# Electronic Supplementary Material (ESI) for ChemComm.
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 969413'
_audit_update_record             
;
2013-10-30 deposited with the CCDC.
2015-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H50 Eu2 N8 O34 Zn'
_chemical_formula_weight         1508.15


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'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'
'-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                   17.0712(9)
_cell_length_b                   16.9810(11)
_cell_length_c                   20.3832(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.073(6)
_cell_angle_gamma                90.00
_cell_volume                     5617.3(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    126.8(3)
_cell_measurement_reflns_used    3867
_cell_measurement_theta_min      3.2550
_cell_measurement_theta_max      27.5760

_exptl_crystal_description       needlelike
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2904
_exptl_absorpt_coefficient_mu    2.731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.57347
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      126.8(3)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            12774
_diffrn_reflns_av_R_equivalents  0.0597
_diffrn_reflns_av_sigmaI/netI    0.0876
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.01
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4933
_reflns_number_gt                3709
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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)+(0.0593P)²+81.5570P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4933
_refine_ls_number_parameters     386
_refine_ls_number_restraints     93
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1502
_refine_ls_wR_factor_gt          0.1350
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.060
_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
O18 O 0.2349(7) 0.7960(8) 0.8324(6) 0.089(3) Uani 1 1 d DU . .
O17 O 0.2992(12) 0.9000(13) 0.7775(11) 0.078(2) Uani 0.50 1 d PDU . .
O15 O 0.3453(6) 0.9097(7) 0.6722(5) 0.078(2) Uani 1 1 d U . .
Zn2 Zn 0.5000 0.55994(9) 0.7500 0.0141(3) Uani 1 2 d S . .
Eu1 Eu 0.49446(2) 0.06227(3) 0.58259(2) 0.01261(16) Uani 1 1 d . . .
C1 C 0.5128(5) 0.3093(6) 0.6388(4) 0.018(2) Uani 1 1 d . . .
C2 C 0.4421(6) 0.3528(6) 0.6261(4) 0.022(2) Uani 1 1 d . . .
H2 H 0.3911 0.3303 0.6035 0.027 Uiso 1 1 calc R . .
C3 C 0.4475(5) 0.4306(6) 0.6473(4) 0.0153(19) Uani 1 1 d U . .
C4 C 0.5886(5) 0.4212(6) 0.6951(5) 0.021(2) Uani 1 1 d . . .
H4 H 0.6386 0.4444 0.7190 0.025 Uiso 1 1 calc R . .
C5 C 0.5887(5) 0.3445(6) 0.6722(4) 0.022(2) Uani 1 1 d . . .
H5 H 0.6378 0.3172 0.6788 0.026 Uiso 1 1 calc R . .
C6 C 0.3734(5) 0.4821(6) 0.6344(4) 0.0155(19) Uani 1 1 d . . .
C7 C 0.3011(5) 0.4687(6) 0.5818(4) 0.018(2) Uani 1 1 d . . .
H7 H 0.2969 0.4252 0.5532 0.022 Uiso 1 1 calc R . .
C8 C 0.2360(5) 0.5184(6) 0.5713(4) 0.019(2) Uani 1 1 d . . .
C9 C 0.2451(5) 0.5862(6) 0.6123(4) 0.0162(19) Uani 1 1 d . . .
H9 H 0.2024 0.6225 0.6050 0.019 Uiso 1 1 calc R . .
C10 C 0.3184(5) 0.5979(6) 0.6634(5) 0.019(2) Uani 1 1 d . . .
H10 H 0.3248 0.6426 0.6908 0.023 Uiso 1 1 calc R . .
C11 C 0.5481(6) 0.6528(6) 0.6366(4) 0.023(2) Uani 1 1 d . . .
H11 H 0.5612 0.6041 0.6220 0.027 Uiso 1 1 calc R . .
C12 C 0.5496(6) 0.7186(6) 0.5971(4) 0.024(2) Uani 1 1 d . . .
H12 H 0.5622 0.7144 0.5560 0.029 Uiso 1 1 calc R . .
C13 C 0.5319(5) 0.7901(6) 0.6203(4) 0.018(2) Uani 1 1 d . . .
C14 C 0.5117(5) 0.7952(6) 0.6813(5) 0.023(2) Uani 1 1 d U . .
H14 H 0.4989 0.8435 0.6970 0.027 Uiso 1 1 calc R . .
C15 C 0.5113(5) 0.7279(5) 0.7175(4) 0.0153(18) Uani 1 1 d . . .
C16 C 0.5277(5) 0.8643(6) 0.5780(5) 0.021(2) Uani 1 1 d . . .
C17 C 0.1549(5) 0.4999(6) 0.5176(4) 0.018(2) Uani 1 1 d . . .
C18 C 0.5092(5) 0.2242(6) 0.6196(4) 0.018(2) Uani 1 1 d . . .
N1 N 0.5196(4) 0.4634(5) 0.6844(4) 0.0165(16) Uani 1 1 d . . .
N2 N 0.3811(4) 0.5469(5) 0.6750(4) 0.0173(17) Uani 1 1 d U . .
N3 N 0.5284(4) 0.6567(5) 0.6958(3) 0.0176(17) Uani 1 1 d . . .
O1 O 0.4401(4) 0.0426(5) 0.6799(3) 0.0338(18) Uani 1 1 d . . .
H1A H 0.4805 0.0361 0.7192 0.051 Uiso 1 1 d R . .
H1B H 0.4084 0.0002 0.6732 0.051 Uiso 1 1 d R . .
O2 O 0.6139(4) 0.0422(5) 0.6824(3) 0.0264(16) Uani 1 1 d . . .
H2A H 0.6406 0.0874 0.6966 0.040 Uiso 1 1 d R . .
H2B H 0.6497 0.0086 0.6735 0.040 Uiso 1 1 d R . .
O3 O 0.5710(4) 0.1899(4) 0.6121(3) 0.0270(16) Uani 1 1 d . . .
O4 O 0.4421(4) 0.1883(4) 0.6108(4) 0.0306(17) Uani 1 1 d . . .
O5 O 0.1551(4) 0.4570(4) 0.4673(3) 0.0243(16) Uani 1 1 d . . .
O6 O 0.0898(3) 0.5257(4) 0.5252(3) 0.0158(13) Uani 1 1 d . . .
O7 O 0.5116(4) 0.9269(4) 0.6049(3) 0.0233(15) Uani 1 1 d . . .
O8 O 0.5405(4) 0.8589(4) 0.5208(3) 0.0240(15) Uani 1 1 d . . .
O9 O 0.1882(7) 0.3613(8) 0.2927(4) 0.092(4) Uani 1 1 d . . .
O10 O 0.4215(7) 0.5448(8) 0.4827(5) 0.094(4) Uani 1 1 d . . .
O11 O 0.3592(5) 0.7112(7) 0.4757(4) 0.076(4) Uani 1 1 d . . .
O12 O 0.3149(16) 0.7877(17) 0.5797(11) 0.075(7) Uani 0.50 1 d P A 1
O12' O 0.3097(16) 0.8326(17) 0.5495(11) 0.075(7) Uani 0.50 1 d P B 2
O13 O 0.2845(12) 0.4719(15) 0.3976(9) 0.069(5) Uani 0.50 1 d PU C 1
O13' O 0.2873(12) 0.4106(16) 0.4213(9) 0.069(5) Uani 0.50 1 d P D 2
O14 O 0.3040(7) 0.2347(10) 0.4686(6) 0.113(5) Uani 1 1 d U . .
N4 N 0.3192(16) 0.8667(19) 0.7184(13) 0.079(2) Uani 0.50 1 d PU . .
O16 O 0.2875(13) 0.7994(15) 0.7391(10) 0.081(2) Uani 0.50 1 d PDU . .
N4' N 0.2783(15) 0.8309(14) 0.7965(11) 0.079(2) Uani 0.50 1 d PDU . .


_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
O18 N4' 1.331(16) . ?
O17 N4' 1.320(18) . ?
O17 N4 1.46(3) . ?
O15 N4 1.37(3) . ?
Zn2 N3 2.118(8) 2_656 ?
Zn2 N3 2.118(8) . ?
Zn2 N2 2.141(7) . ?
Zn2 N2 2.141(7) 2_656 ?
Zn2 N1 2.205(8) . ?
Zn2 N1 2.205(8) 2_656 ?
Eu1 O7 2.344(7) 1_545 ?
Eu1 O6 2.363(6) 3_545 ?
Eu1 O8 2.410(6) 5_666 ?
Eu1 O2 2.417(6) . ?
Eu1 O4 2.455(7) . ?
Eu1 O1 2.459(6) . ?
Eu1 O5 2.460(6) 7_556 ?
Eu1 O3 2.505(7) . ?
Eu1 O6 2.678(6) 7_556 ?
Eu1 C18 2.841(10) . ?
Eu1 C17 2.925(8) 7_556 ?
Eu1 Eu1 4.0296(8) 5_656 ?
C1 C2 1.370(13) . ?
C1 C5 1.397(12) . ?
C1 C18 1.494(13) . ?
C2 C3 1.385(13) . ?
C3 N1 1.349(11) . ?
C3 C6 1.493(12) . ?
C4 N1 1.337(12) . ?
C4 C5 1.384(13) . ?
C6 N2 1.358(11) . ?
C6 C7 1.379(12) . ?
C7 C8 1.360(13) . ?
C8 C9 1.402(13) . ?
C8 C17 1.509(12) . ?
C9 C10 1.372(12) . ?
C10 N2 1.338(11) . ?
C11 N3 1.350(11) . ?
C11 C12 1.382(13) . ?
C12 C13 1.370(13) . ?
C13 C14 1.392(12) . ?
C13 C16 1.515(13) . ?
C14 C15 1.362(13) . ?
C15 N3 1.351(11) . ?
C15 C15 1.490(16) 2_656 ?
C16 O8 1.255(11) . ?
C16 O7 1.265(11) . ?
C17 O6 1.248(10) . ?
C17 O5 1.259(11) . ?
C17 Eu1 2.925(8) 7_556 ?
C18 O3 1.257(11) . ?
C18 O4 1.259(11) . ?
O5 Eu1 2.460(6) 7_556 ?
O6 Eu1 2.363(6) 3_455 ?
O6 Eu1 2.678(6) 7_556 ?
O7 Eu1 2.344(7) 1_565 ?
O8 Eu1 2.410(6) 5_666 ?
N4 O16 1.39(4) . ?
O16 N4' 1.338(17) . ?

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
N4' O17 N4 93(2) . . ?
N3 Zn2 N3 78.3(4) 2_656 . ?
N3 Zn2 N2 97.6(3) 2_656 . ?
N3 Zn2 N2 91.6(3) . . ?
N3 Zn2 N2 91.6(3) 2_656 2_656 ?
N3 Zn2 N2 97.6(3) . 2_656 ?
N2 Zn2 N2 168.1(4) . 2_656 ?
N3 Zn2 N1 174.2(3) 2_656 . ?
N3 Zn2 N1 99.1(3) . . ?
N2 Zn2 N1 77.2(3) . . ?
N2 Zn2 N1 93.9(3) 2_656 . ?
N3 Zn2 N1 99.1(3) 2_656 2_656 ?
N3 Zn2 N1 174.2(3) . 2_656 ?
N2 Zn2 N1 93.9(3) . 2_656 ?
N2 Zn2 N1 77.2(3) 2_656 2_656 ?
N1 Zn2 N1 83.9(4) . 2_656 ?
O7 Eu1 O6 77.0(2) 1_545 3_545 ?
O7 Eu1 O8 134.1(2) 1_545 5_666 ?
O6 Eu1 O8 74.6(2) 3_545 5_666 ?
O7 Eu1 O2 71.1(2) 1_545 . ?
O6 Eu1 O2 81.3(2) 3_545 . ?
O8 Eu1 O2 136.9(2) 5_666 . ?
O7 Eu1 O4 147.3(2) 1_545 . ?
O6 Eu1 O4 134.6(2) 3_545 . ?
O8 Eu1 O4 73.2(2) 5_666 . ?
O2 Eu1 O4 101.4(2) . . ?
O7 Eu1 O1 76.5(2) 1_545 . ?
O6 Eu1 O1 148.6(2) 3_545 . ?
O8 Eu1 O1 136.7(2) 5_666 . ?
O2 Eu1 O1 74.5(2) . . ?
O4 Eu1 O1 70.9(3) . . ?
O7 Eu1 O5 90.1(2) 1_545 7_556 ?
O6 Eu1 O5 123.2(2) 3_545 7_556 ?
O8 Eu1 O5 76.6(2) 5_666 7_556 ?
O2 Eu1 O5 145.7(2) . 7_556 ?
O4 Eu1 O5 78.8(2) . 7_556 ?
O1 Eu1 O5 73.3(2) . 7_556 ?
O7 Eu1 O3 141.0(2) 1_545 . ?
O6 Eu1 O3 87.6(2) 3_545 . ?
O8 Eu1 O3 72.5(2) 5_666 . ?
O2 Eu1 O3 71.2(2) . . ?
O4 Eu1 O3 52.5(2) . . ?
O1 Eu1 O3 102.9(2) . . ?
O5 Eu1 O3 127.7(2) 7_556 . ?
O7 Eu1 O6 67.3(2) 1_545 7_556 ?
O6 Eu1 O6 74.0(2) 3_545 7_556 ?
O8 Eu1 O6 70.6(2) 5_666 7_556 ?
O2 Eu1 O6 135.3(2) . 7_556 ?
O4 Eu1 O6 122.5(2) . 7_556 ?
O1 Eu1 O6 110.2(2) . 7_556 ?
O5 Eu1 O6 50.35(19) 7_556 7_556 ?
O3 Eu1 O6 141.9(2) . 7_556 ?
O7 Eu1 C18 154.4(2) 1_545 . ?
O6 Eu1 C18 111.6(2) 3_545 . ?
O8 Eu1 C18 70.9(2) 5_666 . ?
O2 Eu1 C18 86.0(3) . . ?
O4 Eu1 C18 26.2(2) . . ?
O1 Eu1 C18 86.6(3) . . ?
O5 Eu1 C18 103.5(2) 7_556 . ?
O3 Eu1 C18 26.2(2) . . ?
O6 Eu1 C18 137.6(2) 7_556 . ?
O7 Eu1 C17 79.1(2) 1_545 7_556 ?
O6 Eu1 C17 98.3(2) 3_545 7_556 ?
O8 Eu1 C17 70.4(2) 5_666 7_556 ?
O2 Eu1 C17 149.6(3) . 7_556 ?
O4 Eu1 C17 100.2(3) . 7_556 ?
O1 Eu1 C17 92.8(2) . 7_556 ?
O5 Eu1 C17 25.2(2) 7_556 7_556 ?
O3 Eu1 C17 139.2(2) . 7_556 ?
O6 Eu1 C17 25.2(2) 7_556 7_556 ?
C18 Eu1 C17 121.4(3) . 7_556 ?
O7 Eu1 Eu1 67.17(15) 1_545 5_656 ?
O6 Eu1 Eu1 39.71(14) 3_545 5_656 ?
O8 Eu1 Eu1 67.93(16) 5_666 5_656 ?
O2 Eu1 Eu1 112.57(17) . 5_656 ?
O4 Eu1 Eu1 140.19(17) . 5_656 ?
O1 Eu1 Eu1 136.88(19) . 5_656 ?
O5 Eu1 Eu1 84.07(15) 7_556 5_656 ?
O3 Eu1 Eu1 119.89(15) . 5_656 ?
O6 Eu1 Eu1 34.32(12) 7_556 5_656 ?
C18 Eu1 Eu1 134.95(17) . 5_656 ?
C17 Eu1 Eu1 58.93(18) 7_556 5_656 ?
C2 C1 C5 119.5(9) . . ?
C2 C1 C18 120.6(8) . . ?
C5 C1 C18 119.9(8) . . ?
C1 C2 C3 119.0(9) . . ?
N1 C3 C2 122.0(8) . . ?
N1 C3 C6 115.6(8) . . ?
C2 C3 C6 122.2(8) . . ?
N1 C4 C5 122.9(8) . . ?
C4 C5 C1 117.9(8) . . ?
N2 C6 C7 120.1(8) . . ?
N2 C6 C3 116.8(7) . . ?
C7 C6 C3 123.0(8) . . ?
C8 C7 C6 120.6(9) . . ?
C7 C8 C9 118.9(8) . . ?
C7 C8 C17 120.4(9) . . ?
C9 C8 C17 120.7(8) . . ?
C10 C9 C8 118.4(8) . . ?
N2 C10 C9 122.2(9) . . ?
N3 C11 C12 122.4(9) . . ?
C13 C12 C11 118.0(8) . . ?
C12 C13 C14 120.3(9) . . ?
C12 C13 C16 121.1(8) . . ?
C14 C13 C16 118.4(9) . . ?
C15 C14 C13 118.4(9) . . ?
N3 C15 C14 122.4(8) . . ?
N3 C15 C15 115.7(5) . 2_656 ?
C14 C15 C15 121.9(6) . 2_656 ?
O8 C16 O7 126.0(9) . . ?
O8 C16 C13 118.5(9) . . ?
O7 C16 C13 115.6(8) . . ?
O6 C17 O5 122.2(8) . . ?
O6 C17 C8 119.2(8) . . ?
O5 C17 C8 118.5(8) . . ?
O6 C17 Eu1 66.2(4) . 7_556 ?
O5 C17 Eu1 56.3(4) . 7_556 ?
C8 C17 Eu1 170.9(7) . 7_556 ?
O3 C18 O4 121.3(10) . . ?
O3 C18 C1 120.8(8) . . ?
O4 C18 C1 117.9(8) . . ?
O3 C18 Eu1 61.8(5) . . ?
O4 C18 Eu1 59.5(5) . . ?
C1 C18 Eu1 177.4(6) . . ?
C4 N1 C3 118.3(8) . . ?
C4 N1 Zn2 126.3(6) . . ?
C3 N1 Zn2 111.3(6) . . ?
C10 N2 C6 119.7(7) . . ?
C10 N2 Zn2 126.0(6) . . ?
C6 N2 Zn2 114.2(6) . . ?
C11 N3 C15 118.3(8) . . ?
C11 N3 Zn2 126.1(7) . . ?
C15 N3 Zn2 114.6(5) . . ?
C18 O3 Eu1 92.0(6) . . ?
C18 O4 Eu1 94.3(6) . . ?
C17 O5 Eu1 98.5(5) . 7_556 ?
C17 O6 Eu1 158.5(5) . 3_455 ?
C17 O6 Eu1 88.5(5) . 7_556 ?
Eu1 O6 Eu1 106.0(2) 3_455 7_556 ?
C16 O7 Eu1 140.5(6) . 1_565 ?
C16 O8 Eu1 134.8(6) . 5_666 ?
O15 N4 O16 153(3) . . ?
O15 N4 O17 125(3) . . ?
O16 N4 O17 81.7(18) . . ?
N4' O16 N4 96(2) . . ?
O17 N4' O18 144(2) . . ?
O17 N4' O16 89.0(19) . . ?
O18 N4' O16 123(2) . . ?

_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.994
_refine_diff_density_max         3.243
_refine_diff_density_min         -1.291
_refine_diff_density_rms         0.204
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2
_database_code_depnum_ccdc_archive 'CCDC 969414'
_audit_update_record             
;
2013-10-30 deposited with the CCDC.
2015-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H50 N8 O34 Tb2 Zn'
_chemical_formula_weight         1522.07

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'
Tb Tb -0.1723 4.1537 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'
'-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                   17.0778(7)
_cell_length_b                   16.9284(4)
_cell_length_c                   20.3385(9)
_cell_angle_alpha                90.00
_cell_angle_beta                 108.115(5)
_cell_angle_gamma                90.00
_cell_volume                     5588.4(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    127.35(10)
_cell_measurement_reflns_used    1085
_cell_measurement_theta_min      2.5105
_cell_measurement_theta_max      28.7933

_exptl_crystal_description       needlelike
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.780
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2920
_exptl_absorpt_coefficient_mu    3.031
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.67022
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      127.35(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11191
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0727
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         3.02
_diffrn_reflns_theta_max         25.01
_reflns_number_total             4913
_reflns_number_gt                3923
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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)+(0.0571P)²+103.2040P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4913
_refine_ls_number_parameters     386
_refine_ls_number_restraints     134
_refine_ls_R_factor_all          0.0675
_refine_ls_R_factor_gt           0.0523
_refine_ls_wR_factor_ref         0.1404
_refine_ls_wR_factor_gt          0.1294
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.035
_refine_ls_shift/su_mean         0.001

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
Zn2 Zn 0.5000 0.55993(7) 0.7500 0.0102(3) Uani 1 2 d S . .
Tb1 Tb 0.49445(2) 0.06205(2) 0.582348(19) 0.00887(15) Uani 1 1 d . . .
C1 C 0.5122(5) 0.3085(5) 0.6385(4) 0.0149(18) Uani 1 1 d . . .
C2 C 0.4407(5) 0.3528(5) 0.6247(4) 0.0154(18) Uani 1 1 d . . .
H2 H 0.3898 0.3309 0.6010 0.019 Uiso 1 1 calc R . .
C3 C 0.4469(5) 0.4307(4) 0.6471(4) 0.0099(16) Uani 1 1 d . . .
C4 C 0.5880(5) 0.4207(5) 0.6943(5) 0.0169(19) Uani 1 1 d . . .
H4 H 0.6385 0.4436 0.7180 0.020 Uiso 1 1 calc R . .
C5 C 0.5874(5) 0.3437(5) 0.6715(4) 0.0164(18) Uani 1 1 d . . .
H5 H 0.6363 0.3161 0.6783 0.020 Uiso 1 1 calc R . .
C6 C 0.3740(5) 0.4823(5) 0.6338(4) 0.0108(17) Uani 1 1 d . . .
C7 C 0.3011(5) 0.4675(5) 0.5813(4) 0.0127(17) Uani 1 1 d . . .
H7 H 0.2962 0.4236 0.5528 0.015 Uiso 1 1 calc R . .
C8 C 0.2360(5) 0.5191(5) 0.5721(4) 0.0128(17) Uani 1 1 d . . .
C9 C 0.2450(5) 0.5866(5) 0.6128(4) 0.0153(18) Uani 1 1 d . . .
H9 H 0.2024 0.6230 0.6060 0.018 Uiso 1 1 calc R . .
C10 C 0.3188(5) 0.5978(5) 0.6633(4) 0.0151(18) Uani 1 1 d . . .
H10 H 0.3257 0.6427 0.6909 0.018 Uiso 1 1 calc R . .
C11 C 0.5479(5) 0.6528(5) 0.6368(4) 0.0144(18) Uani 1 1 d . . .
H11 H 0.5607 0.6038 0.6222 0.017 Uiso 1 1 calc R . .
C12 C 0.5493(5) 0.7181(5) 0.5966(4) 0.0173(19) Uani 1 1 d . . .
H12 H 0.5626 0.7131 0.5558 0.021 Uiso 1 1 calc R . .
C13 C 0.5303(5) 0.7921(5) 0.6187(4) 0.0147(18) Uani 1 1 d . . .
C14 C 0.5119(5) 0.7962(5) 0.6813(4) 0.0141(18) Uani 1 1 d . . .
H14 H 0.5007 0.8445 0.6980 0.017 Uiso 1 1 calc R . .
C15 C 0.5108(5) 0.7277(4) 0.7175(4) 0.0124(17) Uani 1 1 d . . .
C16 C 0.5281(5) 0.8661(5) 0.5772(5) 0.0155(19) Uani 1 1 d . . .
C17 C 0.1539(5) 0.5001(5) 0.5184(4) 0.0138(18) Uani 1 1 d . . .
C18 C 0.5082(5) 0.2226(5) 0.6186(4) 0.0142(18) Uani 1 1 d . . .
N1 N 0.5194(4) 0.4640(4) 0.6840(3) 0.0121(14) Uani 1 1 d . . .
N2 N 0.3818(4) 0.5466(4) 0.6747(4) 0.0144(15) Uani 1 1 d U . .
N3 N 0.5288(4) 0.6566(4) 0.6959(4) 0.0140(15) Uani 1 1 d . . .
O1 O 0.4402(4) 0.0422(4) 0.6794(3) 0.0241(14) Uani 1 1 d . . .
H1A H 0.4765 0.0557 0.7173 0.036 Uiso 1 1 d R . .
H1B H 0.4282 -0.0066 0.6817 0.036 Uiso 1 1 d R . .
O2 O 0.6123(4) 0.0435(4) 0.6819(3) 0.0211(14) Uani 1 1 d . . .
H2A H 0.6498 0.0785 0.6829 0.032 Uiso 1 1 d R . .
H2B H 0.6331 -0.0031 0.6808 0.032 Uiso 1 1 d R . .
O3 O 0.5706(3) 0.1893(3) 0.6112(3) 0.0201(14) Uani 1 1 d . . .
O4 O 0.4415(3) 0.1862(3) 0.6107(3) 0.0236(14) Uani 1 1 d . . .
O5 O 0.1535(3) 0.4576(3) 0.4667(3) 0.0177(13) Uani 1 1 d . . .
O6 O 0.0892(3) 0.5265(3) 0.5258(3) 0.0116(12) Uani 1 1 d . . .
O7 O 0.5113(4) 0.9278(3) 0.6043(3) 0.0179(13) Uani 1 1 d . . .
O8 O 0.5409(3) 0.8607(3) 0.5198(3) 0.0163(13) Uani 1 1 d . . .
O9 O 0.3126(7) 0.1376(7) 0.7085(5) 0.089(4) Uani 1 1 d . . .
O10 O 0.4216(7) 0.5458(7) 0.4832(5) 0.083(3) Uani 1 1 d . . .
O11 O 0.3596(5) 0.7114(6) 0.4752(4) 0.066(3) Uani 1 1 d . . .
O12 O 0.3148(12) 0.7858(12) 0.5807(11) 0.062(4) Uani 0.50 1 d P A 1
O12' O 0.3088(12) 0.8310(12) 0.5509(11) 0.062(4) Uani 0.50 1 d P B 2
O13 O 0.2846(11) 0.4723(13) 0.3972(10) 0.065(4) Uani 0.50 1 d PU C 1
O13' O 0.2857(12) 0.4090(13) 0.4202(10) 0.065(4) Uani 0.50 1 d P D 2
O14 O 0.3037(7) 0.2319(9) 0.4685(6) 0.116(5) Uani 1 1 d U . .
O15 O 0.2647(6) 0.2950(7) 0.6669(5) 0.079(2) Uani 1 1 d U E .
O19 O 0.1560(6) 0.4111(6) 0.8285(5) 0.069(2) Uani 1 1 d U E .
O17 O 0.2008(11) 0.4033(12) 0.7209(10) 0.065(2) Uani 0.50 1 d PU E .
N4 N 0.2198(14) 0.3274(15) 0.7068(11) 0.067(2) Uani 0.50 1 d PDU . .
N4' N 0.1799(14) 0.3706(15) 0.7779(13) 0.067(2) Uani 0.50 1 d PU . .
O16 O 0.2121(11) 0.2954(11) 0.7654(9) 0.068(2) Uani 0.50 1 d PDU E 1


_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
Zn2 N3 2.114(7) 2_656 ?
Zn2 N3 2.114(7) . ?
Zn2 N2 2.133(7) . ?
Zn2 N2 2.133(7) 2_656 ?
Zn2 N1 2.196(7) . ?
Zn2 N1 2.196(7) 2_656 ?
Tb1 O7 2.317(5) 1_545 ?
Tb1 O6 2.336(5) 3_545 ?
Tb1 O8 2.369(5) 5_666 ?
Tb1 O2 2.390(6) . ?
Tb1 O4 2.426(6) . ?
Tb1 O5 2.434(5) 7_556 ?
Tb1 O1 2.450(6) . ?
Tb1 O3 2.491(6) . ?
Tb1 O6 2.679(5) 7_556 ?
Tb1 C18 2.807(8) . ?
Tb1 C17 2.914(8) 7_556 ?
Tb1 Tb1 4.0081(8) 5_656 ?
C1 C5 1.385(11) . ?
C1 C2 1.386(11) . ?
C1 C18 1.505(11) . ?
C2 C3 1.389(11) . ?
C3 N1 1.355(10) . ?
C3 C6 1.475(10) . ?
C4 N1 1.343(10) . ?
C4 C5 1.383(11) . ?
C6 N2 1.351(10) . ?
C6 C7 1.388(11) . ?
C7 C8 1.380(11) . ?
C8 C9 1.392(11) . ?
C8 C17 1.520(11) . ?
C9 C10 1.369(11) . ?
C10 N2 1.344(10) . ?
C11 N3 1.341(11) . ?
C11 C12 1.379(11) . ?
C12 C13 1.402(11) . ?
C13 C14 1.404(12) . ?
C13 C16 1.505(11) . ?
C14 C15 1.377(11) . ?
C15 N3 1.349(10) . ?
C15 C15 1.480(17) 2_656 ?
C16 O7 1.255(10) . ?
C16 O8 1.255(11) . ?
C17 O6 1.244(9) . ?
C17 O5 1.271(10) . ?
C17 Tb1 2.914(8) 7_556 ?
C18 O3 1.256(10) . ?
C18 O4 1.261(10) . ?
O5 Tb1 2.434(5) 7_556 ?
O6 Tb1 2.336(5) 3_455 ?
O6 Tb1 2.679(5) 7_556 ?
O7 Tb1 2.317(5) 1_565 ?
O8 Tb1 2.369(5) 5_666 ?
O15 N4 1.39(2) . ?
O19 N4' 1.40(3) . ?
O17 N4 1.38(3) . ?
O17 N4' 1.43(3) . ?
N4 O16 1.353(13) . ?
N4' O16 1.44(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N3 Zn2 N3 78.6(4) 2_656 . ?
N3 Zn2 N2 97.7(3) 2_656 . ?
N3 Zn2 N2 91.7(3) . . ?
N3 Zn2 N2 91.7(3) 2_656 2_656 ?
N3 Zn2 N2 97.7(3) . 2_656 ?
N2 Zn2 N2 167.8(3) . 2_656 ?
N3 Zn2 N1 173.9(2) 2_656 . ?
N3 Zn2 N1 98.6(3) . . ?
N2 Zn2 N1 76.8(2) . . ?
N2 Zn2 N1 94.1(2) 2_656 . ?
N3 Zn2 N1 98.6(3) 2_656 2_656 ?
N3 Zn2 N1 173.9(2) . 2_656 ?
N2 Zn2 N1 94.1(3) . 2_656 ?
N2 Zn2 N1 76.8(2) 2_656 2_656 ?
N1 Zn2 N1 84.7(4) . 2_656 ?
O7 Tb1 O6 77.2(2) 1_545 3_545 ?
O7 Tb1 O8 133.9(2) 1_545 5_666 ?
O6 Tb1 O8 74.76(19) 3_545 5_666 ?
O7 Tb1 O2 71.8(2) 1_545 . ?
O6 Tb1 O2 81.6(2) 3_545 . ?
O8 Tb1 O2 137.2(2) 5_666 . ?
O7 Tb1 O4 146.8(2) 1_545 . ?
O6 Tb1 O4 134.91(19) 3_545 . ?
O8 Tb1 O4 73.6(2) 5_666 . ?
O2 Tb1 O4 101.0(2) . . ?
O7 Tb1 O5 89.7(2) 1_545 7_556 ?
O6 Tb1 O5 123.53(18) 3_545 7_556 ?
O8 Tb1 O5 76.5(2) 5_666 7_556 ?
O2 Tb1 O5 145.4(2) . 7_556 ?
O4 Tb1 O5 78.46(19) . 7_556 ?
O7 Tb1 O1 76.5(2) 1_545 . ?
O6 Tb1 O1 148.7(2) 3_545 . ?
O8 Tb1 O1 136.5(2) 5_666 . ?
O2 Tb1 O1 74.3(2) . . ?
O4 Tb1 O1 70.4(2) . . ?
O5 Tb1 O1 73.0(2) 7_556 . ?
O7 Tb1 O3 141.15(19) 1_545 . ?
O6 Tb1 O3 87.00(19) 3_545 . ?
O8 Tb1 O3 72.62(19) 5_666 . ?
O2 Tb1 O3 70.9(2) . . ?
O4 Tb1 O3 53.21(18) . . ?
O5 Tb1 O3 127.94(18) 7_556 . ?
O1 Tb1 O3 103.3(2) . . ?
O7 Tb1 O6 67.13(18) 1_545 7_556 ?
O6 Tb1 O6 74.09(18) 3_545 7_556 ?
O8 Tb1 O6 70.32(18) 5_666 7_556 ?
O2 Tb1 O6 135.69(19) . 7_556 ?
O4 Tb1 O6 122.46(18) . 7_556 ?
O5 Tb1 O6 50.64(17) 7_556 7_556 ?
O1 Tb1 O6 110.25(19) . 7_556 ?
O3 Tb1 O6 141.62(19) . 7_556 ?
O7 Tb1 C18 154.7(2) 1_545 . ?
O6 Tb1 C18 111.4(2) 3_545 . ?
O8 Tb1 C18 71.0(2) 5_666 . ?
O2 Tb1 C18 85.7(2) . . ?
O4 Tb1 C18 26.6(2) . . ?
O5 Tb1 C18 103.4(2) 7_556 . ?
O1 Tb1 C18 86.7(2) . . ?
O3 Tb1 C18 26.6(2) . . ?
O6 Tb1 C18 137.53(19) 7_556 . ?
O7 Tb1 C17 79.0(2) 1_545 7_556 ?
O6 Tb1 C17 98.3(2) 3_545 7_556 ?
O8 Tb1 C17 69.7(2) 5_666 7_556 ?
O2 Tb1 C17 150.1(2) . 7_556 ?
O4 Tb1 C17 99.9(2) . 7_556 ?
O5 Tb1 C17 25.5(2) 7_556 7_556 ?
O1 Tb1 C17 93.0(2) . 7_556 ?
O3 Tb1 C17 138.9(2) . 7_556 ?
O6 Tb1 C17 25.25(19) 7_556 7_556 ?
C18 Tb1 C17 121.2(2) . 7_556 ?
O7 Tb1 Tb1 67.13(15) 1_545 5_656 ?
O6 Tb1 Tb1 39.99(13) 3_545 5_656 ?
O8 Tb1 Tb1 67.77(14) 5_666 5_656 ?
O2 Tb1 Tb1 113.12(15) . 5_656 ?
O4 Tb1 Tb1 140.38(16) . 5_656 ?
O5 Tb1 Tb1 84.16(13) 7_556 5_656 ?
O1 Tb1 Tb1 136.82(15) . 5_656 ?
O3 Tb1 Tb1 119.56(14) . 5_656 ?
O6 Tb1 Tb1 34.10(11) 7_556 5_656 ?
C18 Tb1 Tb1 134.87(17) . 5_656 ?
C17 Tb1 Tb1 58.67(16) 7_556 5_656 ?
C5 C1 C2 119.4(8) . . ?
C5 C1 C18 120.2(7) . . ?
C2 C1 C18 120.3(7) . . ?
C1 C2 C3 118.4(7) . . ?
N1 C3 C2 122.7(7) . . ?
N1 C3 C6 115.5(7) . . ?
C2 C3 C6 121.9(7) . . ?
N1 C4 C5 123.1(8) . . ?
C4 C5 C1 118.6(8) . . ?
N2 C6 C7 120.8(7) . . ?
N2 C6 C3 116.5(7) . . ?
C7 C6 C3 122.6(7) . . ?
C8 C7 C6 118.8(7) . . ?
C7 C8 C9 120.2(7) . . ?
C7 C8 C17 119.1(7) . . ?
C9 C8 C17 120.6(7) . . ?
C10 C9 C8 117.8(8) . . ?
N2 C10 C9 122.8(8) . . ?
N3 C11 C12 123.1(8) . . ?
C11 C12 C13 118.6(8) . . ?
C12 C13 C14 118.3(8) . . ?
C12 C13 C16 122.2(8) . . ?
C14 C13 C16 119.6(7) . . ?
C15 C14 C13 119.2(7) . . ?
N3 C15 C14 122.3(8) . . ?
N3 C15 C15 115.9(5) . 2_656 ?
C14 C15 C15 121.8(5) . 2_656 ?
O7 C16 O8 126.7(8) . . ?
O7 C16 C13 114.6(8) . . ?
O8 C16 C13 118.7(7) . . ?
O6 C17 O5 121.8(7) . . ?
O6 C17 C8 119.4(7) . . ?
O5 C17 C8 118.7(7) . . ?
O6 C17 Tb1 66.7(4) . 7_556 ?
O5 C17 Tb1 55.6(4) . 7_556 ?
C8 C17 Tb1 171.0(6) . 7_556 ?
O3 C18 O4 122.1(7) . . ?
O3 C18 C1 119.8(7) . . ?
O4 C18 C1 118.1(7) . . ?
O3 C18 Tb1 62.5(4) . . ?
O4 C18 Tb1 59.6(4) . . ?
C1 C18 Tb1 177.7(6) . . ?
C4 N1 C3 117.6(7) . . ?
C4 N1 Zn2 126.7(5) . . ?
C3 N1 Zn2 111.1(5) . . ?
C10 N2 C6 119.5(7) . . ?
C10 N2 Zn2 125.7(6) . . ?
C6 N2 Zn2 114.7(5) . . ?
C11 N3 C15 118.6(7) . . ?
C11 N3 Zn2 126.2(5) . . ?
C15 N3 Zn2 114.0(5) . . ?
C18 O3 Tb1 90.9(5) . . ?
C18 O4 Tb1 93.8(5) . . ?
C17 O5 Tb1 98.9(5) . 7_556 ?
C17 O6 Tb1 158.4(5) . 3_455 ?
C17 O6 Tb1 88.0(5) . 7_556 ?
Tb1 O6 Tb1 105.91(18) 3_455 7_556 ?
C16 O7 Tb1 139.8(6) . 1_565 ?
C16 O8 Tb1 134.8(5) . 5_666 ?
N4 O17 N4' 86.7(17) . . ?
O16 N4 O17 95.5(19) . . ?
O16 N4 O15 125(2) . . ?
O17 N4 O15 134.3(19) . . ?
O19 N4' O17 128(2) . . ?
O19 N4' O16 141(2) . . ?
O17 N4' O16 89.7(18) . . ?
N4 O16 N4' 87.1(18) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.503
_refine_diff_density_min         -1.224
_refine_diff_density_rms         0.205
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_2-I
_database_code_depnum_ccdc_archive 'CCDC 986348'
_audit_update_record             
;
2014-02-11 deposited with the CCDC.
2015-01-05 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H34 I2 N6 O21 Tb2 Zn'
_chemical_formula_weight         1523.75

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'
I I -0.4742 1.8119 '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'
Tb Tb -0.1723 4.1537 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   C2/c

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'
'-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                   17.2316(6)
_cell_length_b                   16.7585(7)
_cell_length_c                   21.2567(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 106.996(4)
_cell_angle_gamma                90.00
_cell_volume                     5870.3(4)
_cell_formula_units_Z            4
_cell_measurement_temperature    130.45(10)
_cell_measurement_reflns_used    3786
_cell_measurement_theta_min      3.4680
_cell_measurement_theta_max      27.5380

_exptl_crystal_description       needlelike
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.01
_exptl_crystal_density_meas      none
_exptl_crystal_density_diffrn    1.715
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2872
_exptl_absorpt_coefficient_mu    3.908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.67499
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      130.45(10)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13716
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0929
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.91
_diffrn_reflns_theta_max         25.01
_reflns_number_total             5063
_reflns_number_gt                3786
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_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)+(0.0589P)²+41.5941P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constrained
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5063
_refine_ls_number_parameters     332
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_gt           0.0548
_refine_ls_wR_factor_ref         0.1416
_refine_ls_wR_factor_gt          0.1256
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.001
_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 0.5000 1.05995(9) 0.7500 0.0121(3) Uani 1 2 d S . .
Tb1 Tb 0.47942(2) 0.56529(3) 0.571093(17) 0.01190(16) Uani 1 1 d . . .
C1 C 0.3162(5) 1.0924(6) 0.6780(4) 0.025(2) Uani 1 1 d . . .
H1 H 0.3228 1.1377 0.7043 0.030 Uiso 1 1 calc R . .
C2 C 0.2393(5) 1.0773(6) 0.6320(4) 0.024(2) Uani 1 1 d . . .
H2 H 0.1953 1.1106 0.6295 0.029 Uiso 1 1 calc R . .
C3 C 0.2317(5) 1.0134(6) 0.5918(4) 0.019(2) Uani 1 1 d . . .
C4 C 0.3000(5) 0.9652(6) 0.5966(4) 0.022(2) Uani 1 1 d . . .
H4 H 0.2967 0.9230 0.5675 0.026 Uiso 1 1 calc R . .
C5 C 0.3716(5) 0.9805(6) 0.6441(4) 0.0138(19) Uani 1 1 d . . .
C6 C 0.1558(5) 0.9926(7) 0.5382(4) 0.022(2) Uani 1 1 d . . .
C7 C 0.4449(5) 0.9315(6) 0.6524(4) 0.0143(18) Uani 1 1 d . . .
C8 C 0.4386(5) 0.8528(6) 0.6260(4) 0.020(2) Uani 1 1 d . . .
H8 H 0.3883 0.8304 0.6053 0.024 Uiso 1 1 calc R . .
C9 C 0.5089(5) 0.8110(6) 0.6321(4) 0.0160(19) Uani 1 1 d U . .
C10 C 0.5840(5) 0.8480(6) 0.6631(4) 0.0171(19) Uani 1 1 d . . .
H10 H 0.6327 0.8222 0.6660 0.021 Uiso 1 1 calc R . .
C11 C 0.5833(5) 0.9233(6) 0.6890(4) 0.023(2) Uani 1 1 d . . .
H11 H 0.6327 0.9471 0.7104 0.028 Uiso 1 1 calc R . .
C12 C 0.5034(5) 0.7273(6) 0.6086(4) 0.0156(19) Uani 1 1 d U . .
C13 C 0.5329(5) 1.1543(6) 0.6356(4) 0.020(2) Uani 1 1 d . . .
H13 H 0.5418 1.1045 0.6195 0.024 Uiso 1 1 calc R . .
C14 C 0.5317(6) 1.2198(7) 0.5967(4) 0.028(2) Uani 1 1 d . . .
H14 H 0.5416 1.2151 0.5562 0.034 Uiso 1 1 calc R . .
C15 C 0.5156(5) 1.2922(6) 0.6195(4) 0.019(2) Uani 1 1 d . . .
C16 C 0.5035(5) 1.2991(6) 0.6795(4) 0.020(2) Uani 1 1 d U . .
H16 H 0.4936 1.3487 0.6953 0.024 Uiso 1 1 calc R . .
C17 C 0.5061(5) 1.2297(6) 0.7174(4) 0.0153(19) Uani 1 1 d . . .
C18 C 0.5115(5) 1.3686(6) 0.5767(4) 0.017(2) Uani 1 1 d . . .
I1 I 0.18273(7) 0.89964(10) 0.77297(6) 0.0327(4) Uani 0.50 1 d P . .
I2 I 0.2436(3) 0.7758(3) 0.6938(2) 0.0880(15) Uani 0.25 1 d P . .
I3 I 0.4241(4) 0.0192(3) 0.48404(18) 0.0945(17) Uani 0.25 1 d P . .
N1 N 0.3790(4) 1.0436(5) 0.6846(3) 0.0171(17) Uani 1 1 d . . .
N2 N 0.5152(4) 0.9640(5) 0.6849(3) 0.0137(16) Uani 1 1 d . . .
N3 N 0.5221(4) 1.1579(5) 0.6950(3) 0.0161(16) Uani 1 1 d . . .
O1 O 0.1591(3) 0.9438(5) 0.4956(3) 0.0296(17) Uani 1 1 d . . .
O2 O 0.0899(3) 1.0267(4) 0.5384(3) 0.0192(14) Uani 1 1 d . . .
O3 O 0.5326(4) 1.3605(4) 0.5257(3) 0.0243(15) Uani 1 1 d . . .
O4 O 0.4895(4) 1.4296(4) 0.5981(3) 0.0254(15) Uani 1 1 d U . .
O5 O 0.4354(4) 0.6925(4) 0.5971(3) 0.0309(17) Uani 1 1 d . . .
O6 O 0.5647(3) 0.6920(4) 0.6016(3) 0.0215(15) Uani 1 1 d . . .
O7 O 0.5698(5) 0.5559(5) 0.6789(3) 0.047(2) Uani 1 1 d . . .
H7A H 0.5936 0.5097 0.6993 0.070 Uiso 1 1 d R . .
H7B H 0.5868 0.5981 0.7076 0.070 Uiso 1 1 d R . .
O8 O 0.3933(5) 0.5466(5) 0.6411(4) 0.048(2) Uani 1 1 d . . .
H8A H 0.3570 0.5119 0.6241 0.072 Uiso 1 1 d R . .
H8B H 0.3704 0.5907 0.6452 0.072 Uiso 1 1 d R . .
O9 O 0.4123(6) 0.6799(6) 0.7340(3) 0.057(3) Uani 1 1 d . . .
O10 O 0.1989(6) 0.7590(8) 0.5410(5) 0.096(4) Uani 1 1 d . . .
O11 O 0.2894(13) 0.9035(16) 0.4249(15) 0.119(11) Uani 0.50 1 d 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
Zn1 N3 2.114(8) 2_656 ?
Zn1 N3 2.114(8) . ?
Zn1 N1 2.158(7) . ?
Zn1 N1 2.158(7) 2_656 ?
Zn1 N2 2.186(7) . ?
Zn1 N2 2.186(7) 2_656 ?
Tb1 O2 2.302(6) 3_545 ?
Tb1 O4 2.339(7) 1_545 ?
Tb1 O3 2.361(6) 5_676 ?
Tb1 O7 2.370(6) . ?
Tb1 O5 2.381(7) . ?
Tb1 O1 2.399(6) 7_566 ?
Tb1 O8 2.409(7) . ?
Tb1 O6 2.555(6) . ?
Tb1 O2 2.756(6) 7_566 ?
Tb1 C12 2.826(10) . ?
Tb1 C6 2.934(8) 7_566 ?
Tb1 Tb1 3.9597(8) 5_666 ?
C1 N1 1.332(12) . ?
C1 C2 1.421(12) . ?
C2 C3 1.352(13) . ?
C3 C4 1.407(12) . ?
C3 C6 1.502(11) . ?
C4 C5 1.372(11) . ?
C5 N1 1.345(11) . ?
C5 C7 1.474(12) . ?
C6 O1 1.234(11) . ?
C6 O2 1.273(10) . ?
C6 Tb1 2.934(8) 7_566 ?
C7 N2 1.323(11) . ?
C7 C8 1.424(13) . ?
C8 C9 1.372(12) . ?
C9 C10 1.413(12) . ?
C9 C12 1.483(13) . ?
C10 C11 1.379(13) . ?
C11 N2 1.338(11) . ?
C12 O6 1.256(10) . ?
C12 O5 1.267(10) . ?
C13 N3 1.330(10) . ?
C13 C14 1.371(13) . ?
C14 C15 1.364(14) . ?
C15 C16 1.357(12) . ?
C15 C18 1.560(13) . ?
C16 C17 1.408(13) . ?
C17 N3 1.353(11) . ?
C17 C17 1.462(16) 2_656 ?
C18 O4 1.223(11) . ?
C18 O3 1.248(10) . ?
I1 I2 3.045(6) . ?
I3 I3 2.585(12) 5_656 ?
O1 Tb1 2.399(6) 7_566 ?
O2 Tb1 2.302(6) 3_455 ?
O2 Tb1 2.756(6) 7_566 ?
O3 Tb1 2.361(6) 5_676 ?
O4 Tb1 2.339(7) 1_565 ?

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
N3 Zn1 N3 78.1(4) 2_656 . ?
N3 Zn1 N1 99.1(3) 2_656 . ?
N3 Zn1 N1 92.2(3) . . ?
N3 Zn1 N1 92.2(3) 2_656 2_656 ?
N3 Zn1 N1 99.1(3) . 2_656 ?
N1 Zn1 N1 165.4(4) . 2_656 ?
N3 Zn1 N2 174.6(2) 2_656 . ?
N3 Zn1 N2 98.4(3) . . ?
N1 Zn1 N2 76.7(3) . . ?
N1 Zn1 N2 92.4(3) 2_656 . ?
N3 Zn1 N2 98.4(3) 2_656 2_656 ?
N3 Zn1 N2 174.6(2) . 2_656 ?
N1 Zn1 N2 92.4(3) . 2_656 ?
N1 Zn1 N2 76.7(3) 2_656 2_656 ?
N2 Zn1 N2 85.3(4) . 2_656 ?
O2 Tb1 O4 78.0(2) 3_545 1_545 ?
O2 Tb1 O3 75.8(2) 3_545 5_676 ?
O4 Tb1 O3 135.0(2) 1_545 5_676 ?
O2 Tb1 O7 84.6(3) 3_545 . ?
O4 Tb1 O7 73.6(2) 1_545 . ?
O3 Tb1 O7 138.0(3) 5_676 . ?
O2 Tb1 O5 132.0(2) 3_545 . ?
O4 Tb1 O5 145.0(2) 1_545 . ?
O3 Tb1 O5 77.2(2) 5_676 . ?
O7 Tb1 O5 89.9(3) . . ?
O2 Tb1 O1 124.9(2) 3_545 7_566 ?
O4 Tb1 O1 94.2(2) 1_545 7_566 ?
O3 Tb1 O1 72.5(2) 5_676 7_566 ?
O7 Tb1 O1 145.7(3) . 7_566 ?
O5 Tb1 O1 82.2(2) . 7_566 ?
O2 Tb1 O8 149.6(3) 3_545 . ?
O4 Tb1 O8 74.8(3) 1_545 . ?
O3 Tb1 O8 133.9(3) 5_676 . ?
O7 Tb1 O8 75.1(3) . . ?
O5 Tb1 O8 71.2(3) . . ?
O1 Tb1 O8 70.7(3) 7_566 . ?
O2 Tb1 O6 81.1(2) 3_545 . ?
O4 Tb1 O6 138.5(2) 1_545 . ?
O3 Tb1 O6 71.4(2) 5_676 . ?
O7 Tb1 O6 69.1(2) . . ?
O5 Tb1 O6 52.8(2) . . ?
O1 Tb1 O6 127.0(2) 7_566 . ?
O8 Tb1 O6 111.3(3) . . ?
O2 Tb1 O2 77.3(2) 3_545 7_566 ?
O4 Tb1 O2 69.3(2) 1_545 7_566 ?
O3 Tb1 O2 69.7(2) 5_676 7_566 ?
O7 Tb1 O2 141.3(2) . 7_566 ?
O5 Tb1 O2 127.4(2) . 7_566 ?
O1 Tb1 O2 49.8(2) 7_566 7_566 ?
O8 Tb1 O2 104.8(2) . 7_566 ?
O6 Tb1 O2 138.93(18) . 7_566 ?
O2 Tb1 C12 106.8(2) 3_545 . ?
O4 Tb1 C12 150.5(2) 1_545 . ?
O3 Tb1 C12 73.0(2) 5_676 . ?
O7 Tb1 C12 77.9(3) . . ?
O5 Tb1 C12 26.4(2) . . ?
O1 Tb1 C12 105.4(2) 7_566 . ?
O8 Tb1 C12 90.9(3) . . ?
O6 Tb1 C12 26.4(2) . . ?
O2 Tb1 C12 140.1(2) 7_566 . ?
O2 Tb1 C6 101.7(2) 3_545 7_566 ?
O4 Tb1 C6 81.8(3) 1_545 7_566 ?
O3 Tb1 C6 68.7(3) 5_676 7_566 ?
O7 Tb1 C6 152.8(3) . 7_566 ?
O5 Tb1 C6 104.3(3) . 7_566 ?
O1 Tb1 C6 24.2(2) 7_566 7_566 ?
O8 Tb1 C6 87.5(3) . 7_566 ?
O6 Tb1 C6 137.8(2) . 7_566 ?
O2 Tb1 C6 25.6(2) 7_566 7_566 ?
C12 Tb1 C6 123.9(3) . 7_566 ?
O2 Tb1 Tb1 42.76(14) 3_545 5_666 ?
O4 Tb1 Tb1 68.47(15) 1_545 5_666 ?
O3 Tb1 Tb1 67.40(16) 5_676 5_666 ?
O7 Tb1 Tb1 119.2(2) . 5_666 ?
O5 Tb1 Tb1 144.31(17) . 5_666 ?
O1 Tb1 Tb1 83.28(15) 7_566 5_666 ?
O8 Tb1 Tb1 132.8(2) . 5_666 ?
O6 Tb1 Tb1 115.77(13) . 5_666 ?
O2 Tb1 Tb1 34.55(12) 7_566 5_666 ?
C12 Tb1 Tb1 134.61(16) . 5_666 ?
C6 Tb1 Tb1 59.38(18) 7_566 5_666 ?
N1 C1 C2 121.9(9) . . ?
C3 C2 C1 118.4(9) . . ?
C2 C3 C4 119.0(8) . . ?
C2 C3 C6 124.4(8) . . ?
C4 C3 C6 116.4(8) . . ?
C5 C4 C3 119.9(9) . . ?
N1 C5 C4 121.0(8) . . ?
N1 C5 C7 116.4(7) . . ?
C4 C5 C7 122.5(8) . . ?
O1 C6 O2 122.1(8) . . ?
O1 C6 C3 119.6(8) . . ?
O2 C6 C3 118.3(8) . . ?
O1 C6 Tb1 52.8(4) . 7_566 ?
O2 C6 Tb1 69.4(4) . 7_566 ?
C3 C6 Tb1 172.3(7) . 7_566 ?
N2 C7 C8 122.7(8) . . ?
N2 C7 C5 117.0(8) . . ?
C8 C7 C5 120.4(8) . . ?
C9 C8 C7 118.2(8) . . ?
C8 C9 C10 118.8(9) . . ?
C8 C9 C12 119.0(8) . . ?
C10 C9 C12 122.1(8) . . ?
C11 C10 C9 118.3(8) . . ?
N2 C11 C10 123.5(8) . . ?
O6 C12 O5 121.4(9) . . ?
O6 C12 C9 120.9(8) . . ?
O5 C12 C9 117.7(8) . . ?
O6 C12 Tb1 64.7(5) . . ?
O5 C12 Tb1 56.8(5) . . ?
C9 C12 Tb1 173.5(6) . . ?
N3 C13 C14 123.6(9) . . ?
C15 C14 C13 117.9(8) . . ?
C16 C15 C14 120.9(9) . . ?
C16 C15 C18 118.9(9) . . ?
C14 C15 C18 120.2(7) . . ?
C15 C16 C17 118.6(9) . . ?
N3 C17 C16 120.6(8) . . ?
N3 C17 C17 115.8(5) . 2_656 ?
C16 C17 C17 123.6(5) . 2_656 ?
O4 C18 O3 128.0(9) . . ?
O4 C18 C15 115.8(7) . . ?
O3 C18 C15 116.2(8) . . ?
C1 N1 C5 119.6(7) . . ?
C1 N1 Zn1 126.3(6) . . ?
C5 N1 Zn1 113.9(5) . . ?
C7 N2 C11 118.3(8) . . ?
C7 N2 Zn1 111.9(5) . . ?
C11 N2 Zn1 126.8(6) . . ?
C13 N3 C17 118.3(8) . . ?
C13 N3 Zn1 126.0(6) . . ?
C17 N3 Zn1 114.0(5) . . ?
C6 O1 Tb1 103.0(5) . 7_566 ?
C6 O2 Tb1 160.9(6) . 3_455 ?
C6 O2 Tb1 85.0(5) . 7_566 ?
Tb1 O2 Tb1 102.7(2) 3_455 7_566 ?
C18 O3 Tb1 136.5(6) . 5_676 ?
C18 O4 Tb1 136.9(6) . 1_565 ?
C12 O5 Tb1 96.8(6) . . ?
C12 O6 Tb1 88.9(5) . . ?

_diffrn_measured_fraction_theta_max 0.976
_diffrn_reflns_theta_full        25.01
_diffrn_measured_fraction_theta_full 0.976
_refine_diff_density_max         1.890
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.200
