?
O7 C75 C74 124.0(7) . . ?
O7 C75 C76 117.2(7) . . ?
C74 C75 C76 118.7(7) . . ?
C75 C76 H76A 109.5 . . ?
C75 C76 H76B 109.5 . . ?
C75 C76 H76C 109.5 . . ?
H76A C76 H76B 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
N7 C77 C78 160(3) . . ?
C77 C78 H78A 109.5 . . ?
C77 C78 H78B 109.5 . . ?
C77 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 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
Gd1 O1 C2 C1 -22.3(7) . . . . ?
Gd1 O1 C2 C3 159.5(5) . . . . ?
Gd1 O2 C24 C23 -2.2(8) . . . . ?
Gd1 O2 C24 C25 178.7(6) . . . . ?
Gd1 O3 C46 C45 120.5(5) 3_566 . . . ?
Gd1 O3 C46 C47 -57.0(8) 3_566 . . . ?
Gd1 O4 C68 C67 177.4(6) . . . . ?
Gd1 O4 C68 C69 -5.6(11) . . . . ?
Gd1 O5 C70 C69 -16.3(11) . . . . ?
Gd1 O5 C70 C71 163.8(6) . . . . ?
Gd1 N1 C1 C2 18.3(7) . . . . ?
Gd1 N1 C1 C6 -162.5(5) . . . . ?
Gd1 N1 C9 C8 164.4(7) . . . . ?
Gd1 N3 C23 C24 0.2(7) . . . . ?
Gd1 N3 C23 C28 -177.5(5) . . . . ?
Gd1 N3 C31 C30 -176.6(5) . . . . ?
Gd2 O1 C2 C1 168.8(4) . . . . ?
Gd2 O1 C2 C3 -9.4(10) . . . . ?
Gd2 O2 C24 C23 -166.3(4) . . . . ?
Gd2 O2 C24 C25 14.5(11) . . . . ?
Gd2 O3 C46 C45 -23.9(7) . . . . ?
Gd2 O3 C46 C47 158.5(6) . . . . ?
Gd2 O6 C73 C72 167.0(7) . . . . ?
Gd2 O6 C73 C74 -8.9(15) . . . . ?
Gd2 O7 C75 C74 9.6(14) . . . . ?
Gd2 O7 C75 C76 -168.0(6) . . . . ?
Gd2 N5 C45 C46 14.0(6) . . . . ?
Gd2 N5 C45 C50 -169.3(5) . . . . ?
Gd2 N5 C53 C52 169.7(4) . . . . ?
O1 C2 C3 C4 -178.2(6) . . . . ?
O2 C24 C25 C26 -176.0(7) . . . . ?
O3 C46 C47 C48 173.1(7) . . . . ?
O4 C68 C69 C70 1.0(13) . . . . ?
O6 C73 C74 C75 -4.2(19) . . . . ?
N1 C1 C2 O1 1.3(8) . . . . ?
N1 C1 C2 C3 179.6(6) . . . . ?
N1 C1 C6 C5 175.7(6) . . . . ?
N1 C1 C6 C7 -4.8(10) . . . . ?
N2 C5 C6 C1 -178.1(6) . . . . ?
N2 C5 C6 C7 2.5(11) . . . . ?
N2 C10 C11 C12 178.2(8) . . . . ?
N2 C10 C11 C16 -2.9(14) . . . . ?
N3 C23 C24 O2 1.2(9) . . . . ?
N3 C23 C24 C25 -179.6(6) . . . . ?
N3 C23 C28 C27 174.4(7) . . . . ?
N3 C23 C28 C29 -6.3(10) . . . . ?
N4 C27 C28 C23 -176.0(7) . . . . ?
N4 C27 C28 C29 4.7(12) . . . . ?
N4 C32 C33 C34 10.2(13) . . . . ?
N4 C32 C33 C38 -170.6(8) . . . . ?
N5 C45 C46 O3 5.1(8) . . . . ?
N5 C45 C46 C47 -177.2(6) . . . . ?
N5 C45 C50 C49 179.1(6) . . . . ?
N5 C45 C50 C51 -1.2(9) . . . . ?
N6 C49 C50 C45 174.9(6) . . . . ?
N6 C49 C50 C51 -4.8(11) . . . . ?
N6 C54 C55 C56 -178.1(8) . . . . ?
N6 C54 C55 C60 -0.9(14) . . . . ?
C1 N1 C9 C8 0.7(12) . . . . ?
C1 C2 C3 C4 3.6(9) . . . . ?
C1 C6 C7 C8 1.8(12) . . . . ?
C2 C1 C6 C5 -5.1(10) . . . . ?
C2 C1 C6 C7 174.4(7) . . . . ?
C2 C3 C4 C5 -2.9(10) . . . . ?
C3 C4 C5 N2 -177.6(6) . . . . ?
C3 C4 C5 C6 -1.8(11) . . . . ?
C4 C5 C6 C1 5.8(11) . . . . ?
C4 C5 C6 C7 -173.6(7) . . . . ?
C5 N2 C10 C11 172.5(7) . . . . ?
C5 C6 C7 C8 -178.7(8) . . . . ?
C6 C1 C2 O1 -177.9(6) . . . . ?
C6 C1 C2 C3 0.4(9) . . . . ?
C6 C7 C8 C9 2.2(14) . . . . ?
C7 C8 C9 N1 -3.7(15) . . . . ?
C9 N1 C1 C2 -175.6(6) . . . . ?
C9 N1 C1 C6 3.6(10) . . . . ?
C10 N2 C5 C4 -33.1(12) . . . . ?
C10 N2 C5 C6 151.1(8) . . . . ?
C10 C11 C12 C13 178.2(8) . . . . ?
C10 C11 C16 C15 -178.5(10) . . . . ?
C11 C12 C13 C14 -0.6(13) . . . . ?
C12 C11 C16 C15 0.4(15) . . . . ?
C12 C13 C14 C15 2.2(13) . . . . ?
C12 C13 C14 C17 171.7(9) . . . . ?
C12 C13 C14 C17' -173.6(9) . . . . ?
C13 C14 C15 C16 -2.6(16) . . . . ?
C13 C14 C17 C18 -29.6(19) . . . . ?
C13 C14 C17 C22 151.2(11) . . . . ?
C13 C14 C17' C18' 21.0(14) . . . . ?
C13 C14 C17' C22' -148.2(9) . . . . ?
C14 C15 C16 C11 1.3(18) . . . . ?
C14 C17 C18 C19 -177.5(13) . . . . ?
C14 C17 C22 C21 176.0(12) . . . . ?
C14 C17' C18' C19' -169.7(9) . . . . ?
C14 C17' C22' C21' 168.6(10) . . . . ?
C15 C14 C17 C18 137.7(16) . . . . ?
C15 C14 C17 C22 -41.5(18) . . . . ?
C15 C14 C17' C18' -155.0(8) . . . . ?
C15 C14 C17' C22' 35.8(12) . . . . ?
C16 C11 C12 C13 -0.7(13) . . . . ?
C17 C14 C15 C16 -169.5(12) . . . . ?
C17 C18 C19 C20 2(2) . . . . ?
C18 C17 C22 C21 -3(2) . . . . ?
C18 C19 C20 C21 -3(2) . . . . ?
C19 C20 C21 C22 1(2) . . . . ?
C20 C21 C22 C17 2(2) . . . . ?
C22 C17 C18 C19 2(2) . . . . ?
C17' C14 C15 C16 174.2(10) . . . . ?
C17' C18' C19' C20' 0.0 . . . . ?
C18' C17' C22' C21' 0.0 . . . . ?
C18' C19' C20' C21' 0.0 . . . . ?
C19' C20' C21' C22' 0.0 . . . . ?
C20' C21' C22' C17' 0.0 . . . . ?
C22' C17' C18' C19' 0.0 . . . . ?
C23 N3 C31 C30 -1.6(10) . . . . ?
C23 C24 C25 C26 4.9(12) . . . . ?
C23 C28 C29 C30 0.4(11) . . . . ?
C24 C23 C28 C27 -3.2(11) . . . . ?
C24 C23 C28 C29 176.2(7) . . . . ?
C24 C25 C26 C27 -2.9(14) . . . . ?
C25 C26 C27 N4 179.0(9) . . . . ?
C25 C26 C27 C28 -2.2(14) . . . . ?
C26 C27 C28 C23 5.1(12) . . . . ?
C26 C27 C28 C29 -174.1(8) . . . . ?
C27 N4 C32 C33 -177.6(7) . . . . ?
C27 C28 C29 C30 179.7(8) . . . . ?
C28 C23 C24 O2 178.9(6) . . . . ?
C28 C23 C24 C25 -1.9(10) . . . . ?
C28 C29 C30 C31 4.6(12) . . . . ?
C29 C30 C31 N3 -4.1(12) . . . . ?
C31 N3 C23 C24 -175.4(6) . . . . ?
C31 N3 C23 C28 6.9(9) . . . . ?
C32 N4 C27 C26 -11.6(14) . . . . ?
C32 N4 C27 C28 169.6(8) . . . . ?
C32 C33 C34 C35 -179.8(8) . . . . ?
C32 C33 C38 C37 179.4(7) . . . . ?
C33 C34 C35 C36 -0.1(15) . . . . ?
C34 C33 C38 C37 -1.4(12) . . . . ?
C34 C35 C36 C37 -0.3(13) . . . . ?
C34 C35 C36 C39 -178.8(8) . . . . ?
C35 C36 C37 C38 -0.2(12) . . . . ?
C35 C36 C39 C40 137.4(9) . . . . ?
C35 C36 C39 C44 -40.2(12) . . . . ?
C36 C37 C38 C33 1.0(13) . . . . ?
C36 C39 C40 C41 -177.1(9) . . . . ?
C36 C39 C44 C43 177.1(8) . . . . ?
C37 C36 C39 C40 -41.1(11) . . . . ?
C37 C36 C39 C44 141.2(9) . . . . ?
C38 C33 C34 C35 0.9(13) . . . . ?
C39 C36 C37 C38 178.4(7) . . . . ?
C39 C40 C41 C42 -0.4(17) . . . . ?
C40 C39 C44 C43 -0.7(14) . . . . ?
C40 C41 C42 C43 0.0(18) . . . . ?
C41 C42 C43 C44 0.1(17) . . . . ?
C42 C43 C44 C39 0.2(17) . . . . ?
C44 C39 C40 C41 0.7(14) . . . . ?
C45 N5 C53 C52 1.2(9) . . . . ?
C45 C46 C47 C48 -4.5(11) . . . . ?
C45 C50 C51 C52 -0.3(10) . . . . ?
C46 C45 C50 C49 -4.3(9) . . . . ?
C46 C45 C50 C51 175.4(6) . . . . ?
C46 C47 C48 C49 1.2(13) . . . . ?
C47 C48 C49 N6 -172.7(8) . . . . ?
C47 C48 C49 C50 0.6(12) . . . . ?
C48 C49 C50 C45 1.0(11) . . . . ?
C48 C49 C50 C51 -178.7(7) . . . . ?
C49 N6 C54 C55 171.0(7) . . . . ?
C49 C50 C51 C52 179.3(7) . . . . ?
C50 C45 C46 O3 -171.7(5) . . . . ?
C50 C45 C46 C47 6.0(9) . . . . ?
C50 C51 C52 C53 2.2(10) . . . . ?
C51 C52 C53 N5 -2.8(10) . . . . ?
C53 N5 C45 C46 -175.9(5) . . . . ?
C53 N5 C45 C50 0.8(8) . . . . ?
C54 N6 C49 C48 -30.1(12) . . . . ?
C54 N6 C49 C50 156.5(8) . . . . ?
C54 C55 C56 C57 174.8(8) . . . . ?
C54 C55 C60 C59 -175.0(9) . . . . ?
C55 C56 C57 C58 -0.6(14) . . . . ?
C56 C55 C60 C59 2.2(16) . . . . ?
C56 C57 C58 C59 4.0(14) . . . . ?
C56 C57 C58 C61 -179.0(8) . . . . ?
C57 C58 C59 C60 -4.4(16) . . . . ?
C57 C58 C61 C62 -39.8(12) . . . . ?
C57 C58 C61 C66 144.0(10) . . . . ?
C58 C59 C60 C55 1.4(18) . . . . ?
C58 C61 C62 C63 -177.4(8) . . . . ?
C58 C61 C66 C65 179.8(10) . . . . ?
C59 C58 C61 C62 136.9(10) . . . . ?
C59 C58 C61 C66 -39.3(14) . . . . ?
C60 C55 C56 C57 -2.5(14) . . . . ?
C61 C58 C59 C60 178.7(10) . . . . ?
C61 C62 C63 C64 -0.9(13) . . . . ?
C62 C61 C66 C65 3.5(16) . . . . ?
C62 C63 C64 C65 0.6(15) . . . . ?
C63 C64 C65 C66 1.6(19) . . . . ?
C64 C65 C66 C61 -4(2) . . . . ?
C66 C61 C62 C63 -1.1(13) . . . . ?
C67 C68 C69 C70 177.9(8) . . . . ?
C68 C69 C70 O5 9.7(12) . . . . ?
C68 C69 C70 C71 -170.4(8) . . . . ?
C72 C73 C74 C75 -179.9(11) . . . . ?
C73 C74 C75 O7 3.9(19) . . . . ?
C73 C74 C75 C76 -178.6(11) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_111_sq
_database_code_depnum_ccdc_archive 'CCDC 1842957'
_audit_update_record             
;
2018-07-27 deposited with the CCDC.
2018-07-30 downloaded from the CCDC.
;
_audit_creation_date             2018-07-09
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C152 H120 Dy4 N12 O16'
_chemical_formula_sum            'C152 H120 Dy4 N12 O16'
_chemical_formula_weight         3020.59
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.813(4)
_cell_length_b                   21.610(5)
_cell_length_c                   18.034(5)
_cell_angle_alpha                90
_cell_angle_beta                 109.505(8)
_cell_angle_gamma                90
_cell_volume                     6544(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9866
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      28.35
_cell_measurement_theta_min      2.94
_shelx_estimated_absorpt_T_max   0.784
_shelx_estimated_absorpt_T_min   0.464
_exptl_absorpt_coefficient_mu    2.328
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5741
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1018 before and 0.0598 after correction.
The Ratio of minimum to maximum transmission is 0.7699.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3016
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.11
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0634
_diffrn_reflns_av_unetI/netI     0.0700
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            47161
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.009
_diffrn_reflns_theta_max         25.009
_diffrn_reflns_theta_min         2.939
_diffrn_ambient_temperature      299.24
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6803
_reflns_number_total             11466
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         1.677
_refine_diff_density_min         -0.919
_refine_diff_density_rms         0.146
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     736
_refine_ls_number_reflns         11466
_refine_ls_number_restraints     358
_refine_ls_R_factor_all          0.1431
_refine_ls_R_factor_gt           0.0817
_refine_ls_restrained_S_all      1.060
_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)+(0.0773P)²+83.1927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1876
_refine_ls_wR_factor_ref         0.2350
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 O8-H8
 0.85 with sigma of 0.02
 H49A_$1-H24_$2
 2.2 with sigma of 0.02
 H8_$3-O6
 2.2 with sigma of 0.02
 C48A-C48 \\sim C48-C48B
 with sigma of 0.02
3. Rigid bond restraints
 C46B, C45
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C14, C19
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C4, C7
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C48B, C48A, C48
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 C55, C56
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C33 \\sim C32 \\sim C31: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C30 \\sim C29 \\sim C34: within 1.7A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C2 \\sim C3 \\sim C4 \\sim C5: within 1.7A with sigma of 0.01 and sigma for
terminal atoms of 0.02
C4 \\sim C7: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C48 \\sim C48B \\sim C48A: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C56 \\sim C55: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
C25 \\sim C26 \\sim C27: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C45 \\sim C46A \\sim C46B: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
C25 \\sim C23 \\sim C24: within 2A with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(C10) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C7) \\sim Ueq, Uanis(C9) \\sim
Ueq, Uanis(C12) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C11) \\sim Ueq, Uanis(C5)
\\sim Ueq, Uanis(C6) \\sim Ueq, Uanis(C1) \\sim Ueq, Uanis(C3) \\sim Ueq,
Uanis(C2) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C57) \\sim Ueq, Uanis(C54) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C48A) \\sim Ueq, Uanis(C49B) \\sim Ueq, Uanis(C47B) \\sim Ueq,
Uanis(C46B) \\sim Ueq, Uanis(C48B) \\sim Ueq, Uanis(C46A) \\sim Ueq,
Uanis(C47A) \\sim Ueq, Uanis(C49A) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.02
Uanis(C30) \\sim Ueq, Uanis(C29) \\sim Ueq, Uanis(C34) \\sim Ueq, Uanis(C33)
\\sim Ueq, Uanis(C35) \\sim Ueq, Uanis(C32) \\sim Ueq, Uanis(C31) \\sim Ueq,
Uanis(C53) \\sim Ueq, Uanis(C52) \\sim Ueq, Uanis(C51) \\sim Ueq, Uanis(C55)
\\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
Uanis(C27) \\sim Ueq, Uanis(C26) \\sim Ueq, Uanis(C25) \\sim Ueq, Uanis(C24)
\\sim Ueq, Uanis(C23) \\sim Ueq, Uanis(C28) \\sim Ueq: with sigma of 0.01 and
sigma for terminal atoms of 0.02
Uanis(C47B) = Uanis(C46B) = Uanis(C46A) = Uanis(C47A) = Uanis(C48A) =
Uanis(C49B) = Uanis(C48B) = Uanis(C49A)
5. Others
 Sof(C48A)=Sof(H48A)=Sof(H45A)=Sof(C46A)=Sof(H46A)=Sof(C47A)=Sof(H47A)=
 Sof(C49A)=Sof(H49A)=1-FVAR(1)
 Sof(C49B)=Sof(H49B)=Sof(C47B)=Sof(H47B)=Sof(H45)=Sof(C46B)=Sof(H46B)=
 Sof(C48B)=Sof(H48B)=FVAR(1)
6.a Aromatic/amide H refined with riding coordinates:
 C37(H37), C38(H38), C15(H15), C16(H16), C43(H43), C69(H69), C44(H44),
 C13(H13), C42(H42), C20(H20), C60(H60), C59(H59), C22(H22), C21(H21), C66(H66),
  C64(H64), C12(H12), C8(H8A), C9(H9), C11(H11), C65(H65), C57(H57), C5(H5),
 C6(H6), C1(H1), C2(H2), C3(H3), C74(H74), C27(H27), C28(H28), C23(H23),
 C24(H24), C25(H25), C53(H53), C52(H52), C56(H56), C55(H55), C35(H35), C31(H31),
  C30(H30), C34(H34), C33(H33), C48A(H48A), C49B(H49B), C47B(H47B), C45(H45),
 C45(H45A), C46B(H46B), C48B(H48B), C46A(H46A), C47A(H47A), C49A(H49A)
6.b Fitted hexagon refined as free rotating group:
 C39(C40,C41,C36,C37,C38), C17(C18,C19,C14,C15,C16), C61(C60,C59,C58,C63,C62),
 C12(C7,C8,C9,C10,C11), C5(C6,C1,C2,C3,C4), C26(C27,C28,C23,C24,C25), C54(C53,
 C52,C51,C56,C55), C32(C31,C30,C29,C34,C33)
6.c Idealised Me refined as rotating group:
 C71(H71A,H71B,H71C), C67(H67A,H67B,H67C), C72(H72A,H72B,H72C), C76(H76A,H76B,
 H76C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Dy1 Dy 0.94468(4) 0.52853(3) 0.56850(4) 0.0614(2) Uani 1 1 d . . . . .
Dy2 Dy 0.88018(4) 0.58618(3) 0.37245(4) 0.0649(2) Uani 1 1 d . . . . .
O8 O 0.9966(5) 0.5588(4) 0.4702(5) 0.056(2) Uani 1 1 d D . . . .
O2 O 1.0589(5) 0.4998(4) 0.6718(5) 0.069(3) Uani 1 1 d . . . . .
O5 O 0.9611(6) 0.6733(5) 0.3938(7) 0.086(3) Uani 1 1 d . . . . .
O1 O 0.8682(6) 0.6167(4) 0.4965(5) 0.071(3) Uani 1 1 d . . . . .
N4 N 1.0375(7) 0.6193(5) 0.6269(7) 0.068(3) Uani 1 1 d . . . . .
O4 O 0.8705(7) 0.6213(5) 0.2508(6) 0.091(3) Uani 1 1 d . . . . .
O6 O 0.8816(7) 0.4486(5) 0.6085(7) 0.088(3) Uani 1 1 d D . . . .
O3 O 0.8519(5) 0.5007(4) 0.4431(6) 0.071(3) Uani 1 1 d . . . . .
N3 N 1.2353(12) 0.6834(7) 0.8721(10) 0.137(7) Uani 1 1 d . . . . .
C70 C 0.9769(11) 0.7124(7) 0.3499(11) 0.088(5) Uani 1 1 d . . . . .
N2 N 0.7835(8) 0.6747(6) 0.3634(9) 0.093(4) Uani 1 1 d . . . . .
N6 N 0.7542(7) 0.5301(6) 0.2993(8) 0.086(4) Uani 1 1 d . . . . .
C39 C 1.0946(6) 0.5449(4) 0.7266(6) 0.083(5) Uani 1 1 d . . . . .
C40 C 1.0897(6) 0.6060(4) 0.7016(5) 0.080(5) Uani 1 1 d G . . . .
C41 C 1.1340(7) 0.6515(3) 0.7519(6) 0.093(5) Uani 1 1 d G . . . .
C36 C 1.1833(7) 0.6358(5) 0.8272(6) 0.111(7) Uani 1 1 d G . . . .
C37 C 1.1882(8) 0.5746(5) 0.8522(5) 0.127(8) Uani 1 1 d G . . . .
H37 H 1.221127 0.564086 0.902517 0.153 Uiso 1 1 calc R . . . .
C38 C 1.1439(7) 0.5292(4) 0.8019(6) 0.107(7) Uani 1 1 d G . . . .
H38 H 1.147148 0.488224 0.818612 0.129 Uiso 1 1 calc R . . . .
C17 C 0.8218(6) 0.6622(5) 0.5046(6) 0.079(5) Uani 1 1 d . . . . .
C18 C 0.7772(7) 0.6939(5) 0.4372(5) 0.076(4) Uani 1 1 d G . . . .
C19 C 0.7231(7) 0.7389(5) 0.4416(6) 0.100(6) Uani 1 1 d G U . . .
C14 C 0.7137(7) 0.7523(6) 0.5133(7) 0.114(7) Uani 1 1 d G U . . .
C15 C 0.7583(8) 0.7207(6) 0.5807(6) 0.148(10) Uani 1 1 d G . . . .
H15 H 0.751998 0.729637 0.628735 0.178 Uiso 1 1 calc R . . . .
C16 C 0.8124(7) 0.6756(5) 0.5764(5) 0.095(6) Uani 1 1 d G . . . .
H16 H 0.842240 0.654451 0.621451 0.114 Uiso 1 1 calc R . . . .
O7 O 0.9078(7) 0.5641(5) 0.6723(7) 0.087(3) Uani 1 1 d . . . . .
N1 N 0.6512(12) 0.7965(9) 0.5133(11) 0.134(7) Uani 1 1 d . . . . .
C43 C 1.0763(11) 0.7253(7) 0.6460(11) 0.095(5) Uani 1 1 d . . . . .
H43 H 1.072068 0.765023 0.625166 0.114 Uiso 1 1 calc R . . . .
C69 C 0.9521(13) 0.7081(9) 0.2692(13) 0.113(7) Uani 1 1 d . . . . .
H69 H 0.969694 0.738788 0.242707 0.136 Uiso 1 1 calc R . . . .
C44 C 1.0312(9) 0.6773(6) 0.6023(10) 0.084(5) Uani 1 1 d . . . . .
H44 H 0.994608 0.686402 0.553090 0.100 Uiso 1 1 calc R . . . .
C13 C 0.6238(13) 0.8019(11) 0.5682(16) 0.135(8) Uani 1 1 d . . . . .
H13 H 0.644567 0.776146 0.611484 0.162 Uiso 1 1 calc R . . . .
C73 C 0.8632(12) 0.4360(9) 0.6670(14) 0.100(6) Uani 1 1 d . . . . .
C42 C 1.1269(11) 0.7134(8) 0.7200(12) 0.105(6) Uani 1 1 d . . . . .
H42 H 1.157099 0.745355 0.750111 0.126 Uiso 1 1 calc R . . . .
C20 C 0.6836(12) 0.7734(9) 0.3705(13) 0.115(7) Uani 1 1 d . . . . .
H20 H 0.648123 0.804956 0.370464 0.138 Uiso 1 1 calc R . . . .
C61 C 0.8031(6) 0.4556(4) 0.4025(6) 0.072(4) Uani 1 1 d . . . . .
C60 C 0.8051(6) 0.3961(5) 0.4324(5) 0.093(5) Uani 1 1 d G . . . .
H60 H 0.840314 0.386582 0.482127 0.112 Uiso 1 1 calc R . . . .
C59 C 0.7546(7) 0.3508(4) 0.3878(7) 0.113(7) Uani 1 1 d G . . . .
H59 H 0.755922 0.310976 0.407743 0.135 Uiso 1 1 calc R . . . .
C58 C 0.7020(6) 0.3650(4) 0.3134(7) 0.101(6) Uani 1 1 d G . . . .
C63 C 0.7000(6) 0.4245(5) 0.2836(5) 0.105(6) Uani 1 1 d G . . . .
C62 C 0.7506(7) 0.4698(4) 0.3282(6) 0.092(5) Uani 1 1 d G . . . .
C22 C 0.7427(14) 0.7087(8) 0.3058(10) 0.138(10) Uani 1 1 d . . . . .
H22 H 0.743827 0.695805 0.256957 0.166 Uiso 1 1 calc R . . . .
C75 C 0.8885(13) 0.5389(11) 0.7265(13) 0.109(6) Uani 1 1 d . . . . .
C68 C 0.9033(12) 0.6624(9) 0.2233(12) 0.096(5) Uani 1 1 d . . . . .
C21 C 0.6993(13) 0.7586(8) 0.3032(13) 0.120(7) Uani 1 1 d . . . . .
H21 H 0.680384 0.782685 0.257961 0.144 Uiso 1 1 calc R . . . .
C66 C 0.7038(12) 0.5437(9) 0.2309(12) 0.122(7) Uani 1 1 d . . . . .
H66 H 0.707178 0.582508 0.210082 0.146 Uiso 1 1 calc R . . . .
N5 N 0.6485(10) 0.3209(8) 0.2651(12) 0.141(7) Uani 1 1 d . . . . .
C64 C 0.6444(12) 0.4459(12) 0.2103(14) 0.145(10) Uani 1 1 d . . . . .
H64 H 0.607425 0.418216 0.178814 0.174 Uiso 1 1 calc R . . . .
C12 C 0.4581(10) 0.9176(8) 0.5031(10) 0.167(10) Uani 1 1 d . U . . .
H12 H 0.429399 0.939007 0.457765 0.201 Uiso 1 1 calc R . . . .
C7 C 0.4402(9) 0.9257(8) 0.5719(13) 0.177(7) Uani 1 1 d G U . . .
C8 C 0.4830(11) 0.8937(9) 0.6397(10) 0.159(10) Uani 1 1 d G U . . .
H8A H 0.471022 0.899122 0.685645 0.190 Uiso 1 1 calc R . . . .
C9 C 0.5437(10) 0.8537(8) 0.6388(8) 0.137(8) Uani 1 1 d G U . . .
H9 H 0.572401 0.832270 0.684121 0.164 Uiso 1 1 calc R . . . .
C10 C 0.5616(8) 0.8456(7) 0.5700(11) 0.124(7) Uani 1 1 d G U . . .
C11 C 0.5188(11) 0.8776(8) 0.5022(8) 0.145(8) Uani 1 1 d G U . . .
H11 H 0.530780 0.872154 0.456241 0.175 Uiso 1 1 calc R . . . .
C65 C 0.6444(13) 0.5031(10) 0.1865(13) 0.144(10) Uani 1 1 d . . . . .
H65 H 0.605511 0.516606 0.140697 0.173 Uiso 1 1 calc R . . . .
C57 C 0.6692(14) 0.2637(11) 0.2693(14) 0.129(7) Uani 1 1 d . U . . .
H57 H 0.719303 0.252390 0.303144 0.155 Uiso 1 1 calc R . . . .
C71 C 1.0297(15) 0.7658(10) 0.3938(14) 0.155(10) Uani 1 1 d . . . . .
H71A H 1.016484 0.775956 0.439763 0.232 Uiso 1 1 calc GR . . . .
H71B H 1.021230 0.801235 0.359970 0.232 Uiso 1 1 calc GR . . . .
H71C H 1.084632 0.753534 0.409242 0.232 Uiso 1 1 calc GR . . . .
C5 C 0.3564(13) 1.0216(12) 0.5271(12) 0.191(8) Uani 1 1 d . U . . .
H5 H 0.392253 1.033574 0.502313 0.229 Uiso 1 1 calc R . . . .
C6 C 0.2917(16) 1.0591(9) 0.5229(12) 0.215(14) Uani 1 1 d G U . . .
H6 H 0.284278 1.096182 0.495236 0.258 Uiso 1 1 calc R . . . .
C1 C 0.2382(12) 1.0411(12) 0.5599(15) 0.247(18) Uani 1 1 d G U . . .
H1 H 0.194942 1.066221 0.557105 0.296 Uiso 1 1 calc R . . . .
C2 C 0.2494(13) 0.9857(13) 0.6013(13) 0.209(8) Uani 1 1 d G U . . .
H2 H 0.213580 0.973652 0.626051 0.251 Uiso 1 1 calc R . . . .
C3 C 0.3141(16) 0.9482(9) 0.6055(12) 0.200(7) Uani 1 1 d G U . . .
H3 H 0.321554 0.911044 0.633130 0.240 Uiso 1 1 calc R . . . .
C4 C 0.3676(12) 0.9661(11) 0.5684(14) 0.185(6) Uani 1 1 d G U . . .
C74 C 0.8669(17) 0.4783(12) 0.7261(15) 0.139(9) Uani 1 1 d . . . . .
H74 H 0.853525 0.464181 0.768829 0.166 Uiso 1 1 calc R . . . .
C67 C 0.8916(15) 0.6579(11) 0.1351(12) 0.138(8) Uani 1 1 d . . . . .
H67A H 0.932084 0.631726 0.127687 0.207 Uiso 1 1 calc GR . . . .
H67B H 0.895328 0.698407 0.114882 0.207 Uiso 1 1 calc GR . . . .
H67C H 0.840105 0.640649 0.107737 0.207 Uiso 1 1 calc GR . . . .
C26 C 1.5192(11) 0.8455(8) 1.1289(11) 0.168(7) Uani 1 1 d . U . . .
C27 C 1.5126(10) 0.8704(7) 1.1975(13) 0.167(7) Uani 1 1 d G U . . .
H27 H 1.468239 0.861413 1.211917 0.201 Uiso 1 1 calc R . . . .
C28 C 1.5722(13) 0.9086(7) 1.2447(9) 0.174(11) Uani 1 1 d G U . . .
H28 H 1.567788 0.925267 1.290614 0.209 Uiso 1 1 calc R . . . .
C23 C 1.6385(11) 0.9220(8) 1.2232(12) 0.187(8) Uani 1 1 d G U . . .
H23 H 1.678364 0.947621 1.254748 0.224 Uiso 1 1 calc R . . . .
C24 C 1.6451(10) 0.8972(7) 1.1546(13) 0.188(7) Uani 1 1 d G U . . .
H24 H 1.689391 0.906122 1.140187 0.225 Uiso 1 1 calc DR . . . .
C25 C 1.5854(14) 0.8589(7) 1.1074(9) 0.182(7) Uani 1 1 d G U . . .
H25 H 1.589842 0.842268 1.061489 0.218 Uiso 1 1 calc R . . . .
C72 C 0.8360(17) 0.3719(10) 0.6749(16) 0.161(11) Uani 1 1 d . . . . .
H72A H 0.802020 0.357524 0.624476 0.242 Uiso 1 1 calc GR . . . .
H72B H 0.807123 0.371792 0.711256 0.242 Uiso 1 1 calc GR . . . .
H72C H 0.881416 0.345128 0.693917 0.242 Uiso 1 1 calc GR . . . .
C54 C 0.6141(9) 0.2138(6) 0.2205(9) 0.130(7) Uani 1 1 d . U . . .
C53 C 0.5358(10) 0.2291(6) 0.1778(10) 0.152(9) Uani 1 1 d G U . . .
H53 H 0.518908 0.269975 0.175701 0.183 Uiso 1 1 calc R . . . .
C52 C 0.4827(7) 0.1833(8) 0.1382(9) 0.149(9) Uani 1 1 d G U . . .
H52 H 0.430333 0.193556 0.109577 0.179 Uiso 1 1 calc R . . . .
C51 C 0.5080(9) 0.1222(7) 0.1413(9) 0.126(7) Uani 1 1 d G U . . .
C56 C 0.5863(10) 0.1069(5) 0.1840(10) 0.136(6) Uani 1 1 d G U . . .
H56 H 0.603203 0.066010 0.186136 0.163 Uiso 1 1 calc R . . . .
C55 C 0.6394(7) 0.1527(7) 0.2237(9) 0.134(6) Uani 1 1 d G U . . .
H55 H 0.691779 0.142428 0.252261 0.161 Uiso 1 1 calc R . . . .
C35 C 1.2678(16) 0.6809(12) 0.9393(16) 0.147(9) Uani 1 1 d . U . . .
H35 H 1.257504 0.646217 0.964942 0.177 Uiso 1 1 calc R . . . .
C76 C 0.893(2) 0.5824(13) 0.7937(15) 0.190(13) Uani 1 1 d . . . . .
H76A H 0.898308 0.624165 0.777871 0.284 Uiso 1 1 calc GR . . . .
H76B H 0.938863 0.571980 0.838366 0.284 Uiso 1 1 calc GR . . . .
H76C H 0.845887 0.578568 0.807367 0.284 Uiso 1 1 calc GR . . . .
C32 C 1.3260(10) 0.7285(9) 0.9908(13) 0.171(7) Uani 1 1 d . U . . .
C31 C 1.3570(12) 0.7742(10) 0.9552(9) 0.174(8) Uani 1 1 d G U . . .
H31 H 1.336606 0.779762 0.901003 0.208 Uiso 1 1 calc R . . . .
C30 C 1.4186(12) 0.8118(8) 1.0007(13) 0.182(8) Uani 1 1 d G U . . .
H30 H 1.439369 0.842386 0.976886 0.218 Uiso 1 1 calc R . . . .
C29 C 1.4491(10) 0.8035(9) 1.0817(13) 0.177(7) Uani 1 1 d G U . . .
C34 C 1.4181(12) 0.7577(10) 1.1173(9) 0.184(8) Uani 1 1 d G U . . .
H34 H 1.438529 0.752221 1.171477 0.221 Uiso 1 1 calc R . . . .
C33 C 1.3565(12) 0.7202(8) 1.0718(13) 0.179(8) Uani 1 1 d G U . . .
H33 H 1.335766 0.689596 1.095595 0.215 Uiso 1 1 calc R . . . .
C48 C 0.4494(17) 0.0725(12) 0.0963(16) 0.138(5) Uani 1 1 d D U . . .
C48A C 0.383(3) 0.089(3) 0.042(3) 0.138(3) Uani 0.455(15) 1 d D U P A 2
H48A H 0.375006 0.131503 0.033408 0.165 Uiso 0.455(15) 1 calc R . P A 2
C49B C 0.323(3) 0.032(2) 0.040(3) 0.138(3) Uani 0.545(15) 1 d . U P A 1
H49B H 0.268924 0.037508 0.027962 0.165 Uiso 0.545(15) 1 calc R . P A 1
C47B C 0.493(3) 0.020(2) 0.071(3) 0.138(3) Uani 0.545(15) 1 d . U P A 1
H47B H 0.547848 0.016567 0.085965 0.165 Uiso 0.545(15) 1 calc R . P A 1
C45 C 0.3458(16) -0.0119(13) 0.0107(17) 0.143(5) Uani 1 1 d . U . . .
H45 H 0.307536 -0.039462 -0.019165 0.172 Uiso 0.545(15) 1 calc R . P A 1
H45A H 0.329728 -0.042525 -0.027554 0.172 Uiso 0.455(15) 1 calc R . P A 2
C46B C 0.437(3) -0.025(2) 0.021(3) 0.138(3) Uani 0.545(15) 1 d . U P A 1
H46B H 0.452937 -0.058410 -0.003164 0.165 Uiso 0.545(15) 1 calc R . P A 1
C48B C 0.375(2) 0.076(2) 0.091(3) 0.138(3) Uani 0.545(15) 1 d D U P A 1
H48B H 0.356623 0.105332 0.118171 0.165 Uiso 0.545(15) 1 calc R . P A 1
C46A C 0.394(3) -0.028(3) 0.080(3) 0.138(3) Uani 0.455(15) 1 d . U P A 2
H46A H 0.394449 -0.068938 0.097386 0.165 Uiso 0.455(15) 1 calc R . P A 2
C47A C 0.445(3) 0.016(3) 0.127(3) 0.138(3) Uani 0.455(15) 1 d . U P A 2
H47A H 0.476060 0.007402 0.179103 0.165 Uiso 0.455(15) 1 calc R . P A 2
C49A C 0.317(4) 0.047(3) -0.011(4) 0.138(3) Uani 0.455(15) 1 d . U P A 2
H49A H 0.268253 0.058320 -0.047723 0.165 Uiso 0.455(15) 1 calc DR . P A 2
H8 H 1.042(4) 0.552(9) 0.465(4) 0.15(9) Uiso 1 1 d D . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Dy1 Dy1 3.8421(15) 3_766 ?
Dy1 Dy2 3.5581(12) . ?
Dy1 Dy2 3.8464(11) 3_766 ?
Dy1 O8 2.351(10) . ?
Dy1 O8 2.373(9) 3_766 ?
Dy1 O2 2.338(8) . ?
Dy1 O1 2.447(9) . ?
Dy1 N4 2.555(11) . ?
Dy1 O6 2.305(11) . ?
Dy1 O3 2.390(9) . ?
Dy1 O7 2.313(11) . ?
Dy2 O8 2.306(8) . ?
Dy2 O2 2.418(9) 3_766 ?
Dy2 O5 2.324(10) . ?
Dy2 O1 2.409(10) . ?
Dy2 O4 2.273(12) . ?
Dy2 O3 2.392(9) . ?
Dy2 N2 2.542(14) . ?
Dy2 N6 2.503(12) . ?
O2 C39 1.382(11) . ?
O5 C70 1.252(19) . ?
O1 C17 1.325(11) . ?
N4 C40 1.388(13) . ?
N4 C44 1.322(17) . ?
O4 C68 1.25(2) . ?
O6 C73 1.23(2) . ?
O3 C61 1.347(11) . ?
N3 C36 1.440(17) . ?
N3 C35 1.16(3) . ?
C70 C69 1.38(2) . ?
C70 C71 1.53(2) . ?
N2 C18 1.434(16) . ?
N2 C22 1.283(19) . ?
N6 C62 1.413(15) . ?
N6 C66 1.29(2) . ?
C39 C40 1.3900 . ?
C39 C38 1.3900 . ?
C40 C41 1.3900 . ?
C41 C36 1.3900 . ?
C41 C42 1.45(2) . ?
C36 C37 1.3900 . ?
C37 C38 1.3900 . ?
C17 C18 1.3900 . ?
C17 C16 1.3900 . ?
C18 C19 1.3900 . ?
C19 C14 1.3900 . ?
C19 C20 1.44(2) . ?
C14 C15 1.3900 . ?
C14 N1 1.466(18) . ?
C15 C16 1.3900 . ?
O7 C75 1.26(2) . ?
N1 C13 1.25(3) . ?
C43 C44 1.39(2) . ?
C43 C42 1.36(2) . ?
C69 C68 1.39(3) . ?
C13 C10 1.46(2) . ?
C73 C74 1.39(3) . ?
C73 C72 1.49(3) . ?
C20 C21 1.37(3) . ?
C61 C60 1.3900 . ?
C61 C62 1.3900 . ?
C60 C59 1.3900 . ?
C59 C58 1.3900 . ?
C58 C63 1.3900 . ?
C58 N5 1.422(16) . ?
C63 C62 1.3900 . ?
C63 C64 1.44(2) . ?
C22 C21 1.32(2) . ?
C75 C74 1.36(3) . ?
C75 C76 1.51(3) . ?
C68 C67 1.54(3) . ?
C66 C65 1.40(3) . ?
N5 C57 1.28(2) . ?
C64 C65 1.31(3) . ?
C12 C7 1.3900 . ?
C12 C11 1.3900 . ?
C7 C8 1.3900 . ?
C7 C4 1.54(2) . ?
C8 C9 1.3900 . ?
C9 C10 1.3900 . ?
C10 C11 1.3900 . ?
C57 C54 1.52(2) . ?
C5 C6 1.3900 . ?
C5 C4 1.3900 . ?
C6 C1 1.3900 . ?
C1 C2 1.3900 . ?
C2 C3 1.3900 . ?
C3 C4 1.3900 . ?
C26 C27 1.3900 . ?
C26 C25 1.3900 . ?
C26 C29 1.55(2) . ?
C27 C28 1.3900 . ?
C28 C23 1.3900 . ?
C23 C24 1.3900 . ?
C24 C25 1.3900 . ?
C54 C53 1.3900 . ?
C54 C55 1.3900 . ?
C53 C52 1.3900 . ?
C52 C51 1.3900 . ?
C51 C56 1.3900 . ?
C51 C48 1.53(3) . ?
C56 C55 1.3900 . ?
C35 C32 1.53(3) . ?
C32 C31 1.3900 . ?
C32 C33 1.3900 . ?
C31 C30 1.3900 . ?
C30 C29 1.3900 . ?
C29 C34 1.3900 . ?
C34 C33 1.3900 . ?
C48 C48A 1.31(3) . ?
C48 C47B 1.53(5) . ?
C48 C48B 1.30(3) . ?
C48 C47A 1.35(5) . ?
C48A C49A 1.54(7) . ?
C49B C45 1.22(5) . ?
C49B C48B 1.42(6) . ?
C47B C46B 1.47(6) . ?
C45 C46B 1.60(5) . ?
C45 C46A 1.31(6) . ?
C45 C49A 1.38(6) . ?
C46A C47A 1.41(7) . ?

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
Dy1 Dy1 Dy2 55.13(2) 3_766 3_766 ?
Dy2 Dy1 Dy1 62.50(3) . 3_766 ?
Dy2 Dy1 Dy2 117.63(2) . 3_766 ?
O8 Dy1 Dy1 35.8(2) . 3_766 ?
O8 Dy1 Dy1 35.4(2) 3_766 3_766 ?
O8 Dy1 Dy2 84.3(2) . 3_766 ?
O8 Dy1 Dy2 90.8(2) 3_766 . ?
O8 Dy1 Dy2 34.15(19) 3_766 3_766 ?
O8 Dy1 Dy2 39.7(2) . . ?
O8 Dy1 O8 71.2(3) . 3_766 ?
O8 Dy1 O1 70.9(3) . . ?
O8 Dy1 O1 133.2(3) 3_766 . ?
O8 Dy1 N4 116.4(3) 3_766 . ?
O8 Dy1 N4 74.6(3) . . ?
O8 Dy1 O3 71.3(3) . . ?
O8 Dy1 O3 75.8(3) 3_766 . ?
O2 Dy1 Dy1 86.0(2) . 3_766 ?
O2 Dy1 Dy2 142.3(3) . . ?
O2 Dy1 Dy2 36.7(2) . 3_766 ?
O2 Dy1 O8 102.6(3) . . ?
O2 Dy1 O8 70.8(3) . 3_766 ?
O2 Dy1 O1 144.3(3) . . ?
O2 Dy1 N4 66.7(3) . . ?
O2 Dy1 O3 146.1(3) . . ?
O1 Dy1 Dy1 102.9(2) . 3_766 ?
O1 Dy1 Dy2 42.5(2) . . ?
O1 Dy1 Dy2 154.8(2) . 3_766 ?
O1 Dy1 N4 77.9(3) . . ?
N4 Dy1 Dy1 96.4(3) . 3_766 ?
N4 Dy1 Dy2 91.6(2) . 3_766 ?
N4 Dy1 Dy2 95.2(3) . . ?
O6 Dy1 Dy1 111.7(3) . 3_766 ?
O6 Dy1 Dy2 82.3(3) . 3_766 ?
O6 Dy1 Dy2 123.0(3) . . ?
O6 Dy1 O8 78.7(4) . 3_766 ?
O6 Dy1 O8 143.2(4) . . ?
O6 Dy1 O2 86.4(4) . . ?
O6 Dy1 O1 120.4(4) . . ?
O6 Dy1 N4 139.7(4) . . ?
O6 Dy1 O3 81.5(4) . . ?
O6 Dy1 O7 72.2(4) . . ?
O3 Dy1 Dy1 69.6(2) . 3_766 ?
O3 Dy1 Dy2 42.0(2) . . ?
O3 Dy1 Dy2 109.9(2) . 3_766 ?
O3 Dy1 O1 66.9(3) . . ?
O3 Dy1 N4 137.0(4) . . ?
O7 Dy1 Dy1 166.6(3) . 3_766 ?
O7 Dy1 Dy2 127.1(3) . . ?
O7 Dy1 Dy2 114.4(3) . 3_766 ?
O7 Dy1 O8 140.7(3) . 3_766 ?
O7 Dy1 O8 143.9(4) . . ?
O7 Dy1 O2 81.4(4) . . ?
O7 Dy1 O1 85.0(4) . . ?
O7 Dy1 N4 74.4(4) . . ?
O7 Dy1 O3 123.8(4) . . ?
Dy1 Dy2 Dy1 62.37(2) . 3_766 ?
O8 Dy2 Dy1 35.3(2) . 3_766 ?
O8 Dy2 Dy1 40.6(3) . . ?
O8 Dy2 O2 70.6(3) . 3_766 ?
O8 Dy2 O5 74.4(3) . . ?
O8 Dy2 O1 72.3(3) . . ?
O8 Dy2 O3 72.0(3) . . ?
O8 Dy2 N2 131.2(4) . . ?
O8 Dy2 N6 134.3(4) . . ?
O2 Dy2 Dy1 91.6(2) 3_766 . ?
O2 Dy2 Dy1 35.3(2) 3_766 3_766 ?
O2 Dy2 N2 157.8(4) 3_766 . ?
O2 Dy2 N6 82.9(4) 3_766 . ?
O5 Dy2 Dy1 94.3(3) . 3_766 ?
O5 Dy2 Dy1 98.2(3) . . ?
O5 Dy2 O2 110.8(4) . 3_766 ?
O5 Dy2 O1 82.4(4) . . ?
O5 Dy2 O3 140.1(4) . . ?
O5 Dy2 N2 76.7(4) . . ?
O5 Dy2 N6 151.2(4) . . ?
O1 Dy2 Dy1 43.3(2) . . ?
O1 Dy2 Dy1 103.5(2) . 3_766 ?
O1 Dy2 O2 134.9(3) . 3_766 ?
O1 Dy2 N2 65.5(4) . . ?
O1 Dy2 N6 106.3(4) . . ?
O4 Dy2 Dy1 106.0(3) . 3_766 ?
O4 Dy2 Dy1 166.2(3) . . ?
O4 Dy2 O8 125.6(4) . . ?
O4 Dy2 O2 80.5(4) . 3_766 ?
O4 Dy2 O5 74.5(4) . . ?
O4 Dy2 O1 143.5(4) . . ?
O4 Dy2 O3 144.1(4) . . ?
O4 Dy2 N2 81.7(5) . . ?
O4 Dy2 N6 83.5(4) . . ?
O3 Dy2 Dy1 69.5(2) . 3_766 ?
O3 Dy2 Dy1 41.9(2) . . ?
O3 Dy2 O2 77.3(3) . 3_766 ?
O3 Dy2 O1 67.5(3) . . ?
O3 Dy2 N2 110.9(4) . . ?
O3 Dy2 N6 66.2(4) . . ?
N2 Dy2 Dy1 108.3(3) . . ?
N2 Dy2 Dy1 166.4(3) . 3_766 ?
N6 Dy2 Dy1 106.8(3) . . ?
N6 Dy2 Dy1 109.6(3) . 3_766 ?
N6 Dy2 N2 82.0(4) . . ?
Dy1 O8 Dy1 108.8(3) . 3_766 ?
Dy2 O8 Dy1 110.6(3) . 3_766 ?
Dy2 O8 Dy1 99.6(4) . . ?
Dy1 O2 Dy2 107.9(3) . 3_766 ?
C39 O2 Dy1 116.9(6) . . ?
C39 O2 Dy2 128.9(7) . 3_766 ?
C70 O5 Dy2 134.5(11) . . ?
Dy2 O1 Dy1 94.2(3) . . ?
C17 O1 Dy1 141.0(8) . . ?
C17 O1 Dy2 123.9(7) . . ?
C40 N4 Dy1 111.9(7) . . ?
C44 N4 Dy1 128.3(9) . . ?
C44 N4 C40 118.4(11) . . ?
C68 O4 Dy2 136.4(12) . . ?
C73 O6 Dy1 136.8(13) . . ?
Dy1 O3 Dy2 96.2(3) . . ?
C61 O3 Dy1 144.4(8) . . ?
C61 O3 Dy2 118.8(7) . . ?
C35 N3 C36 124(2) . . ?
O5 C70 C69 124.2(16) . . ?
O5 C70 C71 114.3(17) . . ?
C69 C70 C71 121.5(18) . . ?
C18 N2 Dy2 114.8(8) . . ?
C22 N2 Dy2 132.2(14) . . ?
C22 N2 C18 112.8(14) . . ?
C62 N6 Dy2 113.3(8) . . ?
C66 N6 Dy2 127.4(14) . . ?
C66 N6 C62 117.2(14) . . ?
O2 C39 C40 118.3(8) . . ?
O2 C39 C38 121.1(7) . . ?
C40 C39 C38 120.0 . . ?
N4 C40 C39 117.4(8) . . ?
N4 C40 C41 122.5(8) . . ?
C41 C40 C39 120.0 . . ?
C40 C41 C42 116.1(10) . . ?
C36 C41 C40 120.0 . . ?
C36 C41 C42 123.9(10) . . ?
C41 C36 N3 116.9(10) . . ?
C37 C36 N3 122.6(10) . . ?
C37 C36 C41 120.0 . . ?
C36 C37 C38 120.0 . . ?
C37 C38 C39 120.0 . . ?
O1 C17 C18 117.7(8) . . ?
O1 C17 C16 122.1(8) . . ?
C18 C17 C16 120.0 . . ?
C17 C18 N2 118.0(9) . . ?
C17 C18 C19 120.0 . . ?
C19 C18 N2 121.7(8) . . ?
C18 C19 C14 120.0 . . ?
C18 C19 C20 116.9(12) . . ?
C14 C19 C20 122.9(12) . . ?
C19 C14 N1 117.6(11) . . ?
C15 C14 C19 120.0 . . ?
C15 C14 N1 122.2(11) . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
C75 O7 Dy1 135.1(13) . . ?
C13 N1 C14 124.1(19) . . ?
C42 C43 C44 119.0(16) . . ?
C70 C69 C68 126.4(18) . . ?
N4 C44 C43 123.4(15) . . ?
N1 C13 C10 125(2) . . ?
O6 C73 C74 123.6(19) . . ?
O6 C73 C72 118(2) . . ?
C74 C73 C72 118(2) . . ?
C43 C42 C41 120.4(14) . . ?
C21 C20 C19 118.8(17) . . ?
O3 C61 C60 122.0(8) . . ?
O3 C61 C62 118.0(8) . . ?
C60 C61 C62 120.0 . . ?
C59 C60 C61 120.0 . . ?
C58 C59 C60 120.0 . . ?
C59 C58 C63 120.0 . . ?
C59 C58 N5 122.7(11) . . ?
C63 C58 N5 117.3(11) . . ?
C58 C63 C64 125.0(12) . . ?
C62 C63 C58 120.0 . . ?
C62 C63 C64 114.8(12) . . ?
C61 C62 N6 117.4(8) . . ?
C63 C62 N6 122.5(8) . . ?
C63 C62 C61 120.0 . . ?
N2 C22 C21 132(2) . . ?
O7 C75 C74 124(2) . . ?
O7 C75 C76 113(2) . . ?
C74 C75 C76 123(2) . . ?
O4 C68 C69 123.3(18) . . ?
O4 C68 C67 116.4(19) . . ?
C69 C68 C67 120.2(19) . . ?
C22 C21 C20 116.7(19) . . ?
N6 C66 C65 124(2) . . ?
C57 N5 C58 119.3(17) . . ?
C65 C64 C63 122.0(18) . . ?
C7 C12 C11 120.0 . . ?
C12 C7 C4 118.3(17) . . ?
C8 C7 C12 120.0 . . ?
C8 C7 C4 121.5(17) . . ?
C7 C8 C9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C9 C10 C13 120.1(16) . . ?
C9 C10 C11 120.0 . . ?
C11 C10 C13 119.8(16) . . ?
C10 C11 C12 120.0 . . ?
C64 C65 C66 119.0(18) . . ?
N5 C57 C54 122(2) . . ?
C6 C5 C4 120.0 . . ?
C5 C6 C1 120.0 . . ?
C2 C1 C6 120.0 . . ?
C1 C2 C3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C7 119(2) . . ?
C3 C4 C7 121(2) . . ?
C3 C4 C5 120.0 . . ?
C75 C74 C73 125(2) . . ?
C27 C26 C25 120.0 . . ?
C27 C26 C29 115.1(18) . . ?
C25 C26 C29 124.9(18) . . ?
C26 C27 C28 120.0 . . ?
C23 C28 C27 120.0 . . ?
C28 C23 C24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C24 C25 C26 120.0 . . ?
C53 C54 C57 119.0(14) . . ?
C53 C54 C55 120.0 . . ?
C55 C54 C57 120.8(14) . . ?
C52 C53 C54 120.0 . . ?
C51 C52 C53 120.0 . . ?
C52 C51 C56 120.0 . . ?
C52 C51 C48 119.5(15) . . ?
C56 C51 C48 120.5(15) . . ?
C55 C56 C51 120.0 . . ?
C56 C55 C54 120.0 . . ?
N3 C35 C32 127(3) . . ?
C31 C32 C35 119(2) . . ?
C31 C32 C33 120.0 . . ?
C33 C32 C35 119.9(19) . . ?
C30 C31 C32 120.0 . . ?
C29 C30 C31 120.0 . . ?
C30 C29 C26 117.6(18) . . ?
C30 C29 C34 120.0 . . ?
C34 C29 C26 122.4(18) . . ?
C29 C34 C33 120.0 . . ?
C34 C33 C32 120.0 . . ?
C48A C48 C51 119(3) . . ?
C48A C48 C47A 114(4) . . ?
C47B C48 C51 111(3) . . ?
C48B C48 C51 120(3) . . ?
C48B C48 C47B 129(3) . . ?
C47A C48 C51 122(3) . . ?
C48 C48A C49A 128(5) . . ?
C45 C49B C48B 124(5) . . ?
C46B C47B C48 112(4) . . ?
C49B C45 C46B 124(4) . . ?
C46A C45 C49A 126(4) . . ?
C47B C46B C45 114(4) . . ?
C48 C48B C49B 116(4) . . ?
C45 C46A C47A 119(5) . . ?
C48 C47A C46A 119(5) . . ?
C45 C49A C48A 104(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 O2 C39 C40 -31.4(11) . . . . ?
Dy1 O2 C39 C38 157.8(6) . . . . ?
Dy1 O1 C17 C18 -165.8(8) . . . . ?
Dy1 O1 C17 C16 9.3(17) . . . . ?
Dy1 N4 C40 C39 11.6(11) . . . . ?
Dy1 N4 C40 C41 -166.1(6) . . . . ?
Dy1 N4 C44 C43 167.9(13) . . . . ?
Dy1 O6 C73 C74 12(3) . . . . ?
Dy1 O6 C73 C72 -168.0(15) . . . . ?
Dy1 O3 C61 C60 -11.1(18) . . . . ?
Dy1 O3 C61 C62 170.0(9) . . . . ?
Dy1 O7 C75 C74 -16(3) . . . . ?
Dy1 O7 C75 C76 162.7(17) . . . . ?
Dy2 O2 C39 C40 117.2(8) 3_766 . . . ?
Dy2 O2 C39 C38 -53.6(13) 3_766 . . . ?
Dy2 O5 C70 C69 -7(3) . . . . ?
Dy2 O5 C70 C71 174.8(13) . . . . ?
Dy2 O1 C17 C18 0.4(13) . . . . ?
Dy2 O1 C17 C16 175.5(6) . . . . ?
Dy2 O4 C68 C69 -11(3) . . . . ?
Dy2 O4 C68 C67 164.8(14) . . . . ?
Dy2 O3 C61 C60 156.8(6) . . . . ?
Dy2 O3 C61 C62 -22.2(11) . . . . ?
Dy2 N2 C18 C17 -1.5(13) . . . . ?
Dy2 N2 C18 C19 -175.8(6) . . . . ?
Dy2 N2 C22 C21 -172(2) . . . . ?
Dy2 N6 C62 C61 16.8(13) . . . . ?
Dy2 N6 C62 C63 -159.8(6) . . . . ?
Dy2 N6 C66 C65 165.5(18) . . . . ?
O2 C39 C40 N4 11.3(12) . . . . ?
O2 C39 C40 C41 -170.9(11) . . . . ?
O2 C39 C38 C37 170.6(12) . . . . ?
O5 C70 C69 C68 3(4) . . . . ?
O1 C17 C18 N2 0.8(13) . . . . ?
O1 C17 C18 C19 175.2(12) . . . . ?
O1 C17 C16 C15 -175.0(12) . . . . ?
N4 C40 C41 C36 177.7(13) . . . . ?
N4 C40 C41 C42 -4.1(15) . . . . ?
O6 C73 C74 C75 2(4) . . . . ?
O3 C61 C60 C59 -178.9(11) . . . . ?
O3 C61 C62 N6 2.3(13) . . . . ?
O3 C61 C62 C63 179.0(11) . . . . ?
N3 C36 C37 C38 -171.4(16) . . . . ?
N3 C35 C32 C31 -13(4) . . . . ?
N3 C35 C32 C33 176(2) . . . . ?
C70 C69 C68 O4 6(3) . . . . ?
C70 C69 C68 C67 -170(2) . . . . ?
N2 C18 C19 C14 174.2(13) . . . . ?
N2 C18 C19 C20 -10.7(16) . . . . ?
N2 C22 C21 C20 -11(4) . . . . ?
N6 C66 C65 C64 -8(4) . . . . ?
C39 C40 C41 C36 0.0 . . . . ?
C39 C40 C41 C42 178.2(14) . . . . ?
C40 N4 C44 C43 3(2) . . . . ?
C40 C39 C38 C37 0.0 . . . . ?
C40 C41 C36 N3 171.9(14) . . . . ?
C40 C41 C36 C37 0.0 . . . . ?
C40 C41 C42 C43 3(2) . . . . ?
C41 C36 C37 C38 0.0 . . . . ?
C36 N3 C35 C32 177.9(19) . . . . ?
C36 C41 C42 C43 -178.9(14) . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C38 C39 C40 N4 -177.8(12) . . . . ?
C38 C39 C40 C41 0.0 . . . . ?
C17 C18 C19 C14 0.0 . . . . ?
C17 C18 C19 C20 175.1(14) . . . . ?
C18 N2 C22 C21 3(4) . . . . ?
C18 C17 C16 C15 0.0 . . . . ?
C18 C19 C14 C15 0.0 . . . . ?
C18 C19 C14 N1 -175.0(15) . . . . ?
C18 C19 C20 C21 2(3) . . . . ?
C19 C14 C15 C16 0.0 . . . . ?
C19 C14 N1 C13 163(2) . . . . ?
C19 C20 C21 C22 8(3) . . . . ?
C14 C19 C20 C21 177.0(16) . . . . ?
C14 C15 C16 C17 0.0 . . . . ?
C14 N1 C13 C10 179.8(18) . . . . ?
C15 C14 N1 C13 -12(3) . . . . ?
C16 C17 C18 N2 -174.4(12) . . . . ?
C16 C17 C18 C19 0.0 . . . . ?
O7 C75 C74 C73 0(4) . . . . ?
N1 C14 C15 C16 174.8(16) . . . . ?
N1 C13 C10 C9 -171(2) . . . . ?
N1 C13 C10 C11 11(3) . . . . ?
C44 N4 C40 C39 179.3(12) . . . . ?
C44 N4 C40 C41 1.5(18) . . . . ?
C44 C43 C42 C41 1(3) . . . . ?
C13 C10 C11 C12 178.0(18) . . . . ?
C42 C41 C36 N3 -6.1(17) . . . . ?
C42 C41 C36 C37 -178.1(15) . . . . ?
C42 C43 C44 N4 -4(3) . . . . ?
C20 C19 C14 C15 -174.8(15) . . . . ?
C20 C19 C14 N1 10.2(18) . . . . ?
C61 C60 C59 C58 0.0 . . . . ?
C60 C61 C62 N6 -176.7(12) . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C60 C59 C58 C63 0.0 . . . . ?
C60 C59 C58 N5 -179.7(15) . . . . ?
C59 C58 C63 C62 0.0 . . . . ?
C59 C58 C63 C64 -175.2(18) . . . . ?
C59 C58 N5 C57 -32(3) . . . . ?
C58 C63 C62 N6 176.5(13) . . . . ?
C58 C63 C62 C61 0.0 . . . . ?
C58 C63 C64 C65 178(2) . . . . ?
C58 N5 C57 C54 178.7(18) . . . . ?
C63 C58 N5 C57 148(2) . . . . ?
C63 C64 C65 C66 5(4) . . . . ?
C62 N6 C66 C65 3(3) . . . . ?
C62 C61 C60 C59 0.0 . . . . ?
C62 C63 C64 C65 3(3) . . . . ?
C22 N2 C18 C17 -177.1(15) . . . . ?
C22 N2 C18 C19 9(2) . . . . ?
C66 N6 C62 C61 -178.3(15) . . . . ?
C66 N6 C62 C63 5(2) . . . . ?
N5 C58 C63 C62 179.7(14) . . . . ?
N5 C58 C63 C64 4.5(19) . . . . ?
N5 C57 C54 C53 -8(3) . . . . ?
N5 C57 C54 C55 177(2) . . . . ?
C64 C63 C62 N6 -7.9(17) . . . . ?
C64 C63 C62 C61 175.7(16) . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C12 C7 C4 C5 -43.5(18) . . . . ?
C12 C7 C4 C3 136.5(13) . . . . ?
C7 C12 C11 C10 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C4 C5 141.8(12) . . . . ?
C8 C7 C4 C3 -38(2) . . . . ?
C8 C9 C10 C13 -178.0(18) . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C11 C12 C7 C8 0.0 . . . . ?
C11 C12 C7 C4 -174.7(18) . . . . ?
C57 C54 C53 C52 -174.7(17) . . . . ?
C57 C54 C55 C56 174.6(17) . . . . ?
C71 C70 C69 C68 -179(2) . . . . ?
C5 C6 C1 C2 0.0 . . . . ?
C6 C5 C4 C7 -180(2) . . . . ?
C6 C5 C4 C3 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C3 C4 C7 180(2) . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C4 C7 C8 C9 174.6(19) . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C26 C27 C28 C23 0.0 . . . . ?
C26 C29 C34 C33 -178.3(19) . . . . ?
C27 C26 C25 C24 0.0 . . . . ?
C27 C26 C29 C30 135.3(10) . . . . ?
C27 C26 C29 C34 -46.4(17) . . . . ?
C27 C28 C23 C24 0.0 . . . . ?
C28 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C25 C26 C27 C28 0.0 . . . . ?
C25 C26 C29 C30 -44.9(18) . . . . ?
C25 C26 C29 C34 133.4(12) . . . . ?
C72 C73 C74 C75 -178(2) . . . . ?
C54 C53 C52 C51 0.0 . . . . ?
C53 C54 C55 C56 0.0 . . . . ?
C53 C52 C51 C56 0.0 . . . . ?
C53 C52 C51 C48 -178.9(18) . . . . ?
C52 C51 C56 C55 0.0 . . . . ?
C52 C51 C48 C48A 16(4) . . . . ?
C52 C51 C48 C47B 151(2) . . . . ?
C52 C51 C48 C48B -36(4) . . . . ?
C52 C51 C48 C47A -138(3) . . . . ?
C51 C56 C55 C54 0.0 . . . . ?
C51 C48 C48A C49A 180(4) . . . . ?
C51 C48 C47B C46B -174(3) . . . . ?
C51 C48 C48B C49B 173(3) . . . . ?
C51 C48 C47A C46A -175(4) . . . . ?
C56 C51 C48 C48A -163(3) . . . . ?
C56 C51 C48 C47B -28(3) . . . . ?
C56 C51 C48 C48B 145(3) . . . . ?
C56 C51 C48 C47A 43(4) . . . . ?
C55 C54 C53 C52 0.0 . . . . ?
C35 N3 C36 C41 165(2) . . . . ?
C35 N3 C36 C37 -24(3) . . . . ?
C35 C32 C31 C30 -170.3(19) . . . . ?
C35 C32 C33 C34 170.2(19) . . . . ?
C76 C75 C74 C73 -178(3) . . . . ?
C32 C31 C30 C29 0.0 . . . . ?
C31 C32 C33 C34 0.0 . . . . ?
C31 C30 C29 C26 178.4(18) . . . . ?
C31 C30 C29 C34 0.0 . . . . ?
C30 C29 C34 C33 0.0 . . . . ?
C29 C26 C27 C28 179.8(17) . . . . ?
C29 C26 C25 C24 -179.8(19) . . . . ?
C29 C34 C33 C32 0.0 . . . . ?
C33 C32 C31 C30 0.0 . . . . ?
C48 C51 C56 C55 178.9(18) . . . . ?
C48 C48A C49A C45 -3(8) . . . . ?
C48 C47B C46B C45 -5(5) . . . . ?
C48A C48 C47A C46A 30(7) . . . . ?
C49B C45 C46B C47B 2(6) . . . . ?
C47B C48 C48B C49B -15(7) . . . . ?
C45 C49B C48B C48 10(8) . . . . ?
C45 C46A C47A C48 -7(8) . . . . ?
C48B C48 C47B C46B 13(6) . . . . ?
C48B C49B C45 C46B -4(8) . . . . ?
C46A C45 C49A C48A 30(7) . . . . ?
C47A C48 C48A C49A -24(8) . . . . ?
C49A C45 C46A C47A -27(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
