# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_150619g
_database_code_depnum_ccdc_archive 'CCDC 1448340'
_audit_update_record             
;
2016-01-19 deposited with the CCDC.
2016-07-26 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 H24 Cl6 Eu N3 O8'
_chemical_formula_weight         991.24

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'
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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7033(9)
_cell_length_b                   12.5536(11)
_cell_length_c                   13.3565(13)
_cell_angle_alpha                83.730(2)
_cell_angle_beta                 77.3790(10)
_cell_angle_gamma                74.2240(10)
_cell_volume                     1840.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1511
_cell_measurement_theta_min      2.385
_cell_measurement_theta_max      22.898

_exptl_crystal_description       Platy
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             980
_exptl_absorpt_coefficient_mu    2.197
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6096
_exptl_absorpt_correction_T_max  0.7784
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9278
_diffrn_reflns_av_R_equivalents  0.0700
_diffrn_reflns_av_sigmaI/netI    0.1843
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.39
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6341
_reflns_number_gt                3299
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0981P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6341
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1647
_refine_ls_R_factor_gt           0.0895
_refine_ls_wR_factor_ref         0.2428
_refine_ls_wR_factor_gt          0.2078
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_restrained_S_all      1.076
_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
Eu1 Eu 0.71130(7) 0.80235(7) 0.04434(6) 0.0346(3) Uani 1 1 d . . .
Cl1 Cl 0.9630(5) 0.7054(6) 0.3318(4) 0.103(2) Uani 1 1 d . . .
Cl2 Cl 0.7051(7) 0.6329(6) 0.6991(4) 0.113(2) Uani 1 1 d . . .
Cl3 Cl 0.9491(4) 0.8248(5) -0.3285(4) 0.0762(16) Uani 1 1 d . . .
Cl4 Cl 0.6927(6) 1.0602(6) -0.5963(4) 0.103(2) Uani 1 1 d . . .
Cl5 Cl 0.5593(4) 0.5477(4) 0.2230(4) 0.0742(15) Uani 1 1 d . . .
Cl6 Cl 0.2364(7) 0.6051(6) 0.5671(4) 0.125(3) Uani 1 1 d . . .
N1 N 0.8716(11) 0.8846(11) 0.0828(9) 0.042(3) Uani 1 1 d . . .
N2 N 0.9334(11) 0.7033(11) -0.0252(9) 0.042(3) Uani 1 1 d . . .
N3 N 0.7515(12) 0.6177(11) -0.0384(9) 0.042(3) Uani 1 1 d . . .
O1 O 0.7901(9) 0.6832(9) 0.1871(7) 0.046(3) Uani 1 1 d . . .
O2 O 0.6526(9) 0.8365(9) 0.2260(7) 0.044(3) Uani 1 1 d . . .
O3 O 0.7898(9) 0.8628(9) -0.1279(7) 0.043(3) Uani 1 1 d . . .
O4 O 0.6075(9) 0.8511(9) -0.1157(7) 0.044(3) Uani 1 1 d . . .
O5 O 0.5268(9) 0.7611(9) 0.1041(7) 0.042(3) Uani 1 1 d . . .
O6 O 0.3437(11) 0.8643(12) 0.1186(9) 0.076(4) Uani 1 1 d . . .
O7 O 0.6137(8) 0.9996(7) 0.0452(7) 0.032(2) Uani 1 1 d . . .
H7C H 0.5466 1.0391 0.0754 0.039 Uiso 1 1 d R . .
H7D H 0.6361 1.0345 -0.0101 0.039 Uiso 1 1 d R . .
O8 O 0.4089(19) 0.758(2) 0.8480(18) 0.181(10) Uani 1 1 d . . .
H8C H 0.4436 0.7964 0.8738 0.217 Uiso 1 1 d R . .
H8D H 0.4632 0.7158 0.8071 0.217 Uiso 1 1 d R . .
C1 C 0.7204(15) 0.7516(16) 0.2551(12) 0.045(4) Uani 1 1 d . . .
C2 C 0.7213(16) 0.7237(15) 0.3660(12) 0.051(5) Uani 1 1 d . . .
C3 C 0.8261(17) 0.6955(16) 0.4057(13) 0.057(5) Uani 1 1 d . . .
C4 C 0.8194(19) 0.6692(16) 0.5085(13) 0.063(5) Uani 1 1 d . . .
H4 H 0.8895 0.6511 0.5354 0.075 Uiso 1 1 calc R . .
C5 C 0.713(2) 0.6693(17) 0.5708(14) 0.066(5) Uani 1 1 d . . .
C6 C 0.6106(19) 0.7014(16) 0.5357(13) 0.062(5) Uani 1 1 d . . .
H6 H 0.5365 0.7071 0.5806 0.074 Uiso 1 1 calc R . .
C7 C 0.6150(17) 0.7268(15) 0.4293(12) 0.056(5) Uani 1 1 d . . .
H7 H 0.5440 0.7456 0.4035 0.067 Uiso 1 1 calc R . .
C8 C 0.7045(14) 0.8720(14) -0.1682(11) 0.042(4) Uani 1 1 d . . .
C9 C 0.7059(14) 0.9111(14) -0.2772(10) 0.042(4) Uani 1 1 d . . .
C10 C 0.8105(14) 0.8966(15) -0.3519(12) 0.048(4) Uani 1 1 d . . .
C11 C 0.8061(15) 0.9421(15) -0.4509(11) 0.050(5) Uani 1 1 d . . .
H11 H 0.8767 0.9327 -0.5009 0.060 Uiso 1 1 calc R . .
C12 C 0.6985(16) 1.0006(16) -0.4749(12) 0.054(5) Uani 1 1 d . . .
C13 C 0.5921(15) 1.0088(15) -0.4030(12) 0.052(5) Uani 1 1 d . . .
H13 H 0.5180 1.0432 -0.4213 0.062 Uiso 1 1 calc R . .
C14 C 0.5967(14) 0.9671(14) -0.3077(12) 0.049(4) Uani 1 1 d . . .
H14 H 0.5248 0.9754 -0.2594 0.058 Uiso 1 1 calc R . .
C15 C 0.4194(14) 0.7911(14) 0.1485(12) 0.041(4) Uani 1 1 d . . .
C16 C 0.3786(14) 0.7352(14) 0.2522(11) 0.043(4) Uani 1 1 d . . .
C17 C 0.4338(15) 0.6334(15) 0.2904(12) 0.048(4) Uani 1 1 d . . .
C18 C 0.3876(16) 0.5944(16) 0.3876(13) 0.058(5) Uani 1 1 d . . .
H18 H 0.4249 0.5245 0.4127 0.070 Uiso 1 1 calc R . .
C19 C 0.2883(18) 0.6577(17) 0.4462(13) 0.059(5) Uani 1 1 d . . .
C20 C 0.2301(17) 0.7544(17) 0.4109(13) 0.061(5) Uani 1 1 d . . .
H20 H 0.1594 0.7949 0.4508 0.073 Uiso 1 1 calc R . .
C21 C 0.2747(14) 0.7958(15) 0.3139(12) 0.050(4) Uani 1 1 d . . .
H21 H 0.2344 0.8651 0.2898 0.060 Uiso 1 1 calc R . .
C22 C 0.8365(15) 0.9649(14) 0.1497(12) 0.047(4) Uani 1 1 d . . .
H22 H 0.7546 0.9947 0.1751 0.056 Uiso 1 1 calc R . .
C23 C 0.9249(15) 1.0045(14) 0.1816(12) 0.049(4) Uani 1 1 d . . .
H23 H 0.9008 1.0610 0.2272 0.059 Uiso 1 1 calc R . .
C24 C 1.0425(15) 0.9606(15) 0.1463(12) 0.049(4) Uani 1 1 d . . .
H24 H 1.1007 0.9854 0.1679 0.058 Uiso 1 1 calc R . .
C25 C 1.0767(14) 0.8782(14) 0.0775(12) 0.047(4) Uani 1 1 d . . .
H25 H 1.1581 0.8463 0.0517 0.056 Uiso 1 1 calc R . .
C26 C 0.9876(14) 0.8446(14) 0.0481(11) 0.042(4) Uani 1 1 d . . .
C27 C 1.0206(14) 0.7530(14) -0.0259(11) 0.041(4) Uani 1 1 d . . .
C28 C 1.1320(14) 0.7241(15) -0.0867(12) 0.047(4) Uani 1 1 d . . .
H28 H 1.1900 0.7613 -0.0844 0.057 Uiso 1 1 calc R . .
C29 C 1.1580(15) 0.6414(15) -0.1504(13) 0.052(5) Uani 1 1 d . . .
H29 H 1.2327 0.6231 -0.1950 0.063 Uiso 1 1 calc R . .
C30 C 1.0744(14) 0.5851(15) -0.1487(12) 0.051(5) Uani 1 1 d . . .
H30 H 1.0930 0.5242 -0.1888 0.061 Uiso 1 1 calc R . .
C31 C 0.9583(13) 0.6192(14) -0.0858(11) 0.042(4) Uani 1 1 d . . .
C32 C 0.8645(13) 0.5691(14) -0.0920(12) 0.041(4) Uani 1 1 d . . .
C33 C 0.8856(16) 0.4639(14) -0.1256(12) 0.049(4) Uani 1 1 d . . .
H33 H 0.9645 0.4231 -0.1489 0.059 Uiso 1 1 calc R . .
C34 C 0.7923(16) 0.4205(15) -0.1247(12) 0.054(5) Uani 1 1 d . . .
H34 H 0.8067 0.3530 -0.1540 0.065 Uiso 1 1 calc R . .
C35 C 0.6754(16) 0.4747(14) -0.0810(12) 0.051(4) Uani 1 1 d . . .
H35 H 0.6099 0.4459 -0.0799 0.061 Uiso 1 1 calc R . .
C36 C 0.6614(14) 0.5750(14) -0.0386(11) 0.044(4) Uani 1 1 d . . .
H36 H 0.5837 0.6138 -0.0089 0.053 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O5 2.309(10) . ?
Eu1 O3 2.406(10) . ?
Eu1 O2 2.426(10) . ?
Eu1 O7 2.429(9) . ?
Eu1 O1 2.474(10) . ?
Eu1 N1 2.537(13) . ?
Eu1 N3 2.560(13) . ?
Eu1 N2 2.570(12) . ?
Eu1 O4 2.620(9) . ?
Cl1 C3 1.717(19) . ?
Cl2 C5 1.713(19) . ?
Cl3 C10 1.705(16) . ?
Cl4 C12 1.718(17) . ?
Cl5 C17 1.704(17) . ?
Cl6 C19 1.723(18) . ?
N1 C26 1.310(18) . ?
N1 C22 1.340(19) . ?
N2 C31 1.330(19) . ?
N2 C27 1.33(2) . ?
N3 C36 1.307(19) . ?
N3 C32 1.370(18) . ?
O1 C1 1.302(18) . ?
O2 C1 1.226(18) . ?
O3 C8 1.207(17) . ?
O4 C8 1.274(18) . ?
O5 C15 1.240(17) . ?
O6 C15 1.192(18) . ?
O7 H7C 0.8476 . ?
O7 H7D 0.8444 . ?
O8 H8C 0.8483 . ?
O8 H8D 0.8439 . ?
C1 C2 1.49(2) . ?
C2 C7 1.34(2) . ?
C2 C3 1.38(2) . ?
C3 C4 1.37(2) . ?
C4 C5 1.34(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.33(3) . ?
C6 C7 1.41(2) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.482(19) . ?
C9 C10 1.38(2) . ?
C9 C14 1.40(2) . ?
C10 C11 1.39(2) . ?
C11 C12 1.36(2) . ?
C11 H11 0.9300 . ?
C12 C13 1.38(2) . ?
C13 C14 1.33(2) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.52(2) . ?
C16 C17 1.36(2) . ?
C16 C21 1.39(2) . ?
C17 C18 1.38(2) . ?
C18 C19 1.35(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.31(2) . ?
C20 C21 1.39(2) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.42(2) . ?
C22 H22 0.9300 . ?
C23 C24 1.33(2) . ?
C23 H23 0.9300 . ?
C24 C25 1.38(2) . ?
C24 H24 0.9300 . ?
C25 C26 1.37(2) . ?
C25 H25 0.9300 . ?
C26 C27 1.51(2) . ?
C27 C28 1.36(2) . ?
C28 C29 1.34(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.35(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.41(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.43(2) . ?
C32 C33 1.38(2) . ?
C33 C34 1.34(2) . ?
C33 H33 0.9300 . ?
C34 C35 1.38(2) . ?
C34 H34 0.9300 . ?
C35 C36 1.39(2) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?

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
O5 Eu1 O3 127.0(3) . . ?
O5 Eu1 O2 72.6(3) . . ?
O3 Eu1 O2 148.9(4) . . ?
O5 Eu1 O7 90.9(3) . . ?
O3 Eu1 O7 78.7(3) . . ?
O2 Eu1 O7 77.0(3) . . ?
O5 Eu1 O1 89.2(3) . . ?
O3 Eu1 O1 137.8(3) . . ?
O2 Eu1 O1 52.7(3) . . ?
O7 Eu1 O1 126.9(3) . . ?
O5 Eu1 N1 146.7(4) . . ?
O3 Eu1 N1 81.4(4) . . ?
O2 Eu1 N1 74.5(4) . . ?
O7 Eu1 N1 77.1(4) . . ?
O1 Eu1 N1 74.5(4) . . ?
O5 Eu1 N3 79.6(4) . . ?
O3 Eu1 N3 82.9(4) . . ?
O2 Eu1 N3 127.3(4) . . ?
O7 Eu1 N3 148.1(3) . . ?
O1 Eu1 N3 83.7(4) . . ?
N1 Eu1 N3 125.6(4) . . ?
O5 Eu1 N2 139.4(4) . . ?
O3 Eu1 N2 65.6(4) . . ?
O2 Eu1 N2 117.7(4) . . ?
O7 Eu1 N2 129.1(4) . . ?
O1 Eu1 N2 72.6(4) . . ?
N1 Eu1 N2 63.1(4) . . ?
N3 Eu1 N2 62.9(4) . . ?
O5 Eu1 O4 76.8(3) . . ?
O3 Eu1 O4 50.4(3) . . ?
O2 Eu1 O4 136.5(3) . . ?
O7 Eu1 O4 73.3(3) . . ?
O1 Eu1 O4 156.1(4) . . ?
N1 Eu1 O4 126.9(4) . . ?
N3 Eu1 O4 74.8(4) . . ?
N2 Eu1 O4 105.7(3) . . ?
C26 N1 C22 118.7(14) . . ?
C26 N1 Eu1 122.8(11) . . ?
C22 N1 Eu1 118.2(10) . . ?
C31 N2 C27 118.0(13) . . ?
C31 N2 Eu1 119.4(10) . . ?
C27 N2 Eu1 119.9(10) . . ?
C36 N3 C32 119.3(14) . . ?
C36 N3 Eu1 119.9(10) . . ?
C32 N3 Eu1 120.5(10) . . ?
C1 O1 Eu1 92.1(9) . . ?
C1 O2 Eu1 96.4(10) . . ?
C8 O3 Eu1 101.0(10) . . ?
C8 O4 Eu1 88.8(9) . . ?
C15 O5 Eu1 148.7(11) . . ?
Eu1 O7 H7C 134.9 . . ?
Eu1 O7 H7D 113.0 . . ?
H7C O7 H7D 107.6 . . ?
H8C O8 H8D 107.0 . . ?
O2 C1 O1 118.8(14) . . ?
O2 C1 C2 121.4(15) . . ?
O1 C1 C2 119.7(15) . . ?
C7 C2 C3 119.4(16) . . ?
C7 C2 C1 117.5(16) . . ?
C3 C2 C1 123.1(16) . . ?
C4 C3 C2 119.5(18) . . ?
C4 C3 Cl1 118.4(15) . . ?
C2 C3 Cl1 121.8(14) . . ?
C5 C4 C3 120.7(19) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C6 C5 C4 120.9(19) . . ?
C6 C5 Cl2 118.4(17) . . ?
C4 C5 Cl2 120.7(17) . . ?
C5 C6 C7 119.5(18) . . ?
C5 C6 H6 120.3 . . ?
C7 C6 H6 120.3 . . ?
C2 C7 C6 119.8(17) . . ?
C2 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
O3 C8 O4 119.8(14) . . ?
O3 C8 C9 122.4(15) . . ?
O4 C8 C9 117.7(14) . . ?
C10 C9 C14 117.2(14) . . ?
C10 C9 C8 123.4(14) . . ?
C14 C9 C8 119.4(14) . . ?
C9 C10 C11 120.3(15) . . ?
C9 C10 Cl3 122.9(12) . . ?
C11 C10 Cl3 116.9(12) . . ?
C12 C11 C10 120.0(15) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.3(16) . . ?
C11 C12 Cl4 120.3(13) . . ?
C13 C12 Cl4 119.4(14) . . ?
C14 C13 C12 119.5(16) . . ?
C14 C13 H13 120.2 . . ?
C12 C13 H13 120.2 . . ?
C13 C14 C9 122.5(15) . . ?
C13 C14 H14 118.8 . . ?
C9 C14 H14 118.8 . . ?
O6 C15 O5 125.4(15) . . ?
O6 C15 C16 115.4(14) . . ?
O5 C15 C16 119.1(14) . . ?
C17 C16 C21 117.4(15) . . ?
C17 C16 C15 126.9(15) . . ?
C21 C16 C15 115.8(15) . . ?
C16 C17 C18 120.4(16) . . ?
C16 C17 Cl5 123.0(13) . . ?
C18 C17 Cl5 116.6(14) . . ?
C19 C18 C17 120.1(17) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C20 C19 C18 121.3(17) . . ?
C20 C19 Cl6 120.7(15) . . ?
C18 C19 Cl6 117.9(16) . . ?
C19 C20 C21 119.7(18) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C20 C21 C16 121.0(17) . . ?
C20 C21 H21 119.5 . . ?
C16 C21 H21 119.5 . . ?
N1 C22 C23 119.7(15) . . ?
N1 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 120.1(16) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 H23 119.9 . . ?
C23 C24 C25 119.3(16) . . ?
C23 C24 H24 120.4 . . ?
C25 C24 H24 120.4 . . ?
C26 C25 C24 118.1(15) . . ?
C26 C25 H25 120.9 . . ?
C24 C25 H25 120.9 . . ?
N1 C26 C25 124.0(16) . . ?
N1 C26 C27 115.8(14) . . ?
C25 C26 C27 120.1(14) . . ?
N2 C27 C28 123.4(16) . . ?
N2 C27 C26 115.2(13) . . ?
C28 C27 C26 121.4(16) . . ?
C29 C28 C27 119.5(17) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 119.1(16) . . ?
C28 C29 H29 120.4 . . ?
C30 C29 H29 120.4 . . ?
C29 C30 C31 119.6(17) . . ?
C29 C30 H30 120.2 . . ?
C31 C30 H30 120.2 . . ?
N2 C31 C30 120.2(16) . . ?
N2 C31 C32 119.3(14) . . ?
C30 C31 C32 120.3(15) . . ?
N3 C32 C33 118.5(15) . . ?
N3 C32 C31 115.8(13) . . ?
C33 C32 C31 123.7(15) . . ?
C34 C33 C32 120.2(17) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.9(18) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
C34 C35 C36 116.2(17) . . ?
C34 C35 H35 121.9 . . ?
C36 C35 H35 121.9 . . ?
N3 C36 C35 123.5(16) . . ?
N3 C36 H36 118.2 . . ?
C35 C36 H36 118.2 . . ?

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
O5 Eu1 N1 C26 144.2(10) . . . . ?
O3 Eu1 N1 C26 -64.1(11) . . . . ?
O2 Eu1 N1 C26 135.7(12) . . . . ?
O7 Eu1 N1 C26 -144.4(12) . . . . ?
O1 Eu1 N1 C26 80.9(12) . . . . ?
N3 Eu1 N1 C26 10.7(13) . . . . ?
N2 Eu1 N1 C26 2.9(11) . . . . ?
O4 Eu1 N1 C26 -87.1(12) . . . . ?
O5 Eu1 N1 C22 -28.9(15) . . . . ?
O3 Eu1 N1 C22 122.8(12) . . . . ?
O2 Eu1 N1 C22 -37.3(11) . . . . ?
O7 Eu1 N1 C22 42.5(11) . . . . ?
O1 Eu1 N1 C22 -92.2(11) . . . . ?
N3 Eu1 N1 C22 -162.4(10) . . . . ?
N2 Eu1 N1 C22 -170.2(13) . . . . ?
O4 Eu1 N1 C22 99.8(11) . . . . ?
O5 Eu1 N2 C31 37.5(14) . . . . ?
O3 Eu1 N2 C31 -81.7(12) . . . . ?
O2 Eu1 N2 C31 132.8(11) . . . . ?
O7 Eu1 N2 C31 -131.6(11) . . . . ?
O1 Eu1 N2 C31 104.6(12) . . . . ?
N1 Eu1 N2 C31 -174.3(13) . . . . ?
N3 Eu1 N2 C31 12.8(11) . . . . ?
O4 Eu1 N2 C31 -50.5(12) . . . . ?
O5 Eu1 N2 C27 -161.4(9) . . . . ?
O3 Eu1 N2 C27 79.4(11) . . . . ?
O2 Eu1 N2 C27 -66.1(12) . . . . ?
O7 Eu1 N2 C27 29.5(12) . . . . ?
O1 Eu1 N2 C27 -94.3(11) . . . . ?
N1 Eu1 N2 C27 -13.2(10) . . . . ?
N3 Eu1 N2 C27 173.9(12) . . . . ?
O4 Eu1 N2 C27 110.6(11) . . . . ?
O5 Eu1 N3 C36 12.3(11) . . . . ?
O3 Eu1 N3 C36 -117.5(11) . . . . ?
O2 Eu1 N3 C36 70.8(12) . . . . ?
O7 Eu1 N3 C36 -62.5(14) . . . . ?
O1 Eu1 N3 C36 102.7(11) . . . . ?
N1 Eu1 N3 C36 168.5(10) . . . . ?
N2 Eu1 N3 C36 176.3(12) . . . . ?
O4 Eu1 N3 C36 -66.7(11) . . . . ?
O5 Eu1 N3 C32 -174.7(11) . . . . ?
O3 Eu1 N3 C32 55.5(11) . . . . ?
O2 Eu1 N3 C32 -116.2(11) . . . . ?
O7 Eu1 N3 C32 110.5(11) . . . . ?
O1 Eu1 N3 C32 -84.4(11) . . . . ?
N1 Eu1 N3 C32 -18.6(13) . . . . ?
N2 Eu1 N3 C32 -10.8(10) . . . . ?
O4 Eu1 N3 C32 106.3(11) . . . . ?
O5 Eu1 O1 C1 -68.4(9) . . . . ?
O3 Eu1 O1 C1 139.8(9) . . . . ?
O2 Eu1 O1 C1 0.1(9) . . . . ?
O7 Eu1 O1 C1 22.1(10) . . . . ?
N1 Eu1 O1 C1 82.2(9) . . . . ?
N3 Eu1 O1 C1 -148.1(9) . . . . ?
N2 Eu1 O1 C1 148.4(10) . . . . ?
O4 Eu1 O1 C1 -122.0(10) . . . . ?
O5 Eu1 O2 C1 102.7(10) . . . . ?
O3 Eu1 O2 C1 -122.7(10) . . . . ?
O7 Eu1 O2 C1 -162.1(10) . . . . ?
O1 Eu1 O2 C1 -0.1(9) . . . . ?
N1 Eu1 O2 C1 -82.1(10) . . . . ?
N3 Eu1 O2 C1 41.1(11) . . . . ?
N2 Eu1 O2 C1 -34.6(11) . . . . ?
O4 Eu1 O2 C1 150.0(9) . . . . ?
O5 Eu1 O3 C8 4.6(12) . . . . ?
O2 Eu1 O3 C8 -117.0(11) . . . . ?
O7 Eu1 O3 C8 -77.9(10) . . . . ?
O1 Eu1 O3 C8 148.3(9) . . . . ?
N1 Eu1 O3 C8 -156.4(10) . . . . ?
N3 Eu1 O3 C8 75.9(10) . . . . ?
N2 Eu1 O3 C8 139.3(11) . . . . ?
O4 Eu1 O3 C8 -0.3(9) . . . . ?
O5 Eu1 O4 C8 -175.6(10) . . . . ?
O3 Eu1 O4 C8 0.3(9) . . . . ?
O2 Eu1 O4 C8 138.3(9) . . . . ?
O7 Eu1 O4 C8 89.3(9) . . . . ?
O1 Eu1 O4 C8 -119.9(11) . . . . ?
N1 Eu1 O4 C8 30.4(11) . . . . ?
N3 Eu1 O4 C8 -93.0(10) . . . . ?
N2 Eu1 O4 C8 -37.5(10) . . . . ?
O3 Eu1 O5 C15 -97.3(19) . . . . ?
O2 Eu1 O5 C15 55.3(19) . . . . ?
O7 Eu1 O5 C15 -20.7(19) . . . . ?
O1 Eu1 O5 C15 106.2(19) . . . . ?
N1 Eu1 O5 C15 47(2) . . . . ?
N3 Eu1 O5 C15 -170.0(19) . . . . ?
N2 Eu1 O5 C15 167.7(18) . . . . ?
O4 Eu1 O5 C15 -93.4(19) . . . . ?
Eu1 O2 C1 O1 0.1(16) . . . . ?
Eu1 O2 C1 C2 -177.8(13) . . . . ?
Eu1 O1 C1 O2 -0.1(15) . . . . ?
Eu1 O1 C1 C2 177.8(13) . . . . ?
O2 C1 C2 C7 51(2) . . . . ?
O1 C1 C2 C7 -126.9(18) . . . . ?
O2 C1 C2 C3 -128.9(19) . . . . ?
O1 C1 C2 C3 53(2) . . . . ?
C7 C2 C3 C4 1(3) . . . . ?
C1 C2 C3 C4 -178.9(17) . . . . ?
C7 C2 C3 Cl1 -172.3(15) . . . . ?
C1 C2 C3 Cl1 8(3) . . . . ?
C2 C3 C4 C5 1(3) . . . . ?
Cl1 C3 C4 C5 174.5(16) . . . . ?
C3 C4 C5 C6 -4(3) . . . . ?
C3 C4 C5 Cl2 178.3(15) . . . . ?
C4 C5 C6 C7 5(3) . . . . ?
Cl2 C5 C6 C7 -177.0(14) . . . . ?
C3 C2 C7 C6 0(3) . . . . ?
C1 C2 C7 C6 -179.8(16) . . . . ?
C5 C6 C7 C2 -3(3) . . . . ?
Eu1 O3 C8 O4 0.6(17) . . . . ?
Eu1 O3 C8 C9 178.4(13) . . . . ?
Eu1 O4 C8 O3 -0.5(16) . . . . ?
Eu1 O4 C8 C9 -178.4(13) . . . . ?
O3 C8 C9 C10 28(3) . . . . ?
O4 C8 C9 C10 -154.2(17) . . . . ?
O3 C8 C9 C14 -151.2(17) . . . . ?
O4 C8 C9 C14 27(2) . . . . ?
C14 C9 C10 C11 4(3) . . . . ?
C8 C9 C10 C11 -175.4(16) . . . . ?
C14 C9 C10 Cl3 -176.9(14) . . . . ?
C8 C9 C10 Cl3 4(3) . . . . ?
C9 C10 C11 C12 0(3) . . . . ?
Cl3 C10 C11 C12 -179.9(14) . . . . ?
C10 C11 C12 C13 -4(3) . . . . ?
C10 C11 C12 Cl4 178.4(14) . . . . ?
C11 C12 C13 C14 6(3) . . . . ?
Cl4 C12 C13 C14 -177.0(14) . . . . ?
C12 C13 C14 C9 -2(3) . . . . ?
C10 C9 C14 C13 -2(3) . . . . ?
C8 C9 C14 C13 176.8(16) . . . . ?
Eu1 O5 C15 O6 63(3) . . . . ?
Eu1 O5 C15 C16 -113.8(19) . . . . ?
O6 C15 C16 C17 160.8(17) . . . . ?
O5 C15 C16 C17 -22(3) . . . . ?
O6 C15 C16 C21 -20(2) . . . . ?
O5 C15 C16 C21 157.5(15) . . . . ?
C21 C16 C17 C18 -1(2) . . . . ?
C15 C16 C17 C18 178.4(16) . . . . ?
C21 C16 C17 Cl5 178.2(13) . . . . ?
C15 C16 C17 Cl5 -2(2) . . . . ?
C16 C17 C18 C19 -1(3) . . . . ?
Cl5 C17 C18 C19 179.8(15) . . . . ?
C17 C18 C19 C20 3(3) . . . . ?
C17 C18 C19 Cl6 -179.2(14) . . . . ?
C18 C19 C20 C21 -4(3) . . . . ?
Cl6 C19 C20 C21 179.0(14) . . . . ?
C19 C20 C21 C16 2(3) . . . . ?
C17 C16 C21 C20 1(3) . . . . ?
C15 C16 C21 C20 -178.7(15) . . . . ?
C26 N1 C22 C23 0(2) . . . . ?
Eu1 N1 C22 C23 173.2(11) . . . . ?
N1 C22 C23 C24 -1(2) . . . . ?
C22 C23 C24 C25 1(2) . . . . ?
C23 C24 C25 C26 0(2) . . . . ?
C22 N1 C26 C25 1(2) . . . . ?
Eu1 N1 C26 C25 -171.7(12) . . . . ?
C22 N1 C26 C27 179.1(14) . . . . ?
Eu1 N1 C26 C27 6.1(18) . . . . ?
C24 C25 C26 N1 -1(2) . . . . ?
C24 C25 C26 C27 -179.0(14) . . . . ?
C31 N2 C27 C28 2(2) . . . . ?
Eu1 N2 C27 C28 -159.7(12) . . . . ?
C31 N2 C27 C26 -177.5(13) . . . . ?
Eu1 N2 C27 C26 21.2(17) . . . . ?
N1 C26 C27 N2 -18(2) . . . . ?
C25 C26 C27 N2 160.0(14) . . . . ?
N1 C26 C27 C28 163.0(14) . . . . ?
C25 C26 C27 C28 -19(2) . . . . ?
N2 C27 C28 C29 0(2) . . . . ?
C26 C27 C28 C29 179.1(15) . . . . ?
C27 C28 C29 C30 -3(2) . . . . ?
C28 C29 C30 C31 5(2) . . . . ?
C27 N2 C31 C30 0(2) . . . . ?
Eu1 N2 C31 C30 161.2(11) . . . . ?
C27 N2 C31 C32 -175.8(14) . . . . ?
Eu1 N2 C31 C32 -14.4(19) . . . . ?
C29 C30 C31 N2 -3(2) . . . . ?
C29 C30 C31 C32 172.7(15) . . . . ?
C36 N3 C32 C33 -14(2) . . . . ?
Eu1 N3 C32 C33 173.0(11) . . . . ?
C36 N3 C32 C31 -178.6(14) . . . . ?
Eu1 N3 C32 C31 8.4(18) . . . . ?
N2 C31 C32 N3 4(2) . . . . ?
C30 C31 C32 N3 -171.6(14) . . . . ?
N2 C31 C32 C33 -159.6(15) . . . . ?
C30 C31 C32 C33 25(2) . . . . ?
N3 C32 C33 C34 14(2) . . . . ?
C31 C32 C33 C34 176.9(15) . . . . ?
C32 C33 C34 C35 -7(3) . . . . ?
C33 C34 C35 C36 0(2) . . . . ?
C32 N3 C36 C35 8(2) . . . . ?
Eu1 N3 C36 C35 -179.4(12) . . . . ?
C34 C35 C36 N3 0(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.977
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.977
_refine_diff_density_max         3.468
_refine_diff_density_min         -1.534
_refine_diff_density_rms         0.223
####################################################################### 
# 
# 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_150619b
_database_code_depnum_ccdc_archive 'CCDC 1448341'
_audit_update_record             
;
2016-01-19 deposited with the CCDC.
2016-07-26 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 H24 Cl6 N3 O8 Tb'
_chemical_formula_weight         998.20

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   11.7424(8)
_cell_length_b                   12.6760(12)
_cell_length_c                   13.4305(13)
_cell_angle_alpha                83.812(2)
_cell_angle_beta                 77.887(2)
_cell_angle_gamma                74.1320(10)
_cell_volume                     1877.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    3920
_cell_measurement_theta_min      2.343
_cell_measurement_theta_max      26.318

_exptl_crystal_description       Platy
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.766
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             984
_exptl_absorpt_coefficient_mu    2.367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4364
_exptl_absorpt_correction_T_max  0.7643
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9494
_diffrn_reflns_av_R_equivalents  0.0280
_diffrn_reflns_av_sigmaI/netI    0.0596
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.34
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6468
_reflns_number_gt                5276
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0334P)²+1.6744P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6468
_refine_ls_number_parameters     487
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0557
_refine_ls_R_factor_gt           0.0393
_refine_ls_wR_factor_ref         0.0917
_refine_ls_wR_factor_gt          0.0828
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_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
Tb1 Tb 0.71309(2) 0.80272(2) 0.044116(19) 0.02952(9) Uani 1 1 d . . .
Cl1 Cl 0.96660(18) 0.7044(2) 0.33038(16) 0.0991(8) Uani 1 1 d . . .
Cl2 Cl 0.7069(3) 0.63192(19) 0.69754(14) 0.1089(9) Uani 1 1 d . . .
Cl3 Cl 0.94903(14) 0.82210(16) -0.32680(13) 0.0693(5) Uani 1 1 d . . .
Cl4 Cl 0.6934(2) 1.0585(2) -0.59646(13) 0.0983(7) Uani 1 1 d . . .
Cl5 Cl 0.56102(15) 0.54803(13) 0.22221(14) 0.0673(5) Uani 1 1 d . . .
Cl6 Cl 0.2366(3) 0.60418(19) 0.56519(16) 0.1162(9) Uani 1 1 d . . .
N1 N 0.8708(4) 0.8870(3) 0.0827(3) 0.0334(10) Uani 1 1 d . . .
N2 N 0.9341(4) 0.7038(3) -0.0259(3) 0.0337(10) Uani 1 1 d . . .
N3 N 0.7495(4) 0.6222(3) -0.0391(3) 0.0348(10) Uani 1 1 d . . .
O1 O 0.7904(3) 0.6857(3) 0.1853(3) 0.0404(9) Uani 1 1 d . . .
O2 O 0.6560(3) 0.8416(3) 0.2259(3) 0.0407(9) Uani 1 1 d . . .
O3 O 0.7891(3) 0.8682(3) -0.1261(3) 0.0385(9) Uani 1 1 d . . .
O4 O 0.6061(3) 0.8506(3) -0.1148(3) 0.0386(9) Uani 1 1 d . . .
O5 O 0.5304(3) 0.7621(3) 0.1060(3) 0.0418(9) Uani 1 1 d . . .
O6 O 0.3466(4) 0.8690(4) 0.1174(4) 0.0768(15) Uani 1 1 d . . .
O7 O 0.6152(3) 0.9946(3) 0.0443(2) 0.0353(8) Uani 1 1 d . . .
H7C H 0.5481 1.0341 0.0746 0.042 Uiso 1 1 d R . .
H7D H 0.6376 1.0294 -0.0110 0.042 Uiso 1 1 d R . .
O8 O 0.4110(7) 0.7591(7) 0.8475(8) 0.188(4) Uani 1 1 d . . .
H8C H 0.4458 0.7974 0.8733 0.225 Uiso 1 1 d R . .
H8D H 0.4654 0.7168 0.8066 0.225 Uiso 1 1 d R . .
C1 C 0.7248(5) 0.7517(4) 0.2506(4) 0.0342(12) Uani 1 1 d . . .
C2 C 0.7248(5) 0.7241(4) 0.3622(4) 0.0389(13) Uani 1 1 d . . .
C3 C 0.8276(6) 0.6960(5) 0.4048(5) 0.0529(16) Uani 1 1 d . . .
C4 C 0.8238(8) 0.6677(5) 0.5086(5) 0.065(2) Uani 1 1 d . . .
H4 H 0.8935 0.6485 0.5361 0.079 Uiso 1 1 calc R . .
C5 C 0.7132(9) 0.6694(5) 0.5685(5) 0.065(2) Uani 1 1 d . . .
C6 C 0.6099(7) 0.7001(5) 0.5320(5) 0.0612(19) Uani 1 1 d . . .
H6 H 0.5360 0.7035 0.5751 0.073 Uiso 1 1 calc R . .
C7 C 0.6169(6) 0.7264(5) 0.4290(4) 0.0491(15) Uani 1 1 d . . .
H7 H 0.5459 0.7465 0.4032 0.059 Uiso 1 1 calc R . .
C8 C 0.7003(4) 0.8717(4) -0.1666(4) 0.0298(11) Uani 1 1 d . . .
C9 C 0.7045(5) 0.9103(4) -0.2763(4) 0.0321(12) Uani 1 1 d . . .
C10 C 0.8096(5) 0.8976(4) -0.3508(4) 0.0405(13) Uani 1 1 d . . .
C11 C 0.8062(6) 0.9407(5) -0.4487(4) 0.0525(16) Uani 1 1 d . . .
H11 H 0.8768 0.9316 -0.4974 0.063 Uiso 1 1 calc R . .
C12 C 0.6970(6) 0.9978(5) -0.4743(4) 0.0526(16) Uani 1 1 d . . .
C13 C 0.5915(6) 1.0098(5) -0.4037(4) 0.0490(15) Uani 1 1 d . . .
H13 H 0.5180 1.0467 -0.4218 0.059 Uiso 1 1 calc R . .
C14 C 0.5965(5) 0.9663(4) -0.3060(4) 0.0395(13) Uani 1 1 d . . .
H14 H 0.5252 0.9745 -0.2581 0.047 Uiso 1 1 calc R . .
C15 C 0.4223(5) 0.7932(4) 0.1503(4) 0.0357(13) Uani 1 1 d . . .
C16 C 0.3805(4) 0.7372(4) 0.2514(4) 0.0327(12) Uani 1 1 d . . .
C17 C 0.4346(5) 0.6343(4) 0.2900(4) 0.0397(13) Uani 1 1 d . . .
C18 C 0.3902(6) 0.5937(5) 0.3860(5) 0.0504(16) Uani 1 1 d . . .
H18 H 0.4287 0.5244 0.4102 0.061 Uiso 1 1 calc R . .
C19 C 0.2900(7) 0.6556(6) 0.4451(5) 0.0612(18) Uani 1 1 d . . .
C20 C 0.2316(6) 0.7578(5) 0.4096(5) 0.0589(18) Uani 1 1 d . . .
H20 H 0.1627 0.7996 0.4492 0.071 Uiso 1 1 calc R . .
C21 C 0.2777(5) 0.7973(4) 0.3134(4) 0.0465(15) Uani 1 1 d . . .
H21 H 0.2385 0.8665 0.2895 0.056 Uiso 1 1 calc R . .
C22 C 0.8404(5) 0.9672(4) 0.1477(4) 0.0402(13) Uani 1 1 d . . .
H22 H 0.7589 0.9979 0.1719 0.048 Uiso 1 1 calc R . .
C23 C 0.9234(6) 1.0067(5) 0.1804(4) 0.0460(15) Uani 1 1 d . . .
H23 H 0.8984 1.0627 0.2258 0.055 Uiso 1 1 calc R . .
C24 C 1.0439(6) 0.9621(5) 0.1452(5) 0.0517(16) Uani 1 1 d . . .
H24 H 1.1019 0.9873 0.1662 0.062 Uiso 1 1 calc R . .
C25 C 1.0774(5) 0.8795(5) 0.0782(5) 0.0463(15) Uani 1 1 d . . .
H25 H 1.1585 0.8479 0.0535 0.056 Uiso 1 1 calc R . .
C26 C 0.9891(4) 0.8436(4) 0.0477(4) 0.0339(12) Uani 1 1 d . . .
C27 C 1.0211(5) 0.7546(4) -0.0245(4) 0.0363(13) Uani 1 1 d . . .
C28 C 1.1331(5) 0.7241(5) -0.0862(5) 0.0465(15) Uani 1 1 d . . .
H28 H 1.1908 0.7615 -0.0854 0.056 Uiso 1 1 calc R . .
C29 C 1.1595(5) 0.6387(5) -0.1488(5) 0.0568(18) Uani 1 1 d . . .
H29 H 1.2344 0.6184 -0.1914 0.068 Uiso 1 1 calc R . .
C30 C 1.0729(5) 0.5834(5) -0.1473(5) 0.0504(16) Uani 1 1 d . . .
H30 H 1.0894 0.5237 -0.1874 0.060 Uiso 1 1 calc R . .
C31 C 0.9603(5) 0.6183(4) -0.0849(4) 0.0344(12) Uani 1 1 d . . .
C32 C 0.8623(5) 0.5669(4) -0.0852(4) 0.0354(13) Uani 1 1 d . . .
C33 C 0.8820(6) 0.4661(5) -0.1252(4) 0.0496(15) Uani 1 1 d . . .
H33 H 0.9599 0.4276 -0.1529 0.060 Uiso 1 1 calc R . .
C34 C 0.7867(6) 0.4227(5) -0.1241(5) 0.0544(17) Uani 1 1 d . . .
H34 H 0.7993 0.3559 -0.1528 0.065 Uiso 1 1 calc R . .
C35 C 0.6737(6) 0.4782(5) -0.0805(5) 0.0530(16) Uani 1 1 d . . .
H35 H 0.6079 0.4501 -0.0786 0.064 Uiso 1 1 calc R . .
C36 C 0.6590(5) 0.5776(5) -0.0391(4) 0.0444(14) Uani 1 1 d . . .
H36 H 0.5816 0.6154 -0.0096 0.053 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O5 2.306(3) . ?
Tb1 O7 2.389(3) . ?
Tb1 O3 2.418(3) . ?
Tb1 O1 2.449(4) . ?
Tb1 O2 2.459(4) . ?
Tb1 N1 2.539(4) . ?
Tb1 N3 2.547(4) . ?
Tb1 N2 2.577(4) . ?
Tb1 O4 2.633(4) . ?
Tb1 C1 2.802(5) . ?
Tb1 C8 2.893(5) . ?
Cl1 C3 1.750(7) . ?
Cl2 C5 1.738(7) . ?
Cl3 C10 1.732(6) . ?
Cl4 C12 1.740(6) . ?
Cl5 C17 1.728(6) . ?
Cl6 C19 1.730(6) . ?
N1 C22 1.336(6) . ?
N1 C26 1.347(6) . ?
N2 C31 1.341(6) . ?
N2 C27 1.352(6) . ?
N3 C36 1.333(7) . ?
N3 C32 1.368(6) . ?
O1 C1 1.259(6) . ?
O2 C1 1.261(6) . ?
O3 C8 1.261(6) . ?
O4 C8 1.257(6) . ?
O5 C15 1.258(6) . ?
O6 C15 1.230(6) . ?
O7 H7C 0.8542 . ?
O7 H7D 0.8526 . ?
O8 H8C 0.8525 . ?
O8 H8D 0.8515 . ?
C1 C2 1.501(7) . ?
C2 C7 1.386(8) . ?
C2 C3 1.387(8) . ?
C3 C4 1.396(9) . ?
C4 C5 1.372(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.347(10) . ?
C6 C7 1.378(8) . ?
C6 H6 0.9300 . ?
C7 H7 0.9300 . ?
C8 C9 1.497(7) . ?
C9 C14 1.389(7) . ?
C9 C10 1.399(7) . ?
C10 C11 1.373(8) . ?
C11 C12 1.382(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.375(8) . ?
C13 C14 1.374(7) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.514(7) . ?
C16 C17 1.383(7) . ?
C16 C21 1.394(7) . ?
C17 C18 1.386(8) . ?
C18 C19 1.366(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.377(9) . ?
C20 C21 1.388(8) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.375(7) . ?
C22 H22 0.9300 . ?
C23 C24 1.373(8) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(8) . ?
C24 H24 0.9300 . ?
C25 C26 1.388(7) . ?
C25 H25 0.9300 . ?
C26 C27 1.485(7) . ?
C27 C28 1.378(7) . ?
C28 C29 1.369(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.380(8) . ?
C29 H29 0.9300 . ?
C30 C31 1.393(7) . ?
C30 H30 0.9300 . ?
C31 C32 1.471(7) . ?
C32 C33 1.381(7) . ?
C33 C34 1.372(8) . ?
C33 H33 0.9300 . ?
C34 C35 1.361(9) . ?
C34 H34 0.9300 . ?
C35 C36 1.385(8) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?

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
O5 Tb1 O7 90.33(12) . . ?
O5 Tb1 O3 128.41(13) . . ?
O7 Tb1 O3 77.29(12) . . ?
O5 Tb1 O1 87.97(13) . . ?
O7 Tb1 O1 127.18(11) . . ?
O3 Tb1 O1 138.78(12) . . ?
O5 Tb1 O2 72.44(13) . . ?
O7 Tb1 O2 75.94(11) . . ?
O3 Tb1 O2 145.94(12) . . ?
O1 Tb1 O2 53.39(11) . . ?
O5 Tb1 N1 145.46(13) . . ?
O7 Tb1 N1 76.86(13) . . ?
O3 Tb1 N1 80.38(13) . . ?
O1 Tb1 N1 75.43(13) . . ?
O2 Tb1 N1 73.35(12) . . ?
O5 Tb1 N3 79.70(13) . . ?
O7 Tb1 N3 146.61(13) . . ?
O3 Tb1 N3 84.15(12) . . ?
O1 Tb1 N3 84.58(12) . . ?
O2 Tb1 N3 129.15(12) . . ?
N1 Tb1 N3 127.24(14) . . ?
O5 Tb1 N2 139.46(13) . . ?
O7 Tb1 N2 129.70(12) . . ?
O3 Tb1 N2 66.23(12) . . ?
O1 Tb1 N2 73.28(12) . . ?
O2 Tb1 N2 118.18(13) . . ?
N1 Tb1 N2 64.25(13) . . ?
N3 Tb1 N2 63.31(13) . . ?
O5 Tb1 O4 77.20(12) . . ?
O7 Tb1 O4 72.96(11) . . ?
O3 Tb1 O4 51.24(11) . . ?
O1 Tb1 O4 155.51(11) . . ?
O2 Tb1 O4 135.87(11) . . ?
N1 Tb1 O4 127.01(12) . . ?
N3 Tb1 O4 73.76(12) . . ?
N2 Tb1 O4 105.74(12) . . ?
O5 Tb1 C1 78.71(14) . . ?
O7 Tb1 C1 101.81(13) . . ?
O3 Tb1 C1 152.64(14) . . ?
O1 Tb1 C1 26.67(13) . . ?
O2 Tb1 C1 26.72(13) . . ?
N1 Tb1 C1 72.92(14) . . ?
N3 Tb1 C1 107.23(14) . . ?
N2 Tb1 C1 96.14(15) . . ?
O4 Tb1 C1 155.27(13) . . ?
O5 Tb1 C8 102.89(14) . . ?
O7 Tb1 C8 74.41(12) . . ?
O3 Tb1 C8 25.52(12) . . ?
O1 Tb1 C8 156.31(13) . . ?
O2 Tb1 C8 149.95(13) . . ?
N1 Tb1 C8 104.22(14) . . ?
N3 Tb1 C8 76.90(13) . . ?
N2 Tb1 C8 85.15(13) . . ?
O4 Tb1 C8 25.75(12) . . ?
C1 Tb1 C8 175.83(14) . . ?
C22 N1 C26 117.8(5) . . ?
C22 N1 Tb1 120.9(3) . . ?
C26 N1 Tb1 120.8(3) . . ?
C31 N2 C27 118.8(4) . . ?
C31 N2 Tb1 120.5(3) . . ?
C27 N2 Tb1 118.7(3) . . ?
C36 N3 C32 117.3(5) . . ?
C36 N3 Tb1 121.2(4) . . ?
C32 N3 Tb1 121.6(3) . . ?
C1 O1 Tb1 92.5(3) . . ?
C1 O2 Tb1 92.0(3) . . ?
C8 O3 Tb1 98.8(3) . . ?
C8 O4 Tb1 88.8(3) . . ?
C15 O5 Tb1 148.6(3) . . ?
Tb1 O7 H7C 135.3 . . ?
Tb1 O7 H7D 112.9 . . ?
H7C O7 H7D 107.8 . . ?
H8C O8 H8D 107.1 . . ?
O1 C1 O2 122.1(5) . . ?
O1 C1 C2 120.4(5) . . ?
O2 C1 C2 117.6(5) . . ?
O1 C1 Tb1 60.8(3) . . ?
O2 C1 Tb1 61.3(3) . . ?
C2 C1 Tb1 177.2(4) . . ?
C7 C2 C3 116.3(5) . . ?
C7 C2 C1 119.6(5) . . ?
C3 C2 C1 124.1(5) . . ?
C2 C3 C4 122.1(6) . . ?
C2 C3 Cl1 120.3(5) . . ?
C4 C3 Cl1 117.4(6) . . ?
C5 C4 C3 117.5(7) . . ?
C5 C4 H4 121.3 . . ?
C3 C4 H4 121.3 . . ?
C6 C5 C4 122.9(6) . . ?
C6 C5 Cl2 118.9(6) . . ?
C4 C5 Cl2 118.2(6) . . ?
C5 C6 C7 118.1(7) . . ?
C5 C6 H6 120.9 . . ?
C7 C6 H6 120.9 . . ?
C6 C7 C2 122.9(7) . . ?
C6 C7 H7 118.5 . . ?
C2 C7 H7 118.5 . . ?
O4 C8 O3 121.1(5) . . ?
O4 C8 C9 119.8(5) . . ?
O3 C8 C9 119.0(4) . . ?
O4 C8 Tb1 65.5(3) . . ?
O3 C8 Tb1 55.7(3) . . ?
C9 C8 Tb1 174.7(4) . . ?
C14 C9 C10 117.4(5) . . ?
C14 C9 C8 117.7(4) . . ?
C10 C9 C8 124.9(5) . . ?
C11 C10 C9 121.2(5) . . ?
C11 C10 Cl3 116.4(4) . . ?
C9 C10 Cl3 122.3(4) . . ?
C10 C11 C12 119.4(5) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 121.0(5) . . ?
C13 C12 Cl4 119.5(5) . . ?
C11 C12 Cl4 119.5(5) . . ?
C14 C13 C12 118.9(6) . . ?
C14 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C13 C14 C9 122.1(5) . . ?
C13 C14 H14 118.9 . . ?
C9 C14 H14 118.9 . . ?
O6 C15 O5 124.0(5) . . ?
O6 C15 C16 116.6(5) . . ?
O5 C15 C16 119.4(5) . . ?
C17 C16 C21 116.5(5) . . ?
C17 C16 C15 127.2(5) . . ?
C21 C16 C15 116.2(5) . . ?
C16 C17 C18 121.8(5) . . ?
C16 C17 Cl5 122.6(4) . . ?
C18 C17 Cl5 115.7(4) . . ?
C19 C18 C17 120.0(6) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 120.5(6) . . ?
C18 C19 Cl6 119.4(5) . . ?
C20 C19 Cl6 120.1(5) . . ?
C19 C20 C21 118.7(6) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
C20 C21 C16 122.5(5) . . ?
C20 C21 H21 118.8 . . ?
C16 C21 H21 118.8 . . ?
N1 C22 C23 123.2(5) . . ?
N1 C22 H22 118.4 . . ?
C23 C22 H22 118.4 . . ?
C24 C23 C22 118.9(6) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C23 C24 C25 118.9(6) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
C24 C25 C26 119.4(5) . . ?
C24 C25 H25 120.3 . . ?
C26 C25 H25 120.3 . . ?
N1 C26 C25 121.7(5) . . ?
N1 C26 C27 117.0(5) . . ?
C25 C26 C27 121.3(5) . . ?
N2 C27 C28 121.4(5) . . ?
N2 C27 C26 116.2(4) . . ?
C28 C27 C26 122.4(5) . . ?
C29 C28 C27 120.1(6) . . ?
C29 C28 H28 119.9 . . ?
C27 C28 H28 119.9 . . ?
C28 C29 C30 118.7(5) . . ?
C28 C29 H29 120.6 . . ?
C30 C29 H29 120.6 . . ?
C29 C30 C31 119.1(6) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
N2 C31 C30 121.8(5) . . ?
N2 C31 C32 116.8(4) . . ?
C30 C31 C32 121.3(5) . . ?
N3 C32 C33 121.0(5) . . ?
N3 C32 C31 116.2(4) . . ?
C33 C32 C31 122.7(5) . . ?
C34 C33 C32 120.0(6) . . ?
C34 C33 H33 120.0 . . ?
C32 C33 H33 120.0 . . ?
C35 C34 C33 119.4(6) . . ?
C35 C34 H34 120.3 . . ?
C33 C34 H34 120.3 . . ?
C34 C35 C36 118.3(6) . . ?
C34 C35 H35 120.8 . . ?
C36 C35 H35 120.8 . . ?
N3 C36 C35 123.8(6) . . ?
N3 C36 H36 118.1 . . ?
C35 C36 H36 118.1 . . ?

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
O5 Tb1 N1 C22 -28.6(5) . . . . ?
O7 Tb1 N1 C22 42.2(4) . . . . ?
O3 Tb1 N1 C22 121.3(4) . . . . ?
O1 Tb1 N1 C22 -92.4(4) . . . . ?
O2 Tb1 N1 C22 -36.8(4) . . . . ?
N3 Tb1 N1 C22 -163.7(4) . . . . ?
N2 Tb1 N1 C22 -170.6(4) . . . . ?
O4 Tb1 N1 C22 98.7(4) . . . . ?
C1 Tb1 N1 C22 -64.7(4) . . . . ?
C8 Tb1 N1 C22 112.1(4) . . . . ?
O5 Tb1 N1 C26 143.6(3) . . . . ?
O7 Tb1 N1 C26 -145.6(4) . . . . ?
O3 Tb1 N1 C26 -66.5(4) . . . . ?
O1 Tb1 N1 C26 79.8(4) . . . . ?
O2 Tb1 N1 C26 135.4(4) . . . . ?
N3 Tb1 N1 C26 8.5(4) . . . . ?
N2 Tb1 N1 C26 1.6(3) . . . . ?
O4 Tb1 N1 C26 -89.2(4) . . . . ?
C1 Tb1 N1 C26 107.4(4) . . . . ?
C8 Tb1 N1 C26 -75.7(4) . . . . ?
O5 Tb1 N2 C31 37.1(5) . . . . ?
O7 Tb1 N2 C31 -132.1(3) . . . . ?
O3 Tb1 N2 C31 -84.8(4) . . . . ?
O1 Tb1 N2 C31 103.1(4) . . . . ?
O2 Tb1 N2 C31 132.9(3) . . . . ?
N1 Tb1 N2 C31 -175.4(4) . . . . ?
N3 Tb1 N2 C31 10.7(3) . . . . ?
O4 Tb1 N2 C31 -51.4(4) . . . . ?
C1 Tb1 N2 C31 116.9(4) . . . . ?
C8 Tb1 N2 C31 -67.0(4) . . . . ?
O5 Tb1 N2 C27 -159.3(3) . . . . ?
O7 Tb1 N2 C27 31.4(4) . . . . ?
O3 Tb1 N2 C27 78.7(4) . . . . ?
O1 Tb1 N2 C27 -93.4(4) . . . . ?
O2 Tb1 N2 C27 -63.6(4) . . . . ?
N1 Tb1 N2 C27 -11.8(3) . . . . ?
N3 Tb1 N2 C27 174.3(4) . . . . ?
O4 Tb1 N2 C27 112.1(4) . . . . ?
C1 Tb1 N2 C27 -79.5(4) . . . . ?
C8 Tb1 N2 C27 96.5(4) . . . . ?
O5 Tb1 N3 C36 12.1(4) . . . . ?
O7 Tb1 N3 C36 -62.5(5) . . . . ?
O3 Tb1 N3 C36 -118.7(4) . . . . ?
O1 Tb1 N3 C36 101.0(4) . . . . ?
O2 Tb1 N3 C36 69.2(4) . . . . ?
N1 Tb1 N3 C36 168.1(4) . . . . ?
N2 Tb1 N3 C36 175.0(4) . . . . ?
O4 Tb1 N3 C36 -67.4(4) . . . . ?
C1 Tb1 N3 C36 86.8(4) . . . . ?
C8 Tb1 N3 C36 -93.8(4) . . . . ?
O5 Tb1 N3 C32 -167.6(4) . . . . ?
O7 Tb1 N3 C32 117.7(4) . . . . ?
O3 Tb1 N3 C32 61.6(4) . . . . ?
O1 Tb1 N3 C32 -78.7(4) . . . . ?
O2 Tb1 N3 C32 -110.5(4) . . . . ?
N1 Tb1 N3 C32 -11.6(4) . . . . ?
N2 Tb1 N3 C32 -4.7(4) . . . . ?
O4 Tb1 N3 C32 112.9(4) . . . . ?
C1 Tb1 N3 C32 -93.0(4) . . . . ?
C8 Tb1 N3 C32 86.4(4) . . . . ?
O5 Tb1 O1 C1 -68.5(3) . . . . ?
O7 Tb1 O1 C1 20.4(3) . . . . ?
O3 Tb1 O1 C1 136.9(3) . . . . ?
O2 Tb1 O1 C1 1.0(3) . . . . ?
N1 Tb1 O1 C1 80.9(3) . . . . ?
N3 Tb1 O1 C1 -148.4(3) . . . . ?
N2 Tb1 O1 C1 147.9(3) . . . . ?
O4 Tb1 O1 C1 -120.7(3) . . . . ?
C8 Tb1 O1 C1 173.1(3) . . . . ?
O5 Tb1 O2 C1 99.9(3) . . . . ?
O7 Tb1 O2 C1 -165.2(3) . . . . ?
O3 Tb1 O2 C1 -126.0(3) . . . . ?
O1 Tb1 O2 C1 -1.0(3) . . . . ?
N1 Tb1 O2 C1 -85.0(3) . . . . ?
N3 Tb1 O2 C1 39.8(3) . . . . ?
N2 Tb1 O2 C1 -37.4(3) . . . . ?
O4 Tb1 O2 C1 148.6(3) . . . . ?
C8 Tb1 O2 C1 -174.7(3) . . . . ?
O5 Tb1 O3 C8 -0.2(3) . . . . ?
O7 Tb1 O3 C8 -80.4(3) . . . . ?
O1 Tb1 O3 C8 146.6(3) . . . . ?
O2 Tb1 O3 C8 -119.3(3) . . . . ?
N1 Tb1 O3 C8 -159.0(3) . . . . ?
N3 Tb1 O3 C8 71.7(3) . . . . ?
N2 Tb1 O3 C8 135.1(3) . . . . ?
O4 Tb1 O3 C8 -2.2(3) . . . . ?
C1 Tb1 O3 C8 -171.6(3) . . . . ?
O5 Tb1 O4 C8 -176.3(3) . . . . ?
O7 Tb1 O4 C8 89.3(3) . . . . ?
O3 Tb1 O4 C8 2.1(3) . . . . ?
O1 Tb1 O4 C8 -122.2(3) . . . . ?
O2 Tb1 O4 C8 136.4(3) . . . . ?
N1 Tb1 O4 C8 31.3(3) . . . . ?
N3 Tb1 O4 C8 -93.5(3) . . . . ?
N2 Tb1 O4 C8 -38.1(3) . . . . ?
C1 Tb1 O4 C8 170.5(3) . . . . ?
O7 Tb1 O5 C15 -19.2(7) . . . . ?
O3 Tb1 O5 C15 -93.2(7) . . . . ?
O1 Tb1 O5 C15 108.0(7) . . . . ?
O2 Tb1 O5 C15 55.9(7) . . . . ?
N1 Tb1 O5 C15 47.7(8) . . . . ?
N3 Tb1 O5 C15 -167.1(7) . . . . ?
N2 Tb1 O5 C15 169.0(6) . . . . ?
O4 Tb1 O5 C15 -91.6(7) . . . . ?
C1 Tb1 O5 C15 82.8(7) . . . . ?
C8 Tb1 O5 C15 -93.3(7) . . . . ?
Tb1 O1 C1 O2 -1.8(5) . . . . ?
Tb1 O1 C1 C2 177.1(4) . . . . ?
Tb1 O2 C1 O1 1.8(5) . . . . ?
Tb1 O2 C1 C2 -177.1(4) . . . . ?
O5 Tb1 C1 O1 108.5(3) . . . . ?
O7 Tb1 C1 O1 -163.6(3) . . . . ?
O3 Tb1 C1 O1 -78.4(4) . . . . ?
O2 Tb1 C1 O1 -178.2(5) . . . . ?
N1 Tb1 C1 O1 -91.4(3) . . . . ?
N3 Tb1 C1 O1 33.1(3) . . . . ?
N2 Tb1 C1 O1 -30.8(3) . . . . ?
O4 Tb1 C1 O1 121.6(4) . . . . ?
C8 Tb1 C1 O1 -138.6(19) . . . . ?
O5 Tb1 C1 O2 -73.3(3) . . . . ?
O7 Tb1 C1 O2 14.7(3) . . . . ?
O3 Tb1 C1 O2 99.8(4) . . . . ?
O1 Tb1 C1 O2 178.2(5) . . . . ?
N1 Tb1 C1 O2 86.8(3) . . . . ?
N3 Tb1 C1 O2 -148.7(3) . . . . ?
N2 Tb1 C1 O2 147.4(3) . . . . ?
O4 Tb1 C1 O2 -60.2(4) . . . . ?
C8 Tb1 C1 O2 40(2) . . . . ?
O5 Tb1 C1 C2 -8(8) . . . . ?
O7 Tb1 C1 C2 80(8) . . . . ?
O3 Tb1 C1 C2 166(8) . . . . ?
O1 Tb1 C1 C2 -116(8) . . . . ?
O2 Tb1 C1 C2 66(8) . . . . ?
N1 Tb1 C1 C2 153(8) . . . . ?
N3 Tb1 C1 C2 -83(8) . . . . ?
N2 Tb1 C1 C2 -147(8) . . . . ?
O4 Tb1 C1 C2 6(8) . . . . ?
C8 Tb1 C1 C2 105(8) . . . . ?
O1 C1 C2 C7 -125.6(6) . . . . ?
O2 C1 C2 C7 53.4(7) . . . . ?
Tb1 C1 C2 C7 -11(8) . . . . ?
O1 C1 C2 C3 54.6(8) . . . . ?
O2 C1 C2 C3 -126.4(6) . . . . ?
Tb1 C1 C2 C3 169(7) . . . . ?
C7 C2 C3 C4 2.1(9) . . . . ?
C1 C2 C3 C4 -178.0(6) . . . . ?
C7 C2 C3 Cl1 -173.3(4) . . . . ?
C1 C2 C3 Cl1 6.6(8) . . . . ?
C2 C3 C4 C5 -0.5(10) . . . . ?
Cl1 C3 C4 C5 175.0(5) . . . . ?
C3 C4 C5 C6 -2.1(10) . . . . ?
C3 C4 C5 Cl2 178.8(5) . . . . ?
C4 C5 C6 C7 2.8(11) . . . . ?
Cl2 C5 C6 C7 -178.1(4) . . . . ?
C5 C6 C7 C2 -1.0(10) . . . . ?
C3 C2 C7 C6 -1.4(9) . . . . ?
C1 C2 C7 C6 178.8(5) . . . . ?
Tb1 O4 C8 O3 -3.7(5) . . . . ?
Tb1 O4 C8 C9 -178.8(4) . . . . ?
Tb1 O3 C8 O4 4.1(5) . . . . ?
Tb1 O3 C8 C9 179.3(4) . . . . ?
O5 Tb1 C8 O4 3.7(3) . . . . ?
O7 Tb1 C8 O4 -83.0(3) . . . . ?
O3 Tb1 C8 O4 -176.1(5) . . . . ?
O1 Tb1 C8 O4 119.2(4) . . . . ?
O2 Tb1 C8 O4 -73.5(4) . . . . ?
N1 Tb1 C8 O4 -154.7(3) . . . . ?
N3 Tb1 C8 O4 79.7(3) . . . . ?
N2 Tb1 C8 O4 143.4(3) . . . . ?
C1 Tb1 C8 O4 -108(2) . . . . ?
O5 Tb1 C8 O3 179.8(3) . . . . ?
O7 Tb1 C8 O3 93.1(3) . . . . ?
O1 Tb1 C8 O3 -64.7(5) . . . . ?
O2 Tb1 C8 O3 102.7(4) . . . . ?
N1 Tb1 C8 O3 21.4(3) . . . . ?
N3 Tb1 C8 O3 -104.2(3) . . . . ?
N2 Tb1 C8 O3 -40.5(3) . . . . ?
O4 Tb1 C8 O3 176.1(5) . . . . ?
C1 Tb1 C8 O3 68(2) . . . . ?
O5 Tb1 C8 C9 173(4) . . . . ?
O7 Tb1 C8 C9 86(4) . . . . ?
O3 Tb1 C8 C9 -7(3) . . . . ?
O1 Tb1 C8 C9 -72(4) . . . . ?
O2 Tb1 C8 C9 96(4) . . . . ?
N1 Tb1 C8 C9 14(4) . . . . ?
N3 Tb1 C8 C9 -111(4) . . . . ?
N2 Tb1 C8 C9 -47(4) . . . . ?
O4 Tb1 C8 C9 169(4) . . . . ?
C1 Tb1 C8 C9 61(5) . . . . ?
O4 C8 C9 C14 27.5(7) . . . . ?
O3 C8 C9 C14 -147.7(5) . . . . ?
Tb1 C8 C9 C14 -141(3) . . . . ?
O4 C8 C9 C10 -154.7(5) . . . . ?
O3 C8 C9 C10 30.1(7) . . . . ?
Tb1 C8 C9 C10 37(4) . . . . ?
C14 C9 C10 C11 1.3(8) . . . . ?
C8 C9 C10 C11 -176.5(5) . . . . ?
C14 C9 C10 Cl3 -175.7(4) . . . . ?
C8 C9 C10 Cl3 6.6(7) . . . . ?
C9 C10 C11 C12 0.1(9) . . . . ?
Cl3 C10 C11 C12 177.2(5) . . . . ?
C10 C11 C12 C13 -1.5(10) . . . . ?
C10 C11 C12 Cl4 176.7(5) . . . . ?
C11 C12 C13 C14 1.6(10) . . . . ?
Cl4 C12 C13 C14 -176.7(5) . . . . ?
C12 C13 C14 C9 -0.2(9) . . . . ?
C10 C9 C14 C13 -1.2(8) . . . . ?
C8 C9 C14 C13 176.7(5) . . . . ?
Tb1 O5 C15 O6 61.2(10) . . . . ?
Tb1 O5 C15 C16 -117.6(6) . . . . ?
O6 C15 C16 C17 160.4(6) . . . . ?
O5 C15 C16 C17 -20.8(8) . . . . ?
O6 C15 C16 C21 -21.4(7) . . . . ?
O5 C15 C16 C21 157.4(5) . . . . ?
C21 C16 C17 C18 -1.0(8) . . . . ?
C15 C16 C17 C18 177.2(5) . . . . ?
C21 C16 C17 Cl5 178.8(4) . . . . ?
C15 C16 C17 Cl5 -3.0(8) . . . . ?
C16 C17 C18 C19 0.3(9) . . . . ?
Cl5 C17 C18 C19 -179.5(5) . . . . ?
C17 C18 C19 C20 0.7(10) . . . . ?
C17 C18 C19 Cl6 -179.4(5) . . . . ?
C18 C19 C20 C21 -1.0(10) . . . . ?
Cl6 C19 C20 C21 179.2(5) . . . . ?
C19 C20 C21 C16 0.3(10) . . . . ?
C17 C16 C21 C20 0.7(9) . . . . ?
C15 C16 C21 C20 -177.7(5) . . . . ?
C26 N1 C22 C23 -0.4(8) . . . . ?
Tb1 N1 C22 C23 172.1(4) . . . . ?
N1 C22 C23 C24 0.0(8) . . . . ?
C22 C23 C24 C25 0.0(8) . . . . ?
C23 C24 C25 C26 0.3(8) . . . . ?
C22 N1 C26 C25 0.6(7) . . . . ?
Tb1 N1 C26 C25 -171.8(4) . . . . ?
C22 N1 C26 C27 180.0(4) . . . . ?
Tb1 N1 C26 C27 7.6(6) . . . . ?
C24 C25 C26 N1 -0.6(8) . . . . ?
C24 C25 C26 C27 -179.9(5) . . . . ?
C31 N2 C27 C28 3.6(8) . . . . ?
Tb1 N2 C27 C28 -160.3(4) . . . . ?
C31 N2 C27 C26 -175.9(4) . . . . ?
Tb1 N2 C27 C26 20.2(6) . . . . ?
N1 C26 C27 N2 -18.4(7) . . . . ?
C25 C26 C27 N2 161.0(5) . . . . ?
N1 C26 C27 C28 162.1(5) . . . . ?
C25 C26 C27 C28 -18.6(8) . . . . ?
N2 C27 C28 C29 -1.9(9) . . . . ?
C26 C27 C28 C29 177.6(5) . . . . ?
C27 C28 C29 C30 -1.0(9) . . . . ?
C28 C29 C30 C31 2.1(9) . . . . ?
C27 N2 C31 C30 -2.5(7) . . . . ?
Tb1 N2 C31 C30 161.1(4) . . . . ?
C27 N2 C31 C32 -179.1(4) . . . . ?
Tb1 N2 C31 C32 -15.5(6) . . . . ?
C29 C30 C31 N2 -0.3(9) . . . . ?
C29 C30 C31 C32 176.1(5) . . . . ?
C36 N3 C32 C33 -3.3(8) . . . . ?
Tb1 N3 C32 C33 176.4(4) . . . . ?
C36 N3 C32 C31 179.5(5) . . . . ?
Tb1 N3 C32 C31 -0.7(6) . . . . ?
N2 C31 C32 N3 10.6(7) . . . . ?
C30 C31 C32 N3 -166.0(5) . . . . ?
N2 C31 C32 C33 -166.5(5) . . . . ?
C30 C31 C32 C33 16.9(8) . . . . ?
N3 C32 C33 C34 3.6(9) . . . . ?
C31 C32 C33 C34 -179.4(5) . . . . ?
C32 C33 C34 C35 -2.0(9) . . . . ?
C33 C34 C35 C36 0.4(9) . . . . ?
C32 N3 C36 C35 1.7(8) . . . . ?
Tb1 N3 C36 C35 -178.1(4) . . . . ?
C34 C35 C36 N3 -0.2(9) . . . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.236
_refine_diff_density_min         -0.760
_refine_diff_density_rms         0.110
####################################################################### 
# 
# 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_151002g
_database_code_depnum_ccdc_archive 'CCDC 1448342'
_audit_update_record             
;
2016-01-19 deposited with the CCDC.
2016-07-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H54 Cl12 Eu2 N4 O14'
_chemical_formula_weight         1904.49

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'
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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1249(10)
_cell_length_b                   13.1148(12)
_cell_length_c                   15.5331(13)
_cell_angle_alpha                79.359(2)
_cell_angle_beta                 72.2760(10)
_cell_angle_gamma                79.733(2)
_cell_volume                     1914.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1555
_cell_measurement_theta_min      2.256
_cell_measurement_theta_max      19.408

_exptl_crystal_description       Needle-like
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             944
_exptl_absorpt_coefficient_mu    2.105
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5433
_exptl_absorpt_correction_T_max  0.8014
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9870
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_sigmaI/netI    0.1354
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6650
_reflns_number_gt                4232
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0266P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6650
_refine_ls_number_parameters     463
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1030
_refine_ls_R_factor_gt           0.0676
_refine_ls_wR_factor_ref         0.1286
_refine_ls_wR_factor_gt          0.1199
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_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
Eu1 Eu 0.44093(5) 0.34076(4) 0.01299(3) 0.03800(17) Uani 1 1 d . . .
Cl1 Cl 0.1501(4) 0.7704(3) 0.2179(3) 0.168(2) Uani 1 1 d . . .
Cl2 Cl -0.1876(3) 0.5434(3) 0.4826(2) 0.1160(14) Uani 1 1 d . . .
Cl3 Cl 0.5709(3) 0.4687(2) -0.31496(17) 0.0818(10) Uani 1 1 d . . .
Cl4 Cl 0.2588(4) 0.7482(3) -0.4957(2) 0.1096(13) Uani 1 1 d . . .
Cl5 Cl 0.0660(3) 0.0161(2) 0.32416(17) 0.0669(8) Uani 1 1 d . . .
Cl6 Cl 0.3132(4) 0.0240(3) 0.5795(2) 0.1241(15) Uani 1 1 d . . .
N1 N 0.6017(7) 0.1614(5) 0.0212(5) 0.0421(19) Uani 1 1 d . . .
N2 N 0.4684(8) 0.2191(6) -0.1073(5) 0.0446(19) Uani 1 1 d . . .
O1 O 0.3014(6) 0.4757(5) 0.0934(4) 0.0601(19) Uani 1 1 d . . .
O2 O 0.3415(6) 0.6333(5) 0.0980(4) 0.0569(18) Uani 1 1 d . . .
O3 O 0.3814(6) 0.4682(5) -0.1090(4) 0.0498(17) Uani 1 1 d . . .
O4 O 0.4222(6) 0.6264(5) -0.1017(4) 0.0498(17) Uani 1 1 d . . .
O5 O 0.3484(6) 0.2355(5) 0.1527(4) 0.0543(18) Uani 1 1 d . . .
O6 O 0.1326(7) 0.2008(5) 0.1852(4) 0.068(2) Uani 1 1 d . . .
O7 O 0.2045(6) 0.3067(4) 0.0187(4) 0.0496(17) Uani 1 1 d . . .
H7 H 0.1793 0.2565 0.0568 0.074 Uiso 1 1 d R . .
C1 C 0.2771(9) 0.5586(8) 0.1269(6) 0.042(2) Uani 1 1 d . . .
C2 C 0.1553(9) 0.5635(8) 0.2144(6) 0.047(2) Uani 1 1 d . . .
C3 C 0.1007(10) 0.6504(8) 0.2601(7) 0.063(3) Uani 1 1 d . . .
C4 C -0.0060(10) 0.6453(9) 0.3442(7) 0.068(3) Uani 1 1 d . . .
H4 H -0.0408 0.7033 0.3747 0.082 Uiso 1 1 calc R . .
C5 C -0.0559(11) 0.5503(9) 0.3786(7) 0.065(3) Uani 1 1 d . . .
C6 C -0.0069(11) 0.4627(9) 0.3375(8) 0.083(4) Uani 1 1 d . . .
H6 H -0.0413 0.3995 0.3640 0.099 Uiso 1 1 calc R . .
C7 C 0.0958(10) 0.4706(8) 0.2550(7) 0.069(3) Uani 1 1 d . . .
H7A H 0.1271 0.4120 0.2249 0.083 Uiso 1 1 calc R . .
C8 C 0.3900(9) 0.5612(7) -0.1392(6) 0.040(2) Uani 1 1 d . . .
C9 C 0.3547(9) 0.6026(7) -0.2283(6) 0.044(2) Uani 1 1 d . . .
C10 C 0.4305(10) 0.5688(7) -0.3112(7) 0.052(3) Uani 1 1 d . . .
C11 C 0.4022(11) 0.6128(8) -0.3930(7) 0.063(3) Uani 1 1 d . . .
H11 H 0.4550 0.5884 -0.4473 0.075 Uiso 1 1 calc R . .
C12 C 0.2939(12) 0.6936(8) -0.3920(7) 0.063(3) Uani 1 1 d . . .
C13 C 0.2164(11) 0.7293(8) -0.3123(7) 0.066(3) Uani 1 1 d . . .
H13 H 0.1429 0.7831 -0.3124 0.079 Uiso 1 1 calc R . .
C14 C 0.2468(10) 0.6860(7) -0.2311(7) 0.057(3) Uani 1 1 d . . .
H14 H 0.1949 0.7125 -0.1775 0.068 Uiso 1 1 calc R . .
C15 C 0.2417(11) 0.2009(7) 0.2074(6) 0.050(3) Uani 1 1 d . . .
C16 C 0.2496(10) 0.1564(7) 0.3021(6) 0.049(2) Uani 1 1 d . . .
C17 C 0.1778(9) 0.0770(7) 0.3580(6) 0.050(3) Uani 1 1 d . . .
C18 C 0.1950(11) 0.0368(8) 0.4433(7) 0.063(3) Uani 1 1 d . . .
H18 H 0.1436 -0.0152 0.4803 0.076 Uiso 1 1 calc R . .
C19 C 0.2916(13) 0.0760(9) 0.4729(7) 0.074(3) Uani 1 1 d . . .
C20 C 0.3598(12) 0.1599(9) 0.4208(7) 0.077(3) Uani 1 1 d . . .
H20 H 0.4175 0.1907 0.4421 0.093 Uiso 1 1 calc R . .
C21 C 0.3378(10) 0.1956(8) 0.3357(7) 0.060(3) Uani 1 1 d . . .
H21 H 0.3860 0.2495 0.2992 0.072 Uiso 1 1 calc R . .
C22 C 0.6675(10) 0.1338(7) 0.0861(6) 0.052(3) Uani 1 1 d . . .
H22 H 0.6469 0.1781 0.1301 0.062 Uiso 1 1 calc R . .
C23 C 0.7637(10) 0.0454(8) 0.0944(7) 0.055(3) Uani 1 1 d . . .
C24 C 0.7894(10) -0.0186(7) 0.0273(7) 0.058(3) Uani 1 1 d . . .
H24 H 0.8579 -0.0764 0.0262 0.070 Uiso 1 1 calc R . .
C25 C 0.7162(10) 0.0005(7) -0.0387(6) 0.054(3) Uani 1 1 d . . .
H25 H 0.7255 -0.0475 -0.0781 0.065 Uiso 1 1 calc R . .
C26 C 0.6280(9) 0.0957(7) -0.0420(6) 0.044(2) Uani 1 1 d . . .
C27 C 0.5523(9) 0.1263(7) -0.1116(6) 0.044(2) Uani 1 1 d . . .
C28 C 0.5696(10) 0.0705(7) -0.1827(7) 0.056(3) Uani 1 1 d . . .
H28 H 0.6255 0.0060 -0.1843 0.067 Uiso 1 1 calc R . .
C29 C 0.5065(11) 0.1080(8) -0.2505(7) 0.062(3) Uani 1 1 d . . .
H29 H 0.5203 0.0695 -0.2978 0.074 Uiso 1 1 calc R . .
C30 C 0.4227(10) 0.2027(8) -0.2488(7) 0.057(3) Uani 1 1 d . . .
C31 C 0.4073(10) 0.2525(7) -0.1740(7) 0.056(3) Uani 1 1 d . . .
H31 H 0.3483 0.3155 -0.1701 0.067 Uiso 1 1 calc R . .
C32 C 0.8367(11) 0.0241(8) 0.1687(7) 0.081(4) Uani 1 1 d . . .
H32A H 0.9223 0.0548 0.1472 0.121 Uiso 1 1 calc R . .
H32B H 0.8571 -0.0500 0.1849 0.121 Uiso 1 1 calc R . .
H32C H 0.7771 0.0542 0.2214 0.121 Uiso 1 1 calc R . .
C33 C 0.3505(12) 0.2524(9) -0.3211(7) 0.087(4) Uani 1 1 d . . .
H33A H 0.3606 0.2033 -0.3622 0.131 Uiso 1 1 calc R . .
H33B H 0.3920 0.3135 -0.3543 0.131 Uiso 1 1 calc R . .
H33C H 0.2530 0.2719 -0.2926 0.131 Uiso 1 1 calc R . .
C34 C 0.0858(12) 0.3718(9) 0.0007(8) 0.080(4) Uani 1 1 d . . .
H34A H 0.1163 0.4251 -0.0506 0.096 Uiso 1 1 calc R . .
H34B H 0.0354 0.4067 0.0534 0.096 Uiso 1 1 calc R . .
C35 C -0.0099(13) 0.3125(10) -0.0201(8) 0.105(5) Uani 1 1 d . . .
H35A H 0.0356 0.2851 -0.0765 0.157 Uiso 1 1 calc R . .
H35B H -0.0932 0.3583 -0.0254 0.157 Uiso 1 1 calc R . .
H35C H -0.0342 0.2559 0.0282 0.157 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Eu1 O1 2.354(6) . ?
Eu1 O4 2.367(6) 2_665 ?
Eu1 O5 2.368(6) . ?
Eu1 O2 2.383(6) 2_665 ?
Eu1 O3 2.432(6) . ?
Eu1 O7 2.486(6) . ?
Eu1 N2 2.596(7) . ?
Eu1 N1 2.617(7) . ?
Eu1 Eu1 4.4615(10) 2_665 ?
Cl1 C3 1.690(10) . ?
Cl2 C5 1.753(10) . ?
Cl3 C10 1.749(9) . ?
Cl4 C12 1.750(10) . ?
Cl5 C17 1.743(10) . ?
Cl6 C19 1.734(10) . ?
N1 C22 1.333(10) . ?
N1 C26 1.360(10) . ?
N2 C31 1.331(11) . ?
N2 C27 1.354(10) . ?
O1 C1 1.243(10) . ?
O2 C1 1.215(10) . ?
O2 Eu1 2.383(6) 2_665 ?
O3 C8 1.231(9) . ?
O4 C8 1.255(10) . ?
O4 Eu1 2.367(6) 2_665 ?
O5 C15 1.253(10) . ?
O6 C15 1.254(11) . ?
O7 C34 1.415(11) . ?
O7 H7 0.8200 . ?
C1 C2 1.535(12) . ?
C2 C3 1.394(12) . ?
C2 C7 1.411(12) . ?
C3 C4 1.419(12) . ?
C4 C5 1.380(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.360(13) . ?
C6 C7 1.383(12) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.514(11) . ?
C9 C10 1.391(11) . ?
C9 C14 1.406(11) . ?
C10 C11 1.385(12) . ?
C11 C12 1.381(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.364(12) . ?
C13 C14 1.384(12) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.499(12) . ?
C16 C21 1.373(12) . ?
C16 C17 1.385(12) . ?
C17 C18 1.383(12) . ?
C18 C19 1.405(14) . ?
C18 H18 0.9300 . ?
C19 C20 1.395(14) . ?
C20 C21 1.389(12) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.389(11) . ?
C22 H22 0.9300 . ?
C23 C24 1.392(12) . ?
C23 C32 1.512(12) . ?
C24 C25 1.402(12) . ?
C24 H24 0.9300 . ?
C25 C26 1.403(11) . ?
C25 H25 0.9300 . ?
C26 C27 1.466(12) . ?
C27 C28 1.386(11) . ?
C28 C29 1.366(12) . ?
C28 H28 0.9300 . ?
C29 C30 1.372(12) . ?
C29 H29 0.9300 . ?
C30 C31 1.392(12) . ?
C30 C33 1.509(12) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.483(14) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Eu1 O4 76.1(2) . 2_665 ?
O1 Eu1 O5 82.3(2) . . ?
O4 Eu1 O5 79.5(2) 2_665 . ?
O1 Eu1 O2 121.9(2) . 2_665 ?
O4 Eu1 O2 77.5(2) 2_665 2_665 ?
O5 Eu1 O2 140.4(2) . 2_665 ?
O1 Eu1 O3 78.0(2) . . ?
O4 Eu1 O3 123.0(2) 2_665 . ?
O5 Eu1 O3 144.5(2) . . ?
O2 Eu1 O3 74.8(2) 2_665 . ?
O1 Eu1 O7 79.8(2) . . ?
O4 Eu1 O7 143.98(19) 2_665 . ?
O5 Eu1 O7 71.1(2) . . ?
O2 Eu1 O7 138.5(2) 2_665 . ?
O3 Eu1 O7 76.49(19) . . ?
O1 Eu1 N2 147.1(2) . . ?
O4 Eu1 N2 136.8(2) 2_665 . ?
O5 Eu1 N2 102.8(2) . . ?
O2 Eu1 N2 74.3(2) 2_665 . ?
O3 Eu1 N2 79.7(2) . . ?
O7 Eu1 N2 71.6(2) . . ?
O1 Eu1 N1 146.5(2) . . ?
O4 Eu1 N1 79.7(2) 2_665 . ?
O5 Eu1 N1 70.6(2) . . ?
O2 Eu1 N1 73.9(2) 2_665 . ?
O3 Eu1 N1 135.2(2) . . ?
O7 Eu1 N1 108.4(2) . . ?
N2 Eu1 N1 61.5(2) . . ?
O1 Eu1 Eu1 55.24(16) . 2_665 ?
O4 Eu1 Eu1 59.31(14) 2_665 2_665 ?
O5 Eu1 Eu1 125.08(16) . 2_665 ?
O2 Eu1 Eu1 66.68(17) 2_665 2_665 ?
O3 Eu1 Eu1 64.15(15) . 2_665 ?
O7 Eu1 Eu1 124.10(13) . 2_665 ?
N2 Eu1 Eu1 131.96(16) . 2_665 ?
N1 Eu1 Eu1 127.44(16) . 2_665 ?
C22 N1 C26 117.3(8) . . ?
C22 N1 Eu1 120.3(6) . . ?
C26 N1 Eu1 122.3(6) . . ?
C31 N2 C27 116.9(8) . . ?
C31 N2 Eu1 119.1(6) . . ?
C27 N2 Eu1 123.7(6) . . ?
C1 O1 Eu1 155.9(6) . . ?
C1 O2 Eu1 133.3(6) . 2_665 ?
C8 O3 Eu1 138.2(6) . . ?
C8 O4 Eu1 147.5(6) . 2_665 ?
C15 O5 Eu1 146.4(6) . . ?
C34 O7 Eu1 133.3(6) . . ?
C34 O7 H7 109.5 . . ?
Eu1 O7 H7 111.9 . . ?
O2 C1 O1 126.4(9) . . ?
O2 C1 C2 118.1(8) . . ?
O1 C1 C2 115.5(9) . . ?
C3 C2 C7 116.4(8) . . ?
C3 C2 C1 126.2(9) . . ?
C7 C2 C1 117.4(8) . . ?
C2 C3 C4 122.0(10) . . ?
C2 C3 Cl1 123.1(8) . . ?
C4 C3 Cl1 114.9(8) . . ?
C5 C4 C3 117.0(10) . . ?
C5 C4 H4 121.5 . . ?
C3 C4 H4 121.5 . . ?
C6 C5 C4 123.8(10) . . ?
C6 C5 Cl2 118.9(9) . . ?
C4 C5 Cl2 117.2(9) . . ?
C5 C6 C7 117.7(11) . . ?
C5 C6 H6 121.2 . . ?
C7 C6 H6 121.2 . . ?
C6 C7 C2 123.0(10) . . ?
C6 C7 H7A 118.5 . . ?
C2 C7 H7A 118.5 . . ?
O3 C8 O4 126.0(9) . . ?
O3 C8 C9 117.7(8) . . ?
O4 C8 C9 116.3(8) . . ?
C10 C9 C14 116.4(8) . . ?
C10 C9 C8 123.8(8) . . ?
C14 C9 C8 119.6(8) . . ?
C11 C10 C9 122.8(9) . . ?
C11 C10 Cl3 117.6(8) . . ?
C9 C10 Cl3 119.6(7) . . ?
C12 C11 C10 118.6(9) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 H11 120.7 . . ?
C13 C12 C11 120.7(9) . . ?
C13 C12 Cl4 121.2(8) . . ?
C11 C12 Cl4 118.2(9) . . ?
C12 C13 C14 120.4(9) . . ?
C12 C13 H13 119.8 . . ?
C14 C13 H13 119.8 . . ?
C13 C14 C9 121.1(9) . . ?
C13 C14 H14 119.4 . . ?
C9 C14 H14 119.4 . . ?
O5 C15 O6 122.6(9) . . ?
O5 C15 C16 117.2(9) . . ?
O6 C15 C16 120.3(9) . . ?
C21 C16 C17 116.9(9) . . ?
C21 C16 C15 117.5(9) . . ?
C17 C16 C15 125.6(9) . . ?
C18 C17 C16 122.3(9) . . ?
C18 C17 Cl5 115.0(8) . . ?
C16 C17 Cl5 122.6(8) . . ?
C17 C18 C19 118.6(10) . . ?
C17 C18 H18 120.7 . . ?
C19 C18 H18 120.7 . . ?
C20 C19 C18 120.6(10) . . ?
C20 C19 Cl6 121.1(9) . . ?
C18 C19 Cl6 118.1(9) . . ?
C21 C20 C19 117.1(10) . . ?
C21 C20 H20 121.4 . . ?
C19 C20 H20 121.4 . . ?
C16 C21 C20 124.2(10) . . ?
C16 C21 H21 117.9 . . ?
C20 C21 H21 117.9 . . ?
N1 C22 C23 126.4(9) . . ?
N1 C22 H22 116.8 . . ?
C23 C22 H22 116.8 . . ?
C22 C23 C24 114.4(9) . . ?
C22 C23 C32 121.9(10) . . ?
C24 C23 C32 123.7(9) . . ?
C23 C24 C25 122.6(9) . . ?
C23 C24 H24 118.7 . . ?
C25 C24 H24 118.7 . . ?
C24 C25 C26 116.4(9) . . ?
C24 C25 H25 121.8 . . ?
C26 C25 H25 121.8 . . ?
N1 C26 C25 122.4(9) . . ?
N1 C26 C27 116.5(8) . . ?
C25 C26 C27 121.0(9) . . ?
N2 C27 C28 119.8(9) . . ?
N2 C27 C26 115.9(8) . . ?
C28 C27 C26 124.2(9) . . ?
C29 C28 C27 121.5(9) . . ?
C29 C28 H28 119.2 . . ?
C27 C28 H28 119.2 . . ?
C28 C29 C30 120.1(10) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C31 115.0(9) . . ?
C29 C30 C33 124.4(10) . . ?
C31 C30 C33 120.6(9) . . ?
N2 C31 C30 126.7(9) . . ?
N2 C31 H31 116.7 . . ?
C30 C31 H31 116.7 . . ?
C23 C32 H32A 109.5 . . ?
C23 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C23 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O7 C34 C35 112.4(10) . . ?
O7 C34 H34A 109.1 . . ?
C35 C34 H34A 109.1 . . ?
O7 C34 H34B 109.1 . . ?
C35 C34 H34B 109.1 . . ?
H34A C34 H34B 107.9 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Eu1 N1 C22 -24.5(9) . . . . ?
O4 Eu1 N1 C22 19.7(6) 2_665 . . . ?
O5 Eu1 N1 C22 -62.7(6) . . . . ?
O2 Eu1 N1 C22 99.5(7) 2_665 . . . ?
O3 Eu1 N1 C22 146.8(6) . . . . ?
O7 Eu1 N1 C22 -124.0(6) . . . . ?
N2 Eu1 N1 C22 -179.9(7) . . . . ?
Eu1 Eu1 N1 C22 57.2(7) 2_665 . . . ?
O1 Eu1 N1 C26 159.2(6) . . . . ?
O4 Eu1 N1 C26 -156.7(6) 2_665 . . . ?
O5 Eu1 N1 C26 121.0(7) . . . . ?
O2 Eu1 N1 C26 -76.8(6) 2_665 . . . ?
O3 Eu1 N1 C26 -29.6(7) . . . . ?
O7 Eu1 N1 C26 59.6(6) . . . . ?
N2 Eu1 N1 C26 3.7(6) . . . . ?
Eu1 Eu1 N1 C26 -119.1(6) 2_665 . . . ?
O1 Eu1 N2 C31 28.9(9) . . . . ?
O4 Eu1 N2 C31 -147.3(6) 2_665 . . . ?
O5 Eu1 N2 C31 124.6(7) . . . . ?
O2 Eu1 N2 C31 -96.2(7) 2_665 . . . ?
O3 Eu1 N2 C31 -19.2(7) . . . . ?
O7 Eu1 N2 C31 59.8(7) . . . . ?
N1 Eu1 N2 C31 -176.1(7) . . . . ?
Eu1 Eu1 N2 C31 -59.9(7) 2_665 . . . ?
O1 Eu1 N2 C27 -157.3(6) . . . . ?
O4 Eu1 N2 C27 26.6(8) 2_665 . . . ?
O5 Eu1 N2 C27 -61.6(7) . . . . ?
O2 Eu1 N2 C27 77.7(7) 2_665 . . . ?
O3 Eu1 N2 C27 154.6(7) . . . . ?
O7 Eu1 N2 C27 -126.3(7) . . . . ?
N1 Eu1 N2 C27 -2.3(6) . . . . ?
Eu1 Eu1 N2 C27 114.0(6) 2_665 . . . ?
O4 Eu1 O1 C1 40.8(15) 2_665 . . . ?
O5 Eu1 O1 C1 121.8(15) . . . . ?
O2 Eu1 O1 C1 -24.5(16) 2_665 . . . ?
O3 Eu1 O1 C1 -88.0(15) . . . . ?
O7 Eu1 O1 C1 -166.2(15) . . . . ?
N2 Eu1 O1 C1 -136.5(15) . . . . ?
N1 Eu1 O1 C1 85.7(16) . . . . ?
Eu1 Eu1 O1 C1 -21.3(14) 2_665 . . . ?
O1 Eu1 O3 C8 54.9(8) . . . . ?
O4 Eu1 O3 C8 -9.5(9) 2_665 . . . ?
O5 Eu1 O3 C8 112.8(9) . . . . ?
O2 Eu1 O3 C8 -73.1(8) 2_665 . . . ?
O7 Eu1 O3 C8 137.2(8) . . . . ?
N2 Eu1 O3 C8 -149.5(8) . . . . ?
N1 Eu1 O3 C8 -120.1(8) . . . . ?
Eu1 Eu1 O3 C8 -2.0(8) 2_665 . . . ?
O1 Eu1 O5 C15 67.2(11) . . . . ?
O4 Eu1 O5 C15 144.4(12) 2_665 . . . ?
O2 Eu1 O5 C15 -160.5(10) 2_665 . . . ?
O3 Eu1 O5 C15 10.4(13) . . . . ?
O7 Eu1 O5 C15 -14.6(11) . . . . ?
N2 Eu1 O5 C15 -79.8(12) . . . . ?
N1 Eu1 O5 C15 -133.0(12) . . . . ?
Eu1 Eu1 O5 C15 104.3(11) 2_665 . . . ?
O1 Eu1 O7 C34 46.9(8) . . . . ?
O4 Eu1 O7 C34 95.4(8) 2_665 . . . ?
O5 Eu1 O7 C34 132.2(8) . . . . ?
O2 Eu1 O7 C34 -80.4(9) 2_665 . . . ?
O3 Eu1 O7 C34 -33.2(8) . . . . ?
N2 Eu1 O7 C34 -116.7(8) . . . . ?
N1 Eu1 O7 C34 -166.7(8) . . . . ?
Eu1 Eu1 O7 C34 12.1(8) 2_665 . . . ?
Eu1 O2 C1 O1 -12.2(15) 2_665 . . . ?
Eu1 O2 C1 C2 166.3(5) 2_665 . . . ?
Eu1 O1 C1 O2 30(2) . . . . ?
Eu1 O1 C1 C2 -148.6(12) . . . . ?
O2 C1 C2 C3 7.1(14) . . . . ?
O1 C1 C2 C3 -174.3(9) . . . . ?
O2 C1 C2 C7 -170.3(9) . . . . ?
O1 C1 C2 C7 8.4(13) . . . . ?
C7 C2 C3 C4 1.8(15) . . . . ?
C1 C2 C3 C4 -175.6(9) . . . . ?
C7 C2 C3 Cl1 -175.3(8) . . . . ?
C1 C2 C3 Cl1 7.4(15) . . . . ?
C2 C3 C4 C5 -1.1(16) . . . . ?
Cl1 C3 C4 C5 176.2(8) . . . . ?
C3 C4 C5 C6 1.3(17) . . . . ?
C3 C4 C5 Cl2 179.9(8) . . . . ?
C4 C5 C6 C7 -2.2(18) . . . . ?
Cl2 C5 C6 C7 179.3(9) . . . . ?
C5 C6 C7 C2 2.9(17) . . . . ?
C3 C2 C7 C6 -2.7(16) . . . . ?
C1 C2 C7 C6 174.9(10) . . . . ?
Eu1 O3 C8 O4 -10.6(15) . . . . ?
Eu1 O3 C8 C9 171.4(5) . . . . ?
Eu1 O4 C8 O3 36.1(17) 2_665 . . . ?
Eu1 O4 C8 C9 -145.9(8) 2_665 . . . ?
O3 C8 C9 C10 -64.2(12) . . . . ?
O4 C8 C9 C10 117.6(10) . . . . ?
O3 C8 C9 C14 121.2(10) . . . . ?
O4 C8 C9 C14 -57.0(12) . . . . ?
C14 C9 C10 C11 -0.8(14) . . . . ?
C8 C9 C10 C11 -175.5(9) . . . . ?
C14 C9 C10 Cl3 177.7(7) . . . . ?
C8 C9 C10 Cl3 2.9(13) . . . . ?
C9 C10 C11 C12 -0.1(15) . . . . ?
Cl3 C10 C11 C12 -178.6(8) . . . . ?
C10 C11 C12 C13 0.0(16) . . . . ?
C10 C11 C12 Cl4 -179.8(8) . . . . ?
C11 C12 C13 C14 1.0(17) . . . . ?
Cl4 C12 C13 C14 -179.2(8) . . . . ?
C12 C13 C14 C9 -1.9(16) . . . . ?
C10 C9 C14 C13 1.7(14) . . . . ?
C8 C9 C14 C13 176.7(9) . . . . ?
Eu1 O5 C15 O6 18.1(18) . . . . ?
Eu1 O5 C15 C16 -163.2(7) . . . . ?
O5 C15 C16 C21 28.5(13) . . . . ?
O6 C15 C16 C21 -152.7(10) . . . . ?
O5 C15 C16 C17 -149.8(9) . . . . ?
O6 C15 C16 C17 29.0(14) . . . . ?
C21 C16 C17 C18 -1.2(14) . . . . ?
C15 C16 C17 C18 177.1(9) . . . . ?
C21 C16 C17 Cl5 -178.0(7) . . . . ?
C15 C16 C17 Cl5 0.3(13) . . . . ?
C16 C17 C18 C19 -1.9(15) . . . . ?
Cl5 C17 C18 C19 175.2(8) . . . . ?
C17 C18 C19 C20 5.5(17) . . . . ?
C17 C18 C19 Cl6 -179.4(8) . . . . ?
C18 C19 C20 C21 -5.9(17) . . . . ?
Cl6 C19 C20 C21 179.2(8) . . . . ?
C17 C16 C21 C20 0.7(16) . . . . ?
C15 C16 C21 C20 -177.8(9) . . . . ?
C19 C20 C21 C16 2.8(17) . . . . ?
C26 N1 C22 C23 1.8(14) . . . . ?
Eu1 N1 C22 C23 -174.7(7) . . . . ?
N1 C22 C23 C24 -0.7(15) . . . . ?
N1 C22 C23 C32 177.4(9) . . . . ?
C22 C23 C24 C25 -4.7(14) . . . . ?
C32 C23 C24 C25 177.3(10) . . . . ?
C23 C24 C25 C26 8.4(14) . . . . ?
C22 N1 C26 C25 2.4(13) . . . . ?
Eu1 N1 C26 C25 178.8(6) . . . . ?
C22 N1 C26 C27 178.7(8) . . . . ?
Eu1 N1 C26 C27 -4.9(10) . . . . ?
C24 C25 C26 N1 -7.2(13) . . . . ?
C24 C25 C26 C27 176.6(8) . . . . ?
C31 N2 C27 C28 -0.7(13) . . . . ?
Eu1 N2 C27 C28 -174.6(6) . . . . ?
C31 N2 C27 C26 174.8(8) . . . . ?
Eu1 N2 C27 C26 0.8(10) . . . . ?
N1 C26 C27 N2 2.6(11) . . . . ?
C25 C26 C27 N2 179.0(8) . . . . ?
N1 C26 C27 C28 177.8(8) . . . . ?
C25 C26 C27 C28 -5.8(14) . . . . ?
N2 C27 C28 C29 1.6(14) . . . . ?
C26 C27 C28 C29 -173.5(9) . . . . ?
C27 C28 C29 C30 -0.5(15) . . . . ?
C28 C29 C30 C31 -1.2(15) . . . . ?
C28 C29 C30 C33 178.7(10) . . . . ?
C27 N2 C31 C30 -1.3(14) . . . . ?
Eu1 N2 C31 C30 172.9(8) . . . . ?
C29 C30 C31 N2 2.3(15) . . . . ?
C33 C30 C31 N2 -177.7(10) . . . . ?
Eu1 O7 C34 C35 158.5(7) . . . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         2.028
_refine_diff_density_min         -1.296
_refine_diff_density_rms         0.146
####################################################################### 
# 
# 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_151002h
_database_code_depnum_ccdc_archive 'CCDC 1448343'
_audit_update_record             
;
2016-01-19 deposited with the CCDC.
2016-07-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C70 H54 Cl12 N4 O14 Tb2'
_chemical_formula_weight         1918.41

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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1571(8)
_cell_length_b                   13.0730(11)
_cell_length_c                   15.5692(13)
_cell_angle_alpha                79.315(2)
_cell_angle_beta                 72.1150(10)
_cell_angle_gamma                79.624(2)
_cell_volume                     1916.5(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    1809
_cell_measurement_theta_min      2.413
_cell_measurement_theta_max      20.883

_exptl_crystal_description       Needle-like
_exptl_crystal_colour            Colorless
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.662
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             948
_exptl_absorpt_coefficient_mu    2.312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5343
_exptl_absorpt_correction_T_max  0.7851
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            9847
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_av_sigmaI/netI    0.1159
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         25.02
_reflns_number_total             6647
_reflns_number_gt                4536
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0003P)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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6647
_refine_ls_number_parameters     463
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.0843
_refine_ls_wR_factor_gt          0.0787
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_restrained_S_all      1.007
_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
Tb1 Tb 0.44201(4) 0.34043(3) 0.51306(3) 0.03783(12) Uani 1 1 d . . .
Cl1 Cl 0.1451(3) 0.7730(2) 0.7111(3) 0.1690(16) Uani 1 1 d . . .
Cl2 Cl -0.1855(3) 0.5458(3) 0.98213(17) 0.1208(11) Uani 1 1 d . . .
Cl3 Cl 0.5749(2) 0.46968(18) 0.18566(15) 0.0821(8) Uani 1 1 d . . .
Cl4 Cl 0.2560(3) 0.7464(2) 0.00724(17) 0.1117(10) Uani 1 1 d . . .
Cl5 Cl 0.0666(2) 0.01622(16) 0.82435(15) 0.0691(6) Uani 1 1 d . . .
Cl6 Cl 0.3130(3) 0.0257(3) 1.07909(18) 0.1316(12) Uani 1 1 d . . .
N1 N 0.6016(6) 0.1621(4) 0.5230(4) 0.0434(15) Uani 1 1 d . . .
N2 N 0.4708(6) 0.2216(4) 0.3918(4) 0.0442(16) Uani 1 1 d . . .
O1 O 0.3006(5) 0.4727(4) 0.5932(3) 0.0574(15) Uani 1 1 d . . .
O2 O 0.3430(5) 0.6328(4) 0.5955(3) 0.0513(14) Uani 1 1 d . . .
O3 O 0.3833(5) 0.4661(4) 0.3931(3) 0.0499(13) Uani 1 1 d . . .
O4 O 0.4243(5) 0.6268(4) 0.3977(3) 0.0514(14) Uani 1 1 d . . .
O5 O 0.3508(5) 0.2362(4) 0.6518(3) 0.0573(14) Uani 1 1 d . . .
O6 O 0.1350(5) 0.2006(4) 0.6837(4) 0.0675(17) Uani 1 1 d . . .
O7 O 0.2086(4) 0.3083(3) 0.5184(3) 0.0505(13) Uani 1 1 d . . .
H7 H 0.1831 0.2582 0.5566 0.076 Uiso 1 1 d R . .
C1 C 0.2774(8) 0.5575(6) 0.6263(5) 0.045(2) Uani 1 1 d . . .
C2 C 0.1560(7) 0.5645(6) 0.7127(5) 0.0444(19) Uani 1 1 d . . .
C3 C 0.0996(8) 0.6499(6) 0.7562(6) 0.064(2) Uani 1 1 d . . .
C4 C -0.0066(8) 0.6473(7) 0.8419(6) 0.072(3) Uani 1 1 d . . .
H4 H -0.0407 0.7064 0.8715 0.086 Uiso 1 1 calc R . .
C5 C -0.0537(9) 0.5547(8) 0.8768(6) 0.069(3) Uani 1 1 d . . .
C6 C -0.0046(9) 0.4636(8) 0.8371(7) 0.093(3) Uani 1 1 d . . .
H6 H -0.0396 0.4008 0.8647 0.111 Uiso 1 1 calc R . .
C7 C 0.0981(8) 0.4699(7) 0.7552(6) 0.072(3) Uani 1 1 d . . .
H7A H 0.1310 0.4101 0.7265 0.087 Uiso 1 1 calc R . .
C8 C 0.3919(7) 0.5603(6) 0.3609(5) 0.0428(19) Uani 1 1 d . . .
C9 C 0.3572(7) 0.6020(5) 0.2723(5) 0.0413(19) Uani 1 1 d . . .
C10 C 0.4330(7) 0.5677(6) 0.1899(5) 0.049(2) Uani 1 1 d . . .
C11 C 0.4036(8) 0.6112(6) 0.1089(5) 0.059(2) Uani 1 1 d . . .
H11 H 0.4569 0.5868 0.0547 0.071 Uiso 1 1 calc R . .
C12 C 0.2943(10) 0.6913(7) 0.1091(6) 0.067(3) Uani 1 1 d . . .
C13 C 0.2152(9) 0.7256(6) 0.1897(6) 0.068(3) Uani 1 1 d . . .
H13 H 0.1395 0.7777 0.1903 0.081 Uiso 1 1 calc R . .
C14 C 0.2474(8) 0.6831(6) 0.2697(5) 0.057(2) Uani 1 1 d . . .
H14 H 0.1947 0.7090 0.3234 0.068 Uiso 1 1 calc R . .
C15 C 0.2428(9) 0.1995(6) 0.7062(6) 0.049(2) Uani 1 1 d . . .
C16 C 0.2518(8) 0.1567(6) 0.8004(5) 0.049(2) Uani 1 1 d . . .
C17 C 0.1797(8) 0.0777(6) 0.8567(5) 0.050(2) Uani 1 1 d . . .
C18 C 0.1961(8) 0.0378(6) 0.9437(6) 0.066(2) Uani 1 1 d . . .
H18 H 0.1450 -0.0142 0.9809 0.079 Uiso 1 1 calc R . .
C19 C 0.2909(10) 0.0782(8) 0.9729(6) 0.079(3) Uani 1 1 d . . .
C20 C 0.3597(9) 0.1595(7) 0.9198(6) 0.081(3) Uani 1 1 d . . .
H20 H 0.4194 0.1888 0.9405 0.097 Uiso 1 1 calc R . .
C21 C 0.3389(8) 0.1974(6) 0.8350(6) 0.065(2) Uani 1 1 d . . .
H21 H 0.3857 0.2526 0.7996 0.078 Uiso 1 1 calc R . .
C22 C 0.6682(7) 0.1345(5) 0.5877(5) 0.049(2) Uani 1 1 d . . .
H22 H 0.6472 0.1788 0.6318 0.059 Uiso 1 1 calc R . .
C23 C 0.7632(8) 0.0482(6) 0.5952(6) 0.056(2) Uani 1 1 d . . .
C24 C 0.7916(8) -0.0185(6) 0.5288(6) 0.062(2) Uani 1 1 d . . .
H24 H 0.8595 -0.0767 0.5286 0.075 Uiso 1 1 calc R . .
C25 C 0.7179(8) 0.0018(5) 0.4621(5) 0.060(2) Uani 1 1 d . . .
H25 H 0.7294 -0.0452 0.4215 0.072 Uiso 1 1 calc R . .
C26 C 0.6269(7) 0.0962(5) 0.4602(5) 0.047(2) Uani 1 1 d . . .
C27 C 0.5534(7) 0.1279(6) 0.3895(5) 0.047(2) Uani 1 1 d . . .
C28 C 0.5705(8) 0.0711(6) 0.3193(6) 0.059(2) Uani 1 1 d . . .
H28 H 0.6260 0.0062 0.3181 0.071 Uiso 1 1 calc R . .
C29 C 0.5061(8) 0.1089(7) 0.2504(6) 0.067(3) Uani 1 1 d . . .
H29 H 0.5189 0.0701 0.2034 0.080 Uiso 1 1 calc R . .
C30 C 0.4251(8) 0.2029(7) 0.2529(6) 0.058(2) Uani 1 1 d . . .
C31 C 0.4090(7) 0.2558(6) 0.3248(5) 0.054(2) Uani 1 1 d . . .
H31 H 0.3514 0.3197 0.3273 0.065 Uiso 1 1 calc R . .
C32 C 0.8347(8) 0.0240(6) 0.6706(5) 0.079(3) Uani 1 1 d . . .
H32A H 0.9154 0.0601 0.6527 0.118 Uiso 1 1 calc R . .
H32B H 0.8628 -0.0503 0.6813 0.118 Uiso 1 1 calc R . .
H32C H 0.7711 0.0469 0.7254 0.118 Uiso 1 1 calc R . .
C33 C 0.3523(9) 0.2540(7) 0.1803(6) 0.095(3) Uani 1 1 d . . .
H33A H 0.4183 0.2858 0.1282 0.143 Uiso 1 1 calc R . .
H33B H 0.2779 0.3067 0.2045 0.143 Uiso 1 1 calc R . .
H33C H 0.3148 0.2015 0.1624 0.143 Uiso 1 1 calc R . .
C34 C 0.0917(8) 0.3732(6) 0.5003(6) 0.076(3) Uani 1 1 d . . .
H34A H 0.1229 0.4270 0.4494 0.091 Uiso 1 1 calc R . .
H34B H 0.0409 0.4080 0.5530 0.091 Uiso 1 1 calc R . .
C35 C -0.0043(9) 0.3150(8) 0.4783(7) 0.109(4) Uani 1 1 d . . .
H35A H 0.0428 0.2857 0.4229 0.163 Uiso 1 1 calc R . .
H35B H -0.0852 0.3622 0.4707 0.163 Uiso 1 1 calc R . .
H35C H -0.0322 0.2595 0.5271 0.163 Uiso 1 1 calc R . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb1 O1 2.327(4) . ?
Tb1 O5 2.348(5) . ?
Tb1 O2 2.353(5) 2_666 ?
Tb1 O4 2.355(4) 2_666 ?
Tb1 O3 2.396(5) . ?
Tb1 O7 2.456(4) . ?
Tb1 N2 2.578(5) . ?
Tb1 N1 2.597(5) . ?
Cl1 C3 1.716(8) . ?
Cl2 C5 1.770(9) . ?
Cl3 C10 1.742(7) . ?
Cl4 C12 1.744(8) . ?
Cl5 C17 1.749(7) . ?
Cl6 C19 1.733(9) . ?
N1 C22 1.341(7) . ?
N1 C26 1.356(8) . ?
N2 C31 1.346(8) . ?
N2 C27 1.354(8) . ?
O1 C1 1.263(8) . ?
O2 C1 1.228(8) . ?
O2 Tb1 2.353(5) 2_666 ?
O3 C8 1.248(8) . ?
O4 C8 1.263(7) . ?
O4 Tb1 2.355(4) 2_666 ?
O5 C15 1.272(8) . ?
O6 C15 1.245(8) . ?
O7 C34 1.401(7) . ?
O7 H7 0.8200 . ?
C1 C2 1.525(9) . ?
C2 C3 1.358(9) . ?
C2 C7 1.426(10) . ?
C3 C4 1.435(10) . ?
C4 C5 1.340(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.385(11) . ?
C6 C7 1.377(11) . ?
C6 H6 0.9300 . ?
C7 H7A 0.9300 . ?
C8 C9 1.509(9) . ?
C9 C10 1.386(9) . ?
C9 C14 1.398(8) . ?
C10 C11 1.381(9) . ?
C11 C12 1.382(9) . ?
C11 H11 0.9300 . ?
C12 C13 1.371(10) . ?
C13 C14 1.376(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.494(10) . ?
C16 C17 1.383(10) . ?
C16 C21 1.387(9) . ?
C17 C18 1.407(10) . ?
C18 C19 1.398(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.374(11) . ?
C20 C21 1.388(10) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.359(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.404(9) . ?
C23 C32 1.520(9) . ?
C24 C25 1.419(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.404(8) . ?
C25 H25 0.9300 . ?
C26 C27 1.471(9) . ?
C27 C28 1.384(9) . ?
C28 C29 1.393(9) . ?
C28 H28 0.9300 . ?
C29 C30 1.350(9) . ?
C29 H29 0.9300 . ?
C30 C31 1.376(9) . ?
C30 C33 1.525(10) . ?
C31 H31 0.9300 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 C35 1.489(9) . ?
C34 H34A 0.9700 . ?
C34 H34B 0.9700 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Tb1 O5 81.54(17) . . ?
O1 Tb1 O2 122.38(17) . 2_666 ?
O5 Tb1 O2 140.26(16) . 2_666 ?
O1 Tb1 O4 76.42(16) . 2_666 ?
O5 Tb1 O4 78.75(17) . 2_666 ?
O2 Tb1 O4 77.46(16) 2_666 2_666 ?
O1 Tb1 O3 78.28(16) . . ?
O5 Tb1 O3 144.55(16) . . ?
O2 Tb1 O3 74.99(16) 2_666 . ?
O4 Tb1 O3 123.38(16) 2_666 . ?
O1 Tb1 O7 78.51(16) . . ?
O5 Tb1 O7 71.65(16) . . ?
O2 Tb1 O7 138.91(15) 2_666 . ?
O4 Tb1 O7 143.51(16) 2_666 . ?
O3 Tb1 O7 75.94(16) . . ?
O1 Tb1 N2 146.26(17) . . ?
O5 Tb1 N2 103.92(18) . . ?
O2 Tb1 N2 74.30(17) 2_666 . ?
O4 Tb1 N2 137.26(17) 2_666 . ?
O3 Tb1 N2 78.87(17) . . ?
O7 Tb1 N2 72.08(16) . . ?
O1 Tb1 N1 145.75(18) . . ?
O5 Tb1 N1 70.28(17) . . ?
O2 Tb1 N1 74.32(17) 2_666 . ?
O4 Tb1 N1 79.26(17) 2_666 . ?
O3 Tb1 N1 135.79(17) . . ?
O7 Tb1 N1 109.20(16) . . ?
N2 Tb1 N1 62.66(18) . . ?
C22 N1 C26 117.5(6) . . ?
C22 N1 Tb1 120.9(4) . . ?
C26 N1 Tb1 121.4(5) . . ?
C31 N2 C27 118.1(6) . . ?
C31 N2 Tb1 119.4(5) . . ?
C27 N2 Tb1 122.3(5) . . ?
C1 O1 Tb1 154.1(5) . . ?
C1 O2 Tb1 134.7(5) . 2_666 ?
C8 O3 Tb1 139.2(5) . . ?
C8 O4 Tb1 147.2(5) . 2_666 ?
C15 O5 Tb1 145.9(5) . . ?
C34 O7 Tb1 133.6(4) . . ?
C34 O7 H7 109.5 . . ?
Tb1 O7 H7 111.6 . . ?
O2 C1 O1 126.2(7) . . ?
O2 C1 C2 118.4(7) . . ?
O1 C1 C2 115.4(7) . . ?
C3 C2 C7 115.8(7) . . ?
C3 C2 C1 127.4(8) . . ?
C7 C2 C1 116.7(7) . . ?
C2 C3 C4 123.8(8) . . ?
C2 C3 Cl1 122.7(7) . . ?
C4 C3 Cl1 113.5(6) . . ?
C5 C4 C3 115.9(8) . . ?
C5 C4 H4 122.0 . . ?
C3 C4 H4 122.0 . . ?
C4 C5 C6 124.7(9) . . ?
C4 C5 Cl2 118.5(8) . . ?
C6 C5 Cl2 116.9(8) . . ?
C7 C6 C5 117.2(9) . . ?
C7 C6 H6 121.4 . . ?
C5 C6 H6 121.4 . . ?
C6 C7 C2 122.5(8) . . ?
C6 C7 H7A 118.7 . . ?
C2 C7 H7A 118.7 . . ?
O3 C8 O4 125.4(7) . . ?
O3 C8 C9 119.0(6) . . ?
O4 C8 C9 115.6(7) . . ?
C10 C9 C14 116.4(7) . . ?
C10 C9 C8 123.6(6) . . ?
C14 C9 C8 119.9(7) . . ?
C11 C10 C9 122.4(7) . . ?
C11 C10 Cl3 117.7(6) . . ?
C9 C10 Cl3 119.9(6) . . ?
C10 C11 C12 119.5(8) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C13 C12 C11 119.7(8) . . ?
C13 C12 Cl4 120.5(7) . . ?
C11 C12 Cl4 119.8(7) . . ?
C12 C13 C14 120.3(8) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C9 121.7(8) . . ?
C13 C14 H14 119.1 . . ?
C9 C14 H14 119.1 . . ?
O6 C15 O5 122.7(8) . . ?
O6 C15 C16 121.5(8) . . ?
O5 C15 C16 115.8(7) . . ?
C17 C16 C21 116.6(8) . . ?
C17 C16 C15 124.7(7) . . ?
C21 C16 C15 118.6(8) . . ?
C16 C17 C18 122.2(7) . . ?
C16 C17 Cl5 123.1(6) . . ?
C18 C17 Cl5 114.7(6) . . ?
C19 C18 C17 118.6(8) . . ?
C19 C18 H18 120.7 . . ?
C17 C18 H18 120.7 . . ?
C20 C19 C18 120.3(9) . . ?
C20 C19 Cl6 121.8(7) . . ?
C18 C19 Cl6 117.9(8) . . ?
C19 C20 C21 119.1(8) . . ?
C19 C20 H20 120.5 . . ?
C21 C20 H20 120.5 . . ?
C16 C21 C20 123.1(8) . . ?
C16 C21 H21 118.5 . . ?
C20 C21 H21 118.5 . . ?
N1 C22 C23 126.4(7) . . ?
N1 C22 H22 116.8 . . ?
C23 C22 H22 116.8 . . ?
C22 C23 C24 115.9(7) . . ?
C22 C23 C32 122.7(7) . . ?
C24 C23 C32 121.4(7) . . ?
C23 C24 C25 120.8(7) . . ?
C23 C24 H24 119.6 . . ?
C25 C24 H24 119.6 . . ?
C26 C25 C24 116.9(7) . . ?
C26 C25 H25 121.5 . . ?
C24 C25 H25 121.5 . . ?
N1 C26 C25 122.2(7) . . ?
N1 C26 C27 116.8(6) . . ?
C25 C26 C27 121.0(7) . . ?
N2 C27 C28 119.2(7) . . ?
N2 C27 C26 116.7(6) . . ?
C28 C27 C26 124.0(7) . . ?
C27 C28 C29 121.4(7) . . ?
C27 C28 H28 119.3 . . ?
C29 C28 H28 119.3 . . ?
C30 C29 C28 118.9(7) . . ?
C30 C29 H29 120.6 . . ?
C28 C29 H29 120.6 . . ?
C29 C30 C31 117.7(8) . . ?
C29 C30 C33 123.8(8) . . ?
C31 C30 C33 118.5(7) . . ?
N2 C31 C30 124.7(7) . . ?
N2 C31 H31 117.7 . . ?
C30 C31 H31 117.7 . . ?
C23 C32 H32A 109.5 . . ?
C23 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C23 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
O7 C34 C35 113.1(7) . . ?
O7 C34 H34A 109.0 . . ?
C35 C34 H34A 109.0 . . ?
O7 C34 H34B 109.0 . . ?
C35 C34 H34B 109.0 . . ?
H34A C34 H34B 107.8 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Tb1 N1 C22 -26.6(7) . . . . ?
O5 Tb1 N1 C22 -63.1(5) . . . . ?
O2 Tb1 N1 C22 98.6(5) 2_666 . . . ?
O4 Tb1 N1 C22 18.7(5) 2_666 . . . ?
O3 Tb1 N1 C22 146.2(5) . . . . ?
O7 Tb1 N1 C22 -124.5(5) . . . . ?
N2 Tb1 N1 C22 178.7(6) . . . . ?
O1 Tb1 N1 C26 157.1(5) . . . . ?
O5 Tb1 N1 C26 120.7(6) . . . . ?
O2 Tb1 N1 C26 -77.7(5) 2_666 . . . ?
O4 Tb1 N1 C26 -157.5(5) 2_666 . . . ?
O3 Tb1 N1 C26 -30.1(6) . . . . ?
O7 Tb1 N1 C26 59.3(5) . . . . ?
N2 Tb1 N1 C26 2.4(5) . . . . ?
O1 Tb1 N2 C31 28.7(7) . . . . ?
O5 Tb1 N2 C31 124.3(5) . . . . ?
O2 Tb1 N2 C31 -96.8(5) 2_666 . . . ?
O4 Tb1 N2 C31 -147.3(5) 2_666 . . . ?
O3 Tb1 N2 C31 -19.5(5) . . . . ?
O7 Tb1 N2 C31 59.2(5) . . . . ?
N1 Tb1 N2 C31 -177.0(6) . . . . ?
O1 Tb1 N2 C27 -155.6(5) . . . . ?
O5 Tb1 N2 C27 -59.9(6) . . . . ?
O2 Tb1 N2 C27 78.9(5) 2_666 . . . ?
O4 Tb1 N2 C27 28.5(7) 2_666 . . . ?
O3 Tb1 N2 C27 156.3(6) . . . . ?
O7 Tb1 N2 C27 -125.0(6) . . . . ?
N1 Tb1 N2 C27 -1.2(5) . . . . ?
O5 Tb1 O1 C1 122.5(11) . . . . ?
O2 Tb1 O1 C1 -23.2(12) 2_666 . . . ?
O4 Tb1 O1 C1 42.1(11) 2_666 . . . ?
O3 Tb1 O1 C1 -86.8(11) . . . . ?
O7 Tb1 O1 C1 -164.6(11) . . . . ?
N2 Tb1 O1 C1 -135.0(11) . . . . ?
N1 Tb1 O1 C1 88.1(12) . . . . ?
O1 Tb1 O3 C8 56.8(7) . . . . ?
O5 Tb1 O3 C8 113.4(7) . . . . ?
O2 Tb1 O3 C8 -71.7(7) 2_666 . . . ?
O4 Tb1 O3 C8 -8.1(8) 2_666 . . . ?
O7 Tb1 O3 C8 137.7(7) . . . . ?
N2 Tb1 O3 C8 -148.2(7) . . . . ?
N1 Tb1 O3 C8 -119.1(7) . . . . ?
O1 Tb1 O5 C15 68.8(9) . . . . ?
O2 Tb1 O5 C15 -159.3(8) 2_666 . . . ?
O4 Tb1 O5 C15 146.5(9) 2_666 . . . ?
O3 Tb1 O5 C15 13.1(10) . . . . ?
O7 Tb1 O5 C15 -11.8(8) . . . . ?
N2 Tb1 O5 C15 -77.2(9) . . . . ?
N1 Tb1 O5 C15 -131.0(9) . . . . ?
O1 Tb1 O7 C34 47.6(6) . . . . ?
O5 Tb1 O7 C34 132.4(7) . . . . ?
O2 Tb1 O7 C34 -79.1(7) 2_666 . . . ?
O4 Tb1 O7 C34 95.0(7) 2_666 . . . ?
O3 Tb1 O7 C34 -33.0(6) . . . . ?
N2 Tb1 O7 C34 -115.6(7) . . . . ?
N1 Tb1 O7 C34 -167.0(6) . . . . ?
Tb1 O2 C1 O1 -14.0(12) 2_666 . . . ?
Tb1 O2 C1 C2 165.9(4) 2_666 . . . ?
Tb1 O1 C1 O2 29.6(16) . . . . ?
Tb1 O1 C1 C2 -150.3(8) . . . . ?
O2 C1 C2 C3 7.8(11) . . . . ?
O1 C1 C2 C3 -172.3(7) . . . . ?
O2 C1 C2 C7 -169.4(7) . . . . ?
O1 C1 C2 C7 10.5(9) . . . . ?
C7 C2 C3 C4 3.1(12) . . . . ?
C1 C2 C3 C4 -174.1(7) . . . . ?
C7 C2 C3 Cl1 -174.5(6) . . . . ?
C1 C2 C3 Cl1 8.3(11) . . . . ?
C2 C3 C4 C5 -2.8(13) . . . . ?
Cl1 C3 C4 C5 175.1(7) . . . . ?
C3 C4 C5 C6 1.7(14) . . . . ?
C3 C4 C5 Cl2 -179.6(6) . . . . ?
C4 C5 C6 C7 -1.2(15) . . . . ?
Cl2 C5 C6 C7 -179.9(6) . . . . ?
C5 C6 C7 C2 1.6(14) . . . . ?
C3 C2 C7 C6 -2.6(12) . . . . ?
C1 C2 C7 C6 175.0(8) . . . . ?
Tb1 O3 C8 O4 -11.2(12) . . . . ?
Tb1 O3 C8 C9 170.9(4) . . . . ?
Tb1 O4 C8 O3 34.6(13) 2_666 . . . ?
Tb1 O4 C8 C9 -147.5(6) 2_666 . . . ?
O3 C8 C9 C10 -64.4(10) . . . . ?
O4 C8 C9 C10 117.5(8) . . . . ?
O3 C8 C9 C14 118.8(8) . . . . ?
O4 C8 C9 C14 -59.2(9) . . . . ?
C14 C9 C10 C11 0.5(11) . . . . ?
C8 C9 C10 C11 -176.4(7) . . . . ?
C14 C9 C10 Cl3 178.1(5) . . . . ?
C8 C9 C10 Cl3 1.3(10) . . . . ?
C9 C10 C11 C12 -0.4(12) . . . . ?
Cl3 C10 C11 C12 -178.1(6) . . . . ?
C10 C11 C12 C13 -1.0(12) . . . . ?
C10 C11 C12 Cl4 -179.8(6) . . . . ?
C11 C12 C13 C14 2.3(13) . . . . ?
Cl4 C12 C13 C14 -178.9(6) . . . . ?
C12 C13 C14 C9 -2.3(13) . . . . ?
C10 C9 C14 C13 0.9(11) . . . . ?
C8 C9 C14 C13 177.8(7) . . . . ?
Tb1 O5 C15 O6 14.6(14) . . . . ?
Tb1 O5 C15 C16 -164.1(6) . . . . ?
O6 C15 C16 C17 29.6(11) . . . . ?
O5 C15 C16 C17 -151.6(7) . . . . ?
O6 C15 C16 C21 -150.9(7) . . . . ?
O5 C15 C16 C21 27.8(10) . . . . ?
C21 C16 C17 C18 -1.8(12) . . . . ?
C15 C16 C17 C18 177.7(7) . . . . ?
C21 C16 C17 Cl5 -179.4(6) . . . . ?
C15 C16 C17 Cl5 0.1(11) . . . . ?
C16 C17 C18 C19 -1.4(12) . . . . ?
Cl5 C17 C18 C19 176.3(6) . . . . ?
C17 C18 C19 C20 4.0(14) . . . . ?
C17 C18 C19 Cl6 -178.4(6) . . . . ?
C18 C19 C20 C21 -3.1(15) . . . . ?
Cl6 C19 C20 C21 179.3(7) . . . . ?
C17 C16 C21 C20 2.7(12) . . . . ?
C15 C16 C21 C20 -176.8(8) . . . . ?
C19 C20 C21 C16 -0.3(14) . . . . ?
C26 N1 C22 C23 2.5(11) . . . . ?
Tb1 N1 C22 C23 -173.9(6) . . . . ?
N1 C22 C23 C24 -1.0(12) . . . . ?
N1 C22 C23 C32 179.3(7) . . . . ?
C22 C23 C24 C25 -3.5(12) . . . . ?
C32 C23 C24 C25 176.2(7) . . . . ?
C23 C24 C25 C26 6.2(12) . . . . ?
C22 N1 C26 C25 0.6(11) . . . . ?
Tb1 N1 C26 C25 177.0(5) . . . . ?
C22 N1 C26 C27 -179.8(6) . . . . ?
Tb1 N1 C26 C27 -3.4(9) . . . . ?
C24 C25 C26 N1 -4.7(11) . . . . ?
C24 C25 C26 C27 175.7(7) . . . . ?
C31 N2 C27 C28 -0.4(10) . . . . ?
Tb1 N2 C27 C28 -176.2(5) . . . . ?
C31 N2 C27 C26 175.9(6) . . . . ?
Tb1 N2 C27 C26 0.1(9) . . . . ?
N1 C26 C27 N2 2.1(10) . . . . ?
C25 C26 C27 N2 -178.2(7) . . . . ?
N1 C26 C27 C28 178.2(7) . . . . ?
C25 C26 C27 C28 -2.1(12) . . . . ?
N2 C27 C28 C29 1.0(12) . . . . ?
C26 C27 C28 C29 -175.0(7) . . . . ?
C27 C28 C29 C30 -0.3(12) . . . . ?
C28 C29 C30 C31 -0.8(12) . . . . ?
C28 C29 C30 C33 178.4(8) . . . . ?
C27 N2 C31 C30 -0.9(11) . . . . ?
Tb1 N2 C31 C30 175.1(6) . . . . ?
C29 C30 C31 N2 1.5(13) . . . . ?
C33 C30 C31 N2 -177.7(7) . . . . ?
Tb1 O7 C34 C35 157.7(6) . . . . ?

_diffrn_measured_fraction_theta_max 0.983
_diffrn_reflns_theta_full        25.02
_diffrn_measured_fraction_theta_full 0.983
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.965
_refine_diff_density_rms         0.115
