# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_cp128e
_database_code_depnum_ccdc_archive 'CCDC 1021513'
_audit_update_record             
;
2014-08-27 deposited with the CCDC.
2015-10-14 downloaded from the CCDC.
;
_audit_creation_date             2014-07-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2014.07.22 svn.r2960 for OlexSys, GUI svn.r4862)
;
_shelxl_version_number           2014-1
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C42 H45 Eu N12 O6 Zn, 2(Cl O4), 2(H2 O)'
_chemical_formula_sum            'C42 H49 Cl2 Eu N12 O16 Zn'
_chemical_formula_weight         1266.16
_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'
Cl Cl 0.1484 0.1585 '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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   13.8641(15)
_cell_length_b                   14.5627(19)
_cell_length_c                   15.190(2)
_cell_angle_alpha                96.519(11)
_cell_angle_beta                 113.081(10)
_cell_angle_gamma                109.850(9)
_cell_volume                     2543.6(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    9267
_cell_measurement_theta_min      1.52
_cell_measurement_theta_max      22.57
_shelx_estimated_absorpt_T_max   0.929
_shelx_estimated_absorpt_T_min   0.834
_exptl_absorpt_coefficient_mu    1.878
_exptl_absorpt_correction_T_max  0.9287
_exptl_absorpt_correction_T_min  0.8344
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XPREP in SHELXTL 6.14 (BrukerAXS Inc., 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1280
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0919
_diffrn_reflns_av_unetI/netI     0.1758
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17067
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.756
_diffrn_reflns_theta_min         1.520
_diffrn_ambient_temperature      180(2)
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate ( 34 cm diameter )'
_diffrn_detector_type            STOE
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.982
_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                4678
_reflns_number_total             10653
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    ?
_refine_diff_density_max         0.794
_refine_diff_density_min         -1.343
_refine_diff_density_rms         0.100
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.828
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     674
_refine_ls_number_reflns         10653
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1485
_refine_ls_R_factor_gt           0.0606
_refine_ls_restrained_S_all      0.828
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0464P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1448
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups, All O(H,H) groups
2.a Free rotating group:
 O15(H15D,H15E), O16(H16A,H16B)
2.b Me refined with riding coordinates:
 C2(H2A,H2B,H2C), C15(H15A,H15B,H15C), C22(H22A,H22B,H22C), C29(H29A,H29B,
 H29C), C36(H36A,H36B,H36C)
2.c Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C11(H11), C12(H12), C13(H13), C14(H14),
 C18(H18), C19(H19), C20(H20), C21(H21), C25(H25), C26(H26), C27(H27), C28(H28),
  C32(H32), C33(H33), C34(H34), C35(H35), C39(H39), C40(H40), C41(H41), C42(H42)
2.d Tetrahedral OH refined with riding coordinates:
 O1(H1), O2(H2), O3(H3)
2.e Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C)
;
_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 0.43181(4) 0.20725(3) 0.24505(4) 0.05329(15) Uani 1 1 d . . . . .
Zn1 Zn 0.69279(9) 0.32474(7) 0.52556(8) 0.0567(3) Uani 1 1 d . . . . .
O1 O 0.4253(6) -0.0002(5) 0.3457(5) 0.0780(19) Uani 1 1 d . . . . .
H1 H 0.4334 0.0499 0.3859 0.117 Uiso 1 1 calc R . . . .
O2 O 0.6678(5) 0.2990(5) 0.1970(5) 0.0713(18) Uani 1 1 d . . . . .
H2 H 0.6805 0.2705 0.2427 0.107 Uiso 1 1 calc R . . . .
O3 O 0.3797(6) 0.3949(4) 0.3598(5) 0.0717(18) Uani 1 1 d . . . . .
H3 H 0.4493 0.4165 0.3718 0.108 Uiso 1 1 calc R . . . .
O4 O 0.6155(5) 0.2054(4) 0.3096(4) 0.0546(14) Uani 1 1 d . . . . .
O5 O 0.5480(5) 0.3779(4) 0.3424(4) 0.0630(16) Uani 1 1 d . . . . .
O6 O 0.4374(5) 0.1788(4) 0.3934(5) 0.0602(15) Uani 1 1 d . . . . .
N1 N 0.4087(7) 0.0207(5) 0.2549(6) 0.0603(19) Uani 1 1 d . . . . .
N2 N 0.3768(6) 0.0614(5) 0.0822(5) 0.0533(17) Uani 1 1 d . . . . .
N3 N 0.5559(7) 0.2923(5) 0.1604(6) 0.065(2) Uani 1 1 d . . . . .
N4 N 0.3516(7) 0.2876(5) 0.0983(5) 0.0558(18) Uani 1 1 d . . . . .
N5 N 0.3181(7) 0.2948(5) 0.2951(6) 0.062(2) Uani 1 1 d . . . . .
N6 N 0.2080(6) 0.1055(5) 0.1833(5) 0.0567(18) Uani 1 1 d . . . . .
N7 N 0.6753(6) 0.2133(5) 0.4092(5) 0.0543(18) Uani 1 1 d . . . . .
N8 N 0.7713(7) 0.2308(5) 0.5986(6) 0.0601(19) Uani 1 1 d . . . . .
N9 N 0.6550(7) 0.4088(5) 0.4188(6) 0.0595(19) Uani 1 1 d . . . . .
N10 N 0.8569(6) 0.4515(5) 0.5676(6) 0.0587(18) Uani 1 1 d . . . . .
N11 N 0.5160(7) 0.2489(6) 0.4848(6) 0.0611(19) Uani 1 1 d . . . . .
N12 N 0.6752(7) 0.3861(6) 0.6545(6) 0.0603(19) Uani 1 1 d . . . . .
C1 C 0.4066(8) -0.0463(7) 0.1901(7) 0.062(2) Uani 1 1 d . . . . .
C2 C 0.4194(9) -0.1412(7) 0.2126(8) 0.074(3) Uani 1 1 d . . . . .
H2A H 0.4353 -0.1379 0.2820 0.111 Uiso 1 1 calc R . . . .
H2B H 0.4834 -0.1460 0.2028 0.111 Uiso 1 1 calc R . . . .
H2C H 0.3477 -0.2013 0.1678 0.111 Uiso 1 1 calc R . . . .
C3 C 0.3859(8) -0.0271(7) 0.0950(7) 0.060(2) Uani 1 1 d . . . . .
C4 C 0.3681(9) -0.0979(7) 0.0151(8) 0.066(3) Uani 1 1 d . . . . .
H4 H 0.3755 -0.1590 0.0248 0.079 Uiso 1 1 calc R . . . .
C5 C 0.3400(10) -0.0834(8) -0.0780(9) 0.080(3) Uani 1 1 d . . . . .
H5 H 0.3276 -0.1331 -0.1323 0.096 Uiso 1 1 calc R . . . .
C6 C 0.3307(9) 0.0060(8) -0.0895(8) 0.076(3) Uani 1 1 d . . . . .
H6 H 0.3132 0.0206 -0.1518 0.091 Uiso 1 1 calc R . . . .
C7 C 0.3472(8) 0.0734(7) -0.0085(8) 0.067(3) Uani 1 1 d . . . . .
H7 H 0.3366 0.1332 -0.0181 0.080 Uiso 1 1 calc R . . . .
C8 C 0.6019(11) 0.3709(9) 0.0369(9) 0.092(4) Uani 1 1 d . . . . .
H8A H 0.6367 0.3246 0.0279 0.138 Uiso 1 1 calc GR . . . .
H8B H 0.6630 0.4381 0.0799 0.138 Uiso 1 1 calc GR . . . .
H8C H 0.5553 0.3769 -0.0282 0.138 Uiso 1 1 calc GR . . . .
C9 C 0.5266(9) 0.3298(6) 0.0845(7) 0.064(3) Uani 1 1 d . . . . .
C10 C 0.4094(8) 0.3239(6) 0.0453(7) 0.057(2) Uani 1 1 d . . . . .
C11 C 0.3624(8) 0.3557(7) -0.0354(7) 0.065(2) Uani 1 1 d . . . . .
H11 H 0.4068 0.3831 -0.0680 0.078 Uiso 1 1 calc R . . . .
C12 C 0.2511(9) 0.3491(7) -0.0709(8) 0.069(3) Uani 1 1 d . . . . .
H12 H 0.2173 0.3690 -0.1287 0.082 Uiso 1 1 calc R . . . .
C13 C 0.1926(9) 0.3132(6) -0.0203(7) 0.066(3) Uani 1 1 d . . . . .
H13 H 0.1170 0.3100 -0.0411 0.079 Uiso 1 1 calc R . . . .
C14 C 0.2413(9) 0.2811(6) 0.0617(7) 0.061(2) Uani 1 1 d . . . . .
H14 H 0.1966 0.2535 0.0940 0.074 Uiso 1 1 calc R . . . .
C15 C 0.1606(8) 0.3000(7) 0.3313(7) 0.070(3) Uani 1 1 d . . . . .
H15A H 0.2154 0.3707 0.3694 0.106 Uiso 1 1 calc R . . . .
H15B H 0.1422 0.2624 0.3764 0.106 Uiso 1 1 calc R . . . .
H15C H 0.0897 0.2988 0.2798 0.106 Uiso 1 1 calc R . . . .
C16 C 0.2138(9) 0.2507(7) 0.2824(7) 0.063(2) Uani 1 1 d . . . . .
C17 C 0.1481(8) 0.1446(7) 0.2175(7) 0.060(2) Uani 1 1 d . . . . .
C18 C 0.0345(9) 0.0917(8) 0.1927(8) 0.071(3) Uani 1 1 d . . . . .
H18 H -0.0033 0.1213 0.2191 0.085 Uiso 1 1 calc R . . . .
C19 C -0.0243(10) -0.0057(9) 0.1287(9) 0.082(3) Uani 1 1 d . . . . .
H19 H -0.1041 -0.0433 0.1084 0.099 Uiso 1 1 calc R . . . .
C20 C 0.0353(8) -0.0482(7) 0.0940(7) 0.063(2) Uani 1 1 d . . . . .
H20 H -0.0023 -0.1159 0.0516 0.076 Uiso 1 1 calc R . . . .
C21 C 0.1483(9) 0.0099(8) 0.1226(7) 0.065(3) Uani 1 1 d . . . . .
H21 H 0.1879 -0.0191 0.0979 0.078 Uiso 1 1 calc R . . . .
C22 C 0.7173(10) 0.0714(7) 0.3529(7) 0.079(3) Uani 1 1 d . . . . .
H22A H 0.6743 0.0745 0.2853 0.118 Uiso 1 1 calc R . . . .
H22B H 0.6796 0.0036 0.3587 0.118 Uiso 1 1 calc R . . . .
H22C H 0.7966 0.0846 0.3662 0.118 Uiso 1 1 calc R . . . .
C23 C 0.7195(7) 0.1519(7) 0.4289(6) 0.055(2) Uani 1 1 d . . . . .
C24 C 0.7803(8) 0.1618(7) 0.5378(6) 0.057(2) Uani 1 1 d . . . . .
C25 C 0.8358(10) 0.1021(8) 0.5726(8) 0.078(3) Uani 1 1 d . . . . .
H25 H 0.8404 0.0548 0.5276 0.094 Uiso 1 1 calc R . . . .
C26 C 0.8850(11) 0.1106(9) 0.6731(9) 0.091(4) Uani 1 1 d . . . . .
H26 H 0.9231 0.0691 0.6987 0.110 Uiso 1 1 calc R . . . .
C27 C 0.8772(11) 0.1822(8) 0.7363(9) 0.088(3) Uani 1 1 d . . . . .
H27 H 0.9127 0.1924 0.8064 0.106 Uiso 1 1 calc R . . . .
C28 C 0.8177(9) 0.2375(7) 0.6959(8) 0.074(3) Uani 1 1 d . . . . .
H28 H 0.8090 0.2829 0.7392 0.089 Uiso 1 1 calc R . . . .
C29 C 0.7212(10) 0.5431(7) 0.3456(8) 0.083(3) Uani 1 1 d . . . . .
H29A H 0.6396 0.5130 0.2960 0.124 Uiso 1 1 calc R . . . .
H29B H 0.7682 0.5380 0.3127 0.124 Uiso 1 1 calc R . . . .
H29C H 0.7450 0.6150 0.3772 0.124 Uiso 1 1 calc R . . . .
C30 C 0.7378(8) 0.4870(6) 0.4240(7) 0.058(2) Uani 1 1 d . . . . .
C31 C 0.8510(8) 0.5139(6) 0.5079(8) 0.063(2) Uani 1 1 d . . . . .
C32 C 0.9466(9) 0.6019(7) 0.5287(8) 0.068(3) Uani 1 1 d . . . . .
H32 H 0.9413 0.6449 0.4861 0.082 Uiso 1 1 calc R . . . .
C33 C 1.0512(9) 0.6266(8) 0.6137(8) 0.076(3) Uani 1 1 d . . . . .
H33 H 1.1176 0.6869 0.6301 0.091 Uiso 1 1 calc R . . . .
C34 C 1.0553(9) 0.5619(7) 0.6724(8) 0.070(3) Uani 1 1 d . . . . .
H34 H 1.1246 0.5768 0.7307 0.084 Uiso 1 1 calc R . . . .
C35 C 0.9570(9) 0.4745(7) 0.6456(8) 0.068(3) Uani 1 1 d . . . . .
H35 H 0.9616 0.4286 0.6852 0.082 Uiso 1 1 calc R . . . .
C36 C 0.3563(9) 0.2159(9) 0.5253(8) 0.086(3) Uani 1 1 d . . . . .
H36A H 0.3104 0.1699 0.4572 0.129 Uiso 1 1 calc R . . . .
H36B H 0.3277 0.2680 0.5315 0.129 Uiso 1 1 calc R . . . .
H36C H 0.3497 0.1770 0.5728 0.129 Uiso 1 1 calc R . . . .
C37 C 0.4769(9) 0.2647(7) 0.5467(7) 0.064(2) Uani 1 1 d . . . . .
C38 C 0.5682(9) 0.3440(7) 0.6447(7) 0.063(3) Uani 1 1 d . . . . .
C39 C 0.5405(10) 0.3697(8) 0.7206(8) 0.073(3) Uani 1 1 d . . . . .
H39 H 0.4635 0.3399 0.7114 0.088 Uiso 1 1 calc R . . . .
C40 C 0.6284(10) 0.4393(8) 0.8082(7) 0.073(3) Uani 1 1 d . . . . .
H40 H 0.6129 0.4582 0.8614 0.087 Uiso 1 1 calc R . . . .
C41 C 0.7375(10) 0.4815(8) 0.8197(8) 0.077(3) Uani 1 1 d . . . . .
H41 H 0.7987 0.5283 0.8815 0.092 Uiso 1 1 calc R . . . .
C42 C 0.7595(9) 0.4557(7) 0.7406(7) 0.068(3) Uani 1 1 d . . . . .
H42 H 0.8354 0.4880 0.7478 0.082 Uiso 1 1 calc R . . . .
Cl1 Cl 0.7888(3) 0.8409(2) 0.2915(3) 0.0933(9) Uani 1 1 d . . . . .
O7 O 0.8348(8) 0.8886(8) 0.2339(8) 0.139(4) Uani 1 1 d . . . . .
O8 O 0.8073(13) 0.7542(7) 0.2995(8) 0.174(5) Uani 1 1 d . . . . .
O9 O 0.6697(9) 0.8148(8) 0.2442(8) 0.150(4) Uani 1 1 d . . . . .
O10 O 0.8419(8) 0.9088(7) 0.3916(7) 0.117(3) Uani 1 1 d . . . . .
Cl2 Cl 0.0808(3) 0.7028(2) 0.9720(2) 0.0828(8) Uani 1 1 d . . . . .
O11 O 0.1459(9) 0.6796(7) 0.9313(9) 0.156(4) Uani 1 1 d . . . . .
O12 O 0.1401(10) 0.7963(8) 1.0374(11) 0.196(6) Uani 1 1 d . . . . .
O13 O -0.0235(10) 0.6955(13) 0.9029(9) 0.208(6) Uani 1 1 d . . . . .
O14 O 0.0532(13) 0.6341(11) 1.0234(11) 0.203(6) Uani 1 1 d . . . . .
O15 O 1.0671(10) 0.4580(7) 0.8725(7) 0.113(3) Uani 1 1 d . . . . .
H15D H 1.1245 0.5123 0.9184 0.169 Uiso 1 1 d G . . . .
H15E H 1.0154 0.4332 0.8926 0.169 Uiso 1 1 d G . . . .
O16 O 0.9822(11) 0.8800(9) 0.5799(8) 0.152(4) Uani 1 1 d . . . . .
H16A H 1.0022 0.9450 0.5879 0.228 Uiso 1 1 d G . . . .
H16B H 0.9399 0.8474 0.5167 0.228 Uiso 1 1 d G . . . .


_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 O4 2.354(6) . ?
Eu1 O5 2.353(6) . ?
Eu1 O6 2.313(6) . ?
Eu1 N1 2.654(7) . ?
Eu1 N2 2.728(7) . ?
Eu1 N3 2.607(8) . ?
Eu1 N4 2.666(7) . ?
Eu1 N5 2.603(8) . ?
Eu1 N6 2.642(7) . ?
Zn1 N7 2.136(7) . ?
Zn1 N8 2.167(7) . ?
Zn1 N9 2.150(7) . ?
Zn1 N10 2.175(7) . ?
Zn1 N11 2.104(8) . ?
Zn1 N12 2.196(7) . ?
O1 H1 0.8400 . ?
O1 N1 1.394(9) . ?
O2 H2 0.8400 . ?
O2 N3 1.392(9) . ?
O3 H3 0.8400 . ?
O3 N5 1.410(9) . ?
O4 N7 1.379(8) . ?
O5 N9 1.352(9) . ?
O6 N11 1.376(9) . ?
N1 C1 1.290(11) . ?
N2 C3 1.364(10) . ?
N2 C7 1.325(11) . ?
N3 C9 1.311(11) . ?
N4 C10 1.373(11) . ?
N4 C14 1.371(11) . ?
N5 C16 1.290(11) . ?
N6 C17 1.370(11) . ?
N6 C21 1.342(11) . ?
N7 C23 1.246(10) . ?
N8 C24 1.357(11) . ?
N8 C28 1.337(11) . ?
N9 C30 1.281(10) . ?
N10 C31 1.354(11) . ?
N10 C35 1.322(12) . ?
N11 C37 1.290(11) . ?
N12 C38 1.336(12) . ?
N12 C42 1.341(11) . ?
C1 C2 1.512(12) . ?
C1 C3 1.439(12) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 C4 1.381(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.374(13) . ?
C5 H5 0.9500 . ?
C5 C6 1.374(13) . ?
C6 H6 0.9500 . ?
C6 C7 1.372(13) . ?
C7 H7 0.9500 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C8 C9 1.494(14) . ?
C9 C10 1.462(13) . ?
C10 C11 1.360(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.383(13) . ?
C12 H12 0.9500 . ?
C12 C13 1.347(13) . ?
C13 H13 0.9500 . ?
C13 C14 1.383(12) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C15 C16 1.509(12) . ?
C16 C17 1.477(12) . ?
C17 C18 1.364(13) . ?
C18 H18 0.9500 . ?
C18 C19 1.378(14) . ?
C19 H19 0.9500 . ?
C19 C20 1.400(14) . ?
C20 H20 0.9500 . ?
C20 C21 1.357(13) . ?
C21 H21 0.9500 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C22 C23 1.533(12) . ?
C23 C24 1.495(12) . ?
C24 C25 1.368(12) . ?
C25 H25 0.9500 . ?
C25 C26 1.376(14) . ?
C26 H26 0.9500 . ?
C26 C27 1.397(15) . ?
C27 H27 0.9500 . ?
C27 C28 1.368(14) . ?
C28 H28 0.9500 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C29 C30 1.508(12) . ?
C30 C31 1.464(13) . ?
C31 C32 1.387(12) . ?
C32 H32 0.9500 . ?
C32 C33 1.405(14) . ?
C33 H33 0.9500 . ?
C33 C34 1.369(13) . ?
C34 H34 0.9500 . ?
C34 C35 1.383(13) . ?
C35 H35 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C36 C37 1.457(13) . ?
C37 C38 1.513(13) . ?
C38 C39 1.402(13) . ?
C39 H39 0.9500 . ?
C39 C40 1.366(13) . ?
C40 H40 0.9500 . ?
C40 C41 1.353(14) . ?
C41 H41 0.9500 . ?
C41 C42 1.393(13) . ?
C42 H42 0.9500 . ?
Cl1 O7 1.389(7) . ?
Cl1 O8 1.380(9) . ?
Cl1 O9 1.404(10) . ?
Cl1 O10 1.455(9) . ?
Cl2 O11 1.381(9) . ?
Cl2 O12 1.345(9) . ?
Cl2 O13 1.372(11) . ?
Cl2 O14 1.382(11) . ?
O15 H15D 0.8700 . ?
O15 H15E 0.8699 . ?
O16 H16A 0.8699 . ?
O16 H16B 0.8699 . ?

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
O4 Eu1 N1 71.1(2) . . ?
O4 Eu1 N2 85.4(2) . . ?
O4 Eu1 N3 65.8(2) . . ?
O4 Eu1 N4 124.5(2) . . ?
O4 Eu1 N5 140.3(2) . . ?
O4 Eu1 N6 147.3(2) . . ?
O5 Eu1 O4 79.8(2) . . ?
O5 Eu1 N1 140.0(2) . . ?
O5 Eu1 N2 145.7(2) . . ?
O5 Eu1 N3 73.1(2) . . ?
O5 Eu1 N4 84.5(2) . . ?
O5 Eu1 N5 67.0(2) . . ?
O5 Eu1 N6 126.9(2) . . ?
O6 Eu1 O4 84.20(19) . . ?
O6 Eu1 O5 84.1(2) . . ?
O6 Eu1 N1 66.5(2) . . ?
O6 Eu1 N2 125.1(2) . . ?
O6 Eu1 N3 144.8(2) . . ?
O6 Eu1 N4 146.4(2) . . ?
O6 Eu1 N5 71.8(2) . . ?
O6 Eu1 N6 80.9(2) . . ?
N1 Eu1 N2 59.1(2) . . ?
N1 Eu1 N4 134.7(2) . . ?
N3 Eu1 N1 116.3(2) . . ?
N3 Eu1 N2 72.6(2) . . ?
N3 Eu1 N4 58.6(2) . . ?
N3 Eu1 N6 134.3(2) . . ?
N4 Eu1 N2 78.7(2) . . ?
N5 Eu1 N1 123.0(2) . . ?
N5 Eu1 N2 134.3(2) . . ?
N5 Eu1 N3 120.2(2) . . ?
N5 Eu1 N4 74.7(2) . . ?
N5 Eu1 N6 59.9(2) . . ?
N6 Eu1 N1 76.3(2) . . ?
N6 Eu1 N2 79.8(2) . . ?
N6 Eu1 N4 80.9(2) . . ?
N7 Zn1 N8 74.1(3) . . ?
N7 Zn1 N9 86.9(3) . . ?
N7 Zn1 N10 104.3(3) . . ?
N7 Zn1 N12 158.3(3) . . ?
N8 Zn1 N10 94.4(3) . . ?
N8 Zn1 N12 93.6(3) . . ?
N9 Zn1 N8 155.1(3) . . ?
N9 Zn1 N10 74.6(3) . . ?
N9 Zn1 N12 109.2(3) . . ?
N10 Zn1 N12 94.2(3) . . ?
N11 Zn1 N7 90.7(3) . . ?
N11 Zn1 N8 105.3(3) . . ?
N11 Zn1 N9 90.6(3) . . ?
N11 Zn1 N10 158.0(3) . . ?
N11 Zn1 N12 75.2(3) . . ?
N1 O1 H1 109.5 . . ?
N3 O2 H2 109.5 . . ?
N5 O3 H3 109.5 . . ?
N7 O4 Eu1 120.8(4) . . ?
N9 O5 Eu1 123.0(4) . . ?
N11 O6 Eu1 122.6(4) . . ?
O1 N1 Eu1 117.9(5) . . ?
C1 N1 Eu1 125.2(6) . . ?
C1 N1 O1 115.4(7) . . ?
C3 N2 Eu1 118.6(6) . . ?
C7 N2 Eu1 123.7(6) . . ?
C7 N2 C3 117.6(8) . . ?
O2 N3 Eu1 118.1(5) . . ?
C9 N3 Eu1 128.5(7) . . ?
C9 N3 O2 113.4(8) . . ?
C10 N4 Eu1 123.0(6) . . ?
C14 N4 Eu1 120.8(5) . . ?
C14 N4 C10 115.5(7) . . ?
O3 N5 Eu1 118.5(5) . . ?
C16 N5 Eu1 126.4(6) . . ?
C16 N5 O3 113.8(7) . . ?
C17 N6 Eu1 121.7(6) . . ?
C21 N6 Eu1 122.1(6) . . ?
C21 N6 C17 116.0(8) . . ?
O4 N7 Zn1 122.3(5) . . ?
C23 N7 Zn1 120.8(6) . . ?
C23 N7 O4 116.8(7) . . ?
C24 N8 Zn1 114.8(6) . . ?
C28 N8 Zn1 127.8(6) . . ?
C28 N8 C24 117.2(8) . . ?
O5 N9 Zn1 122.0(5) . . ?
C30 N9 Zn1 119.0(7) . . ?
C30 N9 O5 118.9(8) . . ?
C31 N10 Zn1 114.4(6) . . ?
C35 N10 Zn1 126.9(6) . . ?
C35 N10 C31 118.6(8) . . ?
O6 N11 Zn1 122.5(5) . . ?
C37 N11 Zn1 120.7(7) . . ?
C37 N11 O6 116.8(8) . . ?
C38 N12 Zn1 114.0(6) . . ?
C38 N12 C42 118.7(8) . . ?
C42 N12 Zn1 127.2(7) . . ?
N1 C1 C2 121.1(9) . . ?
N1 C1 C3 115.9(8) . . ?
C3 C1 C2 122.9(8) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
N2 C3 C1 118.6(8) . . ?
N2 C3 C4 119.3(9) . . ?
C4 C3 C1 122.0(8) . . ?
C3 C4 H4 118.8 . . ?
C5 C4 C3 122.4(9) . . ?
C5 C4 H4 118.8 . . ?
C4 C5 H5 121.3 . . ?
C6 C5 C4 117.4(9) . . ?
C6 C5 H5 121.3 . . ?
C5 C6 H6 120.9 . . ?
C7 C6 C5 118.2(10) . . ?
C7 C6 H6 120.9 . . ?
N2 C7 C6 125.0(9) . . ?
N2 C7 H7 117.5 . . ?
C6 C7 H7 117.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C9 C8 H8A 109.5 . . ?
C9 C8 H8B 109.5 . . ?
C9 C8 H8C 109.5 . . ?
N3 C9 C8 124.3(10) . . ?
N3 C9 C10 114.2(9) . . ?
C10 C9 C8 121.5(9) . . ?
N4 C10 C9 115.1(8) . . ?
C11 C10 N4 122.2(9) . . ?
C11 C10 C9 122.6(9) . . ?
C10 C11 H11 119.3 . . ?
C10 C11 C12 121.4(9) . . ?
C12 C11 H11 119.3 . . ?
C11 C12 H12 121.3 . . ?
C13 C12 C11 117.4(9) . . ?
C13 C12 H12 121.3 . . ?
C12 C13 H13 119.6 . . ?
C12 C13 C14 120.7(10) . . ?
C14 C13 H13 119.6 . . ?
N4 C14 C13 122.7(9) . . ?
N4 C14 H14 118.7 . . ?
C13 C14 H14 118.7 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
N5 C16 C15 124.0(9) . . ?
N5 C16 C17 115.1(8) . . ?
C17 C16 C15 120.9(8) . . ?
N6 C17 C16 115.7(8) . . ?
C18 C17 N6 123.4(9) . . ?
C18 C17 C16 121.0(9) . . ?
C17 C18 H18 120.6 . . ?
C17 C18 C19 118.8(10) . . ?
C19 C18 H18 120.6 . . ?
C18 C19 H19 120.5 . . ?
C18 C19 C20 119.0(10) . . ?
C20 C19 H19 120.5 . . ?
C19 C20 H20 120.9 . . ?
C21 C20 C19 118.2(10) . . ?
C21 C20 H20 120.9 . . ?
N6 C21 C20 124.5(9) . . ?
N6 C21 H21 117.7 . . ?
C20 C21 H21 117.7 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C23 C22 H22A 109.5 . . ?
C23 C22 H22B 109.5 . . ?
C23 C22 H22C 109.5 . . ?
N7 C23 C22 126.0(8) . . ?
N7 C23 C24 114.6(8) . . ?
C24 C23 C22 119.4(8) . . ?
N8 C24 C23 115.0(8) . . ?
N8 C24 C25 122.6(8) . . ?
C25 C24 C23 122.3(8) . . ?
C24 C25 H25 120.1 . . ?
C24 C25 C26 119.8(10) . . ?
C26 C25 H25 120.1 . . ?
C25 C26 H26 121.1 . . ?
C25 C26 C27 117.8(10) . . ?
C27 C26 H26 121.1 . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.2(11) . . ?
C28 C27 H27 120.4 . . ?
N8 C28 C27 123.3(10) . . ?
N8 C28 H28 118.4 . . ?
C27 C28 H28 118.4 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C30 C29 H29A 109.5 . . ?
C30 C29 H29B 109.5 . . ?
C30 C29 H29C 109.5 . . ?
N9 C30 C29 122.3(9) . . ?
N9 C30 C31 115.2(8) . . ?
C31 C30 C29 122.4(8) . . ?
N10 C31 C30 116.8(8) . . ?
N10 C31 C32 121.4(10) . . ?
C32 C31 C30 121.8(9) . . ?
C31 C32 H32 120.5 . . ?
C31 C32 C33 119.0(9) . . ?
C33 C32 H32 120.5 . . ?
C32 C33 H33 120.7 . . ?
C34 C33 C32 118.5(9) . . ?
C34 C33 H33 120.7 . . ?
C33 C34 H34 120.5 . . ?
C33 C34 C35 119.0(10) . . ?
C35 C34 H34 120.5 . . ?
N10 C35 C34 123.3(10) . . ?
N10 C35 H35 118.3 . . ?
C34 C35 H35 118.3 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
C37 C36 H36C 109.5 . . ?
N11 C37 C36 124.6(9) . . ?
N11 C37 C38 113.5(9) . . ?
C36 C37 C38 121.8(9) . . ?
N12 C38 C37 116.5(8) . . ?
N12 C38 C39 122.6(10) . . ?
C39 C38 C37 120.9(10) . . ?
C38 C39 H39 121.3 . . ?
C40 C39 C38 117.5(10) . . ?
C40 C39 H39 121.3 . . ?
C39 C40 H40 119.8 . . ?
C41 C40 C39 120.5(10) . . ?
C41 C40 H40 119.8 . . ?
C40 C41 H41 120.2 . . ?
C40 C41 C42 119.6(10) . . ?
C42 C41 H41 120.2 . . ?
N12 C42 C41 121.0(10) . . ?
N12 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
O7 Cl1 O9 107.4(6) . . ?
O7 Cl1 O10 110.6(7) . . ?
O8 Cl1 O7 110.9(7) . . ?
O8 Cl1 O9 109.7(8) . . ?
O8 Cl1 O10 108.3(6) . . ?
O9 Cl1 O10 109.9(6) . . ?
O11 Cl2 O14 109.4(7) . . ?
O12 Cl2 O11 111.2(6) . . ?
O12 Cl2 O13 109.0(10) . . ?
O12 Cl2 O14 107.4(10) . . ?
O13 Cl2 O11 114.3(8) . . ?
O13 Cl2 O14 105.0(9) . . ?
H15D O15 H15E 109.5 . . ?
H16A O16 H16B 109.5 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1 H1 O6 0.84 1.85 2.554(8) 140.7 .
O2 H2 O4 0.84 1.76 2.478(8) 142.2 .
O3 H3 O5 0.84 1.83 2.538(9) 141.4 .

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O4 N7 Zn1 -46.7(7) . . . . ?
Eu1 O4 N7 C23 133.4(6) . . . . ?
Eu1 O5 N9 Zn1 -43.5(8) . . . . ?
Eu1 O5 N9 C30 132.0(6) . . . . ?
Eu1 O6 N11 Zn1 -46.0(7) . . . . ?
Eu1 O6 N11 C37 135.7(6) . . . . ?
Eu1 N1 C1 C2 166.4(7) . . . . ?
Eu1 N1 C1 C3 -16.4(11) . . . . ?
Eu1 N2 C3 C1 9.5(10) . . . . ?
Eu1 N2 C3 C4 -174.4(6) . . . . ?
Eu1 N2 C7 C6 172.9(7) . . . . ?
Eu1 N3 C9 C8 -175.7(7) . . . . ?
Eu1 N3 C9 C10 1.4(11) . . . . ?
Eu1 N4 C10 C9 -8.8(10) . . . . ?
Eu1 N4 C10 C11 173.6(6) . . . . ?
Eu1 N4 C14 C13 -173.9(6) . . . . ?
Eu1 N5 C16 C15 166.7(7) . . . . ?
Eu1 N5 C16 C17 -11.5(12) . . . . ?
Eu1 N6 C17 C16 6.1(10) . . . . ?
Eu1 N6 C17 C18 -175.3(7) . . . . ?
Eu1 N6 C21 C20 175.4(7) . . . . ?
Zn1 N7 C23 C22 -177.5(7) . . . . ?
Zn1 N7 C23 C24 1.8(10) . . . . ?
Zn1 N8 C24 C23 -8.5(10) . . . . ?
Zn1 N8 C24 C25 174.7(8) . . . . ?
Zn1 N8 C28 C27 -172.2(8) . . . . ?
Zn1 N9 C30 C29 173.1(7) . . . . ?
Zn1 N9 C30 C31 -3.2(10) . . . . ?
Zn1 N10 C31 C30 -1.0(10) . . . . ?
Zn1 N10 C31 C32 175.6(7) . . . . ?
Zn1 N10 C35 C34 -173.8(7) . . . . ?
Zn1 N11 C37 C36 -180.0(8) . . . . ?
Zn1 N11 C37 C38 2.7(10) . . . . ?
Zn1 N12 C38 C37 -2.0(9) . . . . ?
Zn1 N12 C38 C39 177.2(7) . . . . ?
Zn1 N12 C42 C41 -174.5(7) . . . . ?
O1 N1 C1 C2 1.0(12) . . . . ?
O1 N1 C1 C3 178.1(7) . . . . ?
O2 N3 C9 C8 3.2(13) . . . . ?
O2 N3 C9 C10 -179.7(6) . . . . ?
O3 N5 C16 C15 0.0(13) . . . . ?
O3 N5 C16 C17 -178.2(7) . . . . ?
O4 N7 C23 C22 2.4(13) . . . . ?
O4 N7 C23 C24 -178.3(6) . . . . ?
O5 N9 C30 C29 -2.5(13) . . . . ?
O5 N9 C30 C31 -178.8(7) . . . . ?
O6 N11 C37 C36 -1.7(13) . . . . ?
O6 N11 C37 C38 -179.1(6) . . . . ?
N1 C1 C3 N2 3.6(12) . . . . ?
N1 C1 C3 C4 -172.4(9) . . . . ?
N2 C3 C4 C5 -0.8(14) . . . . ?
N3 C9 C10 N4 4.8(11) . . . . ?
N3 C9 C10 C11 -177.7(8) . . . . ?
N4 C10 C11 C12 -2.7(13) . . . . ?
N5 C16 C17 N6 3.0(12) . . . . ?
N5 C16 C17 C18 -175.7(8) . . . . ?
N6 C17 C18 C19 -1.1(14) . . . . ?
N7 C23 C24 N8 4.6(11) . . . . ?
N7 C23 C24 C25 -178.5(9) . . . . ?
N8 C24 C25 C26 0.2(16) . . . . ?
N9 C30 C31 N10 2.7(12) . . . . ?
N9 C30 C31 C32 -173.8(8) . . . . ?
N10 C31 C32 C33 -0.1(14) . . . . ?
N11 C37 C38 N12 -0.3(11) . . . . ?
N11 C37 C38 C39 -179.5(8) . . . . ?
N12 C38 C39 C40 -1.4(13) . . . . ?
C1 C3 C4 C5 175.2(9) . . . . ?
C2 C1 C3 N2 -179.3(9) . . . . ?
C2 C1 C3 C4 4.7(14) . . . . ?
C3 N2 C7 C6 -3.5(14) . . . . ?
C3 C4 C5 C6 0.4(15) . . . . ?
C4 C5 C6 C7 -1.5(15) . . . . ?
C5 C6 C7 N2 3.2(15) . . . . ?
C7 N2 C3 C1 -173.9(8) . . . . ?
C7 N2 C3 C4 2.2(12) . . . . ?
C8 C9 C10 N4 -178.1(8) . . . . ?
C8 C9 C10 C11 -0.5(13) . . . . ?
C9 C10 C11 C12 179.9(8) . . . . ?
C10 N4 C14 C13 -2.8(12) . . . . ?
C10 C11 C12 C13 2.3(14) . . . . ?
C11 C12 C13 C14 -2.3(14) . . . . ?
C12 C13 C14 N4 2.7(14) . . . . ?
C14 N4 C10 C9 -179.6(7) . . . . ?
C14 N4 C10 C11 2.8(12) . . . . ?
C15 C16 C17 N6 -175.3(8) . . . . ?
C15 C16 C17 C18 6.1(14) . . . . ?
C16 C17 C18 C19 177.4(9) . . . . ?
C17 N6 C21 C20 0.1(13) . . . . ?
C17 C18 C19 C20 2.2(15) . . . . ?
C18 C19 C20 C21 -2.1(14) . . . . ?
C19 C20 C21 N6 1.0(14) . . . . ?
C21 N6 C17 C16 -178.6(8) . . . . ?
C21 N6 C17 C18 0.0(13) . . . . ?
C22 C23 C24 N8 -176.1(8) . . . . ?
C22 C23 C24 C25 0.8(14) . . . . ?
C23 C24 C25 C26 -176.5(9) . . . . ?
C24 N8 C28 C27 3.1(15) . . . . ?
C24 C25 C26 C27 -0.8(17) . . . . ?
C25 C26 C27 C28 2.6(18) . . . . ?
C26 C27 C28 N8 -3.8(18) . . . . ?
C28 N8 C24 C23 175.6(8) . . . . ?
C28 N8 C24 C25 -1.2(14) . . . . ?
C29 C30 C31 N10 -173.6(8) . . . . ?
C29 C30 C31 C32 9.9(14) . . . . ?
C30 C31 C32 C33 176.2(8) . . . . ?
C31 N10 C35 C34 3.3(13) . . . . ?
C31 C32 C33 C34 0.8(14) . . . . ?
C32 C33 C34 C35 0.5(14) . . . . ?
C33 C34 C35 N10 -2.7(15) . . . . ?
C35 N10 C31 C30 -178.4(8) . . . . ?
C35 N10 C31 C32 -1.9(13) . . . . ?
C36 C37 C38 N12 -177.7(9) . . . . ?
C36 C37 C38 C39 3.1(13) . . . . ?
C37 C38 C39 C40 177.7(8) . . . . ?
C38 N12 C42 C41 2.2(13) . . . . ?
C38 C39 C40 C41 0.4(14) . . . . ?
C39 C40 C41 C42 1.8(15) . . . . ?
C40 C41 C42 N12 -3.2(15) . . . . ?
C42 N12 C38 C37 -179.0(7) . . . . ?
C42 N12 C38 C39 0.1(13) . . . . ?

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

data_nak122nd
_database_code_depnum_ccdc_archive 'CCDC 1021514'
_audit_update_record             
;
2015-10-07 deposited with the CCDC.
2015-10-14 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C28 H29 Dy N10 O10 Zn'
_chemical_formula_weight         893.48

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'
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'
Zn Zn 0.2839 1.4301 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   Cc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'

_cell_length_a                   15.9387(11)
_cell_length_b                   9.3158(4)
_cell_length_c                   22.5168(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 94.590(6)
_cell_angle_gamma                90.00
_cell_volume                     3332.6(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    180(2)
_cell_measurement_reflns_used    40987
_cell_measurement_theta_min      1.81
_cell_measurement_theta_max      26.16


_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1772
_exptl_absorpt_coefficient_mu    3.015
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4271
_exptl_absorpt_correction_T_max  0.5838
_exptl_absorpt_process_details   'XPREP in SHELXTL 6.14 (BrukerAXS Inc., 2003)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      180(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       '2-circle goniometer'
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_detector                 'image plate ( 34 cm diameter )'
_diffrn_detector_type            STOE
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11098
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.81
_diffrn_reflns_theta_max         25.62
_reflns_number_total             6259
_reflns_number_gt                6209
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'STOE X-AREA'
_computing_cell_refinement       'STOE X-AREA'
_computing_data_reduction        'STOE X-RED'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0367P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.011(6)
_refine_ls_number_reflns         6259
_refine_ls_number_parameters     452
_refine_ls_number_restraints     2
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0191
_refine_ls_wR_factor_ref         0.0480
_refine_ls_wR_factor_gt          0.0480
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_restrained_S_all      1.037
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 0.00588(2) 0.91435(4) -0.020416(15) 0.02220(7) Uani 1 1 d . . .
Dy1 Dy 0.050868(9) 0.735521(11) 0.138193(8) 0.02235(4) Uani 1 1 d . . .
C1 C 0.1198(2) 1.0548(4) -0.11855(14) 0.0347(7) Uani 1 1 d . . .
H1A H 0.0779 1.0205 -0.1475 0.042 Uiso 1 1 calc R . .
C2 C 0.1908(2) 1.1227(5) -0.13840(16) 0.0451(9) Uani 1 1 d . . .
H2A H 0.1975 1.1344 -0.1797 0.054 Uiso 1 1 calc R . .
C3 C 0.2504(2) 1.1718(5) -0.09555(17) 0.0470(9) Uani 1 1 d . . .
H3A H 0.2999 1.2174 -0.1072 0.056 Uiso 1 1 calc R . .
C4 C 0.2391(2) 1.1554(4) -0.03621(16) 0.0377(7) Uani 1 1 d . . .
H4A H 0.2798 1.1907 -0.0067 0.045 Uiso 1 1 calc R . .
C5 C 0.16702(18) 1.0863(3) -0.01989(14) 0.0256(6) Uani 1 1 d . . .
C6 C 0.15357(17) 1.0599(3) 0.04300(13) 0.0261(6) Uani 1 1 d . . .
C7 C 0.2168(2) 1.1014(4) 0.09252(15) 0.0399(8) Uani 1 1 d . . .
H7A H 0.1958 1.0750 0.1308 0.060 Uiso 1 1 calc R . .
H7B H 0.2262 1.2053 0.0915 0.060 Uiso 1 1 calc R . .
H7C H 0.2699 1.0512 0.0878 0.060 Uiso 1 1 calc R . .
C8 C -0.06556(17) 0.8448(4) -0.15291(13) 0.0284(6) Uani 1 1 d . . .
H8A H -0.0829 0.9424 -0.1542 0.034 Uiso 1 1 calc R . .
C9 C -0.0832(2) 0.7618(4) -0.20323(17) 0.0334(8) Uani 1 1 d . . .
H9A H -0.1113 0.8014 -0.2383 0.040 Uiso 1 1 calc R . .
C10 C -0.0585(2) 0.6189(4) -0.20104(14) 0.0355(7) Uani 1 1 d . . .
H10A H -0.0710 0.5577 -0.2343 0.043 Uiso 1 1 calc R . .
C11 C -0.0154(2) 0.5668(4) -0.14962(14) 0.0346(7) Uani 1 1 d . . .
H11A H 0.0033 0.4699 -0.1478 0.042 Uiso 1 1 calc R . .
C12 C 0.00066(17) 0.6570(3) -0.10041(14) 0.0277(6) Uani 1 1 d . . .
C13 C 0.04629(17) 0.6076(3) -0.04356(14) 0.0271(6) Uani 1 1 d . . .
C14 C 0.0747(2) 0.4558(4) -0.03544(17) 0.0414(8) Uani 1 1 d . . .
H14A H 0.1025 0.4436 0.0047 0.062 Uiso 1 1 calc R . .
H14B H 0.1145 0.4325 -0.0651 0.062 Uiso 1 1 calc R . .
H14C H 0.0260 0.3916 -0.0406 0.062 Uiso 1 1 calc R . .
C15 C -0.09232(19) 1.1784(3) -0.08157(13) 0.0290(6) Uani 1 1 d . . .
H15A H -0.0461 1.1847 -0.1056 0.035 Uiso 1 1 calc R . .
C16 C -0.1600(2) 1.2733(4) -0.09320(18) 0.0359(8) Uani 1 1 d . . .
H16A H -0.1606 1.3406 -0.1249 0.043 Uiso 1 1 calc R . .
C17 C -0.2249(3) 1.2656(4) -0.0575(2) 0.0396(9) Uani 1 1 d . . .
H17A H -0.2717 1.3282 -0.0642 0.048 Uiso 1 1 calc R . .
C18 C -0.22280(19) 1.1657(4) -0.01081(15) 0.0331(7) Uani 1 1 d . . .
H18A H -0.2672 1.1610 0.0149 0.040 Uiso 1 1 calc R . .
C19 C -0.15393(17) 1.0733(3) -0.00309(14) 0.0253(6) Uani 1 1 d . . .
C20 C -0.14718(16) 0.9641(3) 0.04425(12) 0.0230(5) Uani 1 1 d . . .
C21 C -0.20486(18) 0.9678(4) 0.09336(14) 0.0320(7) Uani 1 1 d . . .
H21A H -0.1917 0.8875 0.1206 0.048 Uiso 1 1 calc R . .
H21B H -0.2633 0.9598 0.0765 0.048 Uiso 1 1 calc R . .
H21C H -0.1974 1.0586 0.1152 0.048 Uiso 1 1 calc R . .
C22 C 0.1787(2) 0.4959(5) 0.23195(19) 0.0489(10) Uani 1 1 d . . .
H22A H 0.2071 0.5840 0.2406 0.059 Uiso 1 1 calc R . .
C23 C 0.2085(2) 0.3743(5) 0.26198(18) 0.0532(10) Uani 1 1 d . . .
H23A H 0.2564 0.3787 0.2898 0.064 Uiso 1 1 calc R . .
C24 C 0.1671(3) 0.2477(4) 0.2505(2) 0.0496(11) Uani 1 1 d . . .
H24A H 0.1859 0.1623 0.2705 0.060 Uiso 1 1 calc R . .
C25 C 0.0974(3) 0.2447(3) 0.2096(2) 0.0402(9) Uani 1 1 d . . .
H25A H 0.0679 0.1575 0.2012 0.048 Uiso 1 1 calc R . .
C26 C 0.07113(18) 0.3714(3) 0.18084(14) 0.0296(6) Uani 1 1 d . . .
C27 C -0.00209(19) 0.3751(3) 0.13616(14) 0.0304(6) Uani 1 1 d . . .
C28 C -0.0521(3) 0.2426(4) 0.1194(2) 0.0456(10) Uani 1 1 d . . .
H28A H -0.0978 0.2669 0.0894 0.068 Uiso 1 1 calc R . .
H28B H -0.0759 0.2034 0.1548 0.068 Uiso 1 1 calc R . .
H28C H -0.0153 0.1708 0.1030 0.068 Uiso 1 1 calc R . .
N1 N 0.10813(14) 1.0361(3) -0.06173(11) 0.0252(5) Uani 1 1 d . . .
N2 N 0.08533(14) 0.9922(3) 0.05149(10) 0.0227(5) Uani 1 1 d . . .
N3 N -0.02534(15) 0.7953(3) -0.10230(12) 0.0262(5) Uani 1 1 d . . .
N4 N 0.05611(15) 0.7034(3) -0.00291(12) 0.0253(5) Uani 1 1 d . . .
N5 N -0.08944(14) 1.0801(3) -0.03859(11) 0.0242(5) Uani 1 1 d . . .
N6 N -0.08811(14) 0.8716(3) 0.03990(11) 0.0244(5) Uani 1 1 d . . .
N7 N 0.11237(17) 0.4970(3) 0.19145(13) 0.0332(6) Uani 1 1 d . . .
N8 N -0.02029(15) 0.4971(3) 0.11348(12) 0.0287(5) Uani 1 1 d . . .
N9 N -0.04642(18) 0.8043(4) 0.23930(12) 0.0336(6) Uani 1 1 d . . .
N10 N 0.21145(17) 0.8344(3) 0.19434(12) 0.0351(6) Uani 1 1 d . . .
O1 O 0.07004(12) 0.9618(2) 0.10768(8) 0.0267(4) Uani 1 1 d . . .
O2 O 0.09738(13) 0.6687(3) 0.04937(9) 0.0262(5) Uani 1 1 d . . .
O3 O -0.07770(16) 0.7673(2) 0.08166(11) 0.0273(5) Uani 1 1 d . . .
O4 O -0.08608(15) 0.4956(3) 0.06936(11) 0.0360(5) Uani 1 1 d . . .
H4 H -0.0993 0.5802 0.0598 0.054 Uiso 1 1 calc R . .
O5 O -0.03113(15) 0.9019(3) 0.20353(11) 0.0378(5) Uani 1 1 d . . .
O6 O -0.02422(18) 0.6783(4) 0.22572(13) 0.0442(7) Uani 1 1 d . . .
O7 O -0.0803(2) 0.8264(4) 0.28484(12) 0.0574(8) Uani 1 1 d . . .
O8 O 0.14269(15) 0.8415(3) 0.22019(10) 0.0372(5) Uani 1 1 d . . .
O9 O 0.20815(17) 0.7628(2) 0.14687(14) 0.0362(6) Uani 1 1 d . . .
O10 O 0.27517(17) 0.8937(4) 0.21585(13) 0.0549(7) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 N2 2.103(2) . ?
Zn1 N6 2.139(2) . ?
Zn1 N4 2.147(3) . ?
Zn1 N3 2.175(3) . ?
Zn1 N5 2.182(2) . ?
Zn1 N1 2.247(2) . ?
Dy1 O1 2.245(2) . ?
Dy1 O2 2.275(2) . ?
Dy1 O3 2.343(2) . ?
Dy1 O6 2.445(3) . ?
Dy1 O8 2.468(2) . ?
Dy1 O9 2.512(3) . ?
Dy1 N8 2.535(3) . ?
Dy1 O5 2.566(2) . ?
Dy1 N7 2.673(3) . ?
Dy1 N10 2.912(3) . ?
Dy1 N9 2.926(3) . ?
C1 N1 1.319(4) . ?
C1 C2 1.400(5) . ?
C1 H1A 0.9500 . ?
C2 C3 1.377(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.371(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.392(4) . ?
C4 H4A 0.9500 . ?
C5 N1 1.358(4) . ?
C5 C6 1.470(4) . ?
C6 N2 1.285(4) . ?
C6 C7 1.493(4) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 N3 1.344(4) . ?
C8 C9 1.382(5) . ?
C8 H8A 0.9500 . ?
C9 C10 1.388(5) . ?
C9 H9A 0.9500 . ?
C10 C11 1.387(5) . ?
C10 H10A 0.9500 . ?
C11 C12 1.397(4) . ?
C11 H11A 0.9500 . ?
C12 N3 1.353(4) . ?
C12 C13 1.493(4) . ?
C13 N4 1.279(4) . ?
C13 C14 1.492(4) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 N5 1.331(4) . ?
C15 C16 1.403(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.362(6) . ?
C16 H16A 0.9500 . ?
C17 C18 1.402(5) . ?
C17 H17A 0.9500 . ?
C18 C19 1.395(4) . ?
C18 H18A 0.9500 . ?
C19 N5 1.353(4) . ?
C19 C20 1.471(4) . ?
C20 N6 1.286(4) . ?
C20 C21 1.494(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 N7 1.340(5) . ?
C22 C23 1.383(6) . ?
C22 H22A 0.9500 . ?
C23 C24 1.366(6) . ?
C23 H23A 0.9500 . ?
C24 C25 1.385(7) . ?
C24 H24A 0.9500 . ?
C25 C26 1.394(5) . ?
C25 H25A 0.9500 . ?
C26 N7 1.355(4) . ?
C26 C27 1.479(4) . ?
C27 N8 1.270(4) . ?
C27 C28 1.502(5) . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
N2 O1 1.338(3) . ?
N4 O2 1.341(3) . ?
N6 O3 1.353(3) . ?
N8 O4 1.386(3) . ?
N9 O7 1.214(4) . ?
N9 O5 1.252(4) . ?
N9 O6 1.271(5) . ?
N10 O10 1.222(4) . ?
N10 O9 1.257(4) . ?
N10 O8 1.283(4) . ?
O4 H4 0.8400 . ?

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
N2 Zn1 N6 89.11(9) . . ?
N2 Zn1 N4 88.96(10) . . ?
N6 Zn1 N4 89.01(10) . . ?
N2 Zn1 N3 155.69(9) . . ?
N6 Zn1 N3 108.60(10) . . ?
N4 Zn1 N3 75.25(10) . . ?
N2 Zn1 N5 105.52(9) . . ?
N6 Zn1 N5 74.82(9) . . ?
N4 Zn1 N5 157.84(9) . . ?
N3 Zn1 N5 95.35(10) . . ?
N2 Zn1 N1 74.49(9) . . ?
N6 Zn1 N1 157.66(10) . . ?
N4 Zn1 N1 105.43(9) . . ?
N3 Zn1 N1 91.77(10) . . ?
N5 Zn1 N1 94.72(9) . . ?
O1 Dy1 O2 85.76(8) . . ?
O1 Dy1 O3 81.36(7) . . ?
O2 Dy1 O3 83.64(8) . . ?
O1 Dy1 O6 122.59(9) . . ?
O2 Dy1 O6 149.76(8) . . ?
O3 Dy1 O6 90.13(10) . . ?
O1 Dy1 O8 76.48(8) . . ?
O2 Dy1 O8 123.48(8) . . ?
O3 Dy1 O8 142.78(8) . . ?
O6 Dy1 O8 77.50(9) . . ?
O1 Dy1 O9 76.67(7) . . ?
O2 Dy1 O9 72.70(9) . . ?
O3 Dy1 O9 148.60(9) . . ?
O6 Dy1 O9 120.61(10) . . ?
O8 Dy1 O9 51.17(9) . . ?
O1 Dy1 N8 145.54(8) . . ?
O2 Dy1 N8 74.85(9) . . ?
O3 Dy1 N8 68.58(8) . . ?
O6 Dy1 N8 75.33(10) . . ?
O8 Dy1 N8 137.96(8) . . ?
O9 Dy1 N8 122.14(8) . . ?
O1 Dy1 O5 72.32(7) . . ?
O2 Dy1 O5 152.42(8) . . ?
O3 Dy1 O5 76.81(8) . . ?
O6 Dy1 O5 50.57(9) . . ?
O8 Dy1 O5 68.17(8) . . ?
O9 Dy1 O5 116.44(8) . . ?
N8 Dy1 O5 114.56(8) . . ?
O1 Dy1 N7 149.70(8) . . ?
O2 Dy1 N7 91.90(9) . . ?
O3 Dy1 N7 128.46(8) . . ?
O6 Dy1 N7 69.08(10) . . ?
O8 Dy1 N7 79.79(9) . . ?
O9 Dy1 N7 73.82(8) . . ?
N8 Dy1 N7 60.79(8) . . ?
O5 Dy1 N7 115.48(8) . . ?
O1 Dy1 N10 72.52(8) . . ?
O2 Dy1 N10 97.55(8) . . ?
O3 Dy1 N10 153.66(8) . . ?
O6 Dy1 N10 100.89(9) . . ?
O8 Dy1 N10 25.95(8) . . ?
O9 Dy1 N10 25.46(9) . . ?
N8 Dy1 N10 137.27(8) . . ?
O5 Dy1 N10 91.74(8) . . ?
N7 Dy1 N10 77.88(9) . . ?
O1 Dy1 N9 97.24(8) . . ?
O2 Dy1 N9 166.96(8) . . ?
O3 Dy1 N9 84.27(8) . . ?
O6 Dy1 N9 25.39(11) . . ?
O8 Dy1 N9 69.50(8) . . ?
O9 Dy1 N9 120.33(9) . . ?
N8 Dy1 N9 96.15(9) . . ?
O5 Dy1 N9 25.26(9) . . ?
N7 Dy1 N9 91.79(9) . . ?
N10 Dy1 N9 95.45(8) . . ?
N1 C1 C2 123.3(3) . . ?
N1 C1 H1A 118.3 . . ?
C2 C1 H1A 118.3 . . ?
C3 C2 C1 117.2(3) . . ?
C3 C2 H2A 121.4 . . ?
C1 C2 H2A 121.4 . . ?
C4 C3 C2 120.5(3) . . ?
C4 C3 H3A 119.7 . . ?
C2 C3 H3A 119.7 . . ?
C3 C4 C5 119.0(3) . . ?
C3 C4 H4A 120.5 . . ?
C5 C4 H4A 120.5 . . ?
N1 C5 C4 121.0(3) . . ?
N1 C5 C6 117.7(2) . . ?
C4 C5 C6 121.2(3) . . ?
N2 C6 C5 114.6(2) . . ?
N2 C6 C7 123.0(3) . . ?
C5 C6 C7 122.3(3) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N3 C8 C9 123.7(3) . . ?
N3 C8 H8A 118.1 . . ?
C9 C8 H8A 118.1 . . ?
C8 C9 C10 118.0(3) . . ?
C8 C9 H9A 121.0 . . ?
C10 C9 H9A 121.0 . . ?
C11 C10 C9 119.1(3) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C10 C11 C12 119.9(3) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
N3 C12 C11 120.8(3) . . ?
N3 C12 C13 116.6(3) . . ?
C11 C12 C13 122.7(3) . . ?
N4 C13 C14 123.7(3) . . ?
N4 C13 C12 114.9(3) . . ?
C14 C13 C12 121.3(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N5 C15 C16 123.4(3) . . ?
N5 C15 H15A 118.3 . . ?
C16 C15 H15A 118.3 . . ?
C17 C16 C15 117.7(3) . . ?
C17 C16 H16A 121.1 . . ?
C15 C16 H16A 121.1 . . ?
C16 C17 C18 120.3(3) . . ?
C16 C17 H17A 119.9 . . ?
C18 C17 H17A 119.9 . . ?
C19 C18 C17 118.3(3) . . ?
C19 C18 H18A 120.8 . . ?
C17 C18 H18A 120.8 . . ?
N5 C19 C18 121.7(3) . . ?
N5 C19 C20 116.4(2) . . ?
C18 C19 C20 121.9(3) . . ?
N6 C20 C19 114.8(2) . . ?
N6 C20 C21 124.7(3) . . ?
C19 C20 C21 120.5(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
N7 C22 C23 124.1(4) . . ?
N7 C22 H22A 117.9 . . ?
C23 C22 H22A 117.9 . . ?
C24 C23 C22 118.2(4) . . ?
C24 C23 H23A 120.9 . . ?
C22 C23 H23A 120.9 . . ?
C23 C24 C25 119.5(3) . . ?
C23 C24 H24A 120.3 . . ?
C25 C24 H24A 120.3 . . ?
C24 C25 C26 119.2(3) . . ?
C24 C25 H25A 120.4 . . ?
C26 C25 H25A 120.4 . . ?
N7 C26 C25 121.7(3) . . ?
N7 C26 C27 116.4(3) . . ?
C25 C26 C27 121.8(3) . . ?
N8 C27 C26 115.9(3) . . ?
N8 C27 C28 122.4(3) . . ?
C26 C27 C28 121.7(3) . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 N1 C5 118.9(3) . . ?
C1 N1 Zn1 129.2(2) . . ?
C5 N1 Zn1 111.73(19) . . ?
C6 N2 O1 117.7(2) . . ?
C6 N2 Zn1 121.30(19) . . ?
O1 N2 Zn1 120.72(16) . . ?
C8 N3 C12 118.5(3) . . ?
C8 N3 Zn1 127.2(2) . . ?
C12 N3 Zn1 114.22(19) . . ?
C13 N4 O2 118.9(3) . . ?
C13 N4 Zn1 119.0(2) . . ?
O2 N4 Zn1 122.1(2) . . ?
C15 N5 C19 118.6(3) . . ?
C15 N5 Zn1 127.3(2) . . ?
C19 N5 Zn1 114.0(2) . . ?
C20 N6 O3 118.6(2) . . ?
C20 N6 Zn1 118.5(2) . . ?
O3 N6 Zn1 121.46(18) . . ?
C22 N7 C26 117.3(3) . . ?
C22 N7 Dy1 123.6(3) . . ?
C26 N7 Dy1 118.9(2) . . ?
C27 N8 O4 114.5(3) . . ?
C27 N8 Dy1 127.7(2) . . ?
O4 N8 Dy1 117.80(19) . . ?
O7 N9 O5 122.9(3) . . ?
O7 N9 O6 120.8(3) . . ?
O5 N9 O6 116.4(3) . . ?
O7 N9 Dy1 173.4(3) . . ?
O5 N9 Dy1 61.04(15) . . ?
O6 N9 Dy1 55.61(16) . . ?
O10 N10 O9 123.6(3) . . ?
O10 N10 O8 120.7(3) . . ?
O9 N10 O8 115.7(3) . . ?
O10 N10 Dy1 171.5(3) . . ?
O9 N10 Dy1 59.18(16) . . ?
O8 N10 Dy1 57.34(15) . . ?
N2 O1 Dy1 121.88(17) . . ?
N4 O2 Dy1 122.29(17) . . ?
N6 O3 Dy1 121.43(17) . . ?
N8 O4 H4 109.5 . . ?
N9 O5 Dy1 93.69(19) . . ?
N9 O6 Dy1 99.0(2) . . ?
N10 O8 Dy1 96.70(17) . . ?
N10 O9 Dy1 95.36(19) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 1.000
_refine_diff_density_max         0.661
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.069
