# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2018

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

data_l7_30-sr
_database_code_depnum_ccdc_archive 'CCDC 1818851'
_audit_update_record             
;
2018-07-06 deposited with the CCDC.
2018-07-10 downloaded from the CCDC.
;
_audit_creation_date             2018-07-04
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C34 H22 N4 O8 Tb, N O3'
_chemical_formula_sum            'C34 H22 N5 O11 Tb'
_chemical_formula_weight         835.49
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C H O N'
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   10.5191(14)
_cell_length_b                   11.2198(14)
_cell_length_c                   13.7378(16)
_cell_angle_alpha                92.717(10)
_cell_angle_beta                 102.283(11)
_cell_angle_gamma                92.021(10)
_cell_volume                     1580.8(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3890
_cell_measurement_temperature    173(1)
_cell_measurement_theta_max      26.2860
_cell_measurement_theta_min      3.6170
_exptl_absorpt_coefficient_mu    2.310
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.97435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             828
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0532
_diffrn_reflns_av_unetI/netI     0.0997
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            10615
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         3.25
_diffrn_ambient_temperature      173(1)
_diffrn_detector_area_resol_mean 16.0733
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega   -2.00   25.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.3492  -99.0000  -60.0000 18

#__ type_ start__ end____ width___ exp.time_
  2 omega  -10.00   26.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.3492  -99.0000 -180.0000 24

#__ type_ start__ end____ width___ exp.time_
  3 omega   75.00  102.00   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6305  178.0000   30.0000 18

#__ type_ start__ end____ width___ exp.time_
  4 omega   -1.00   90.50   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6305   57.0000 -180.0000 61

#__ type_ start__ end____ width___ exp.time_
  5 omega  -35.00   92.50   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6305   19.0000    0.0000 85

#__ type_ start__ end____ width___ exp.time_
  6 omega  -48.00   46.50   1.5000   10.0000
omega____ theta____ kappa____ phi______ frames
    -       22.6305  -57.0000   30.0000 63
;
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0415368000
_diffrn_orient_matrix_UB_12      0.0320324000
_diffrn_orient_matrix_UB_13      0.0410595000
_diffrn_orient_matrix_UB_21      0.0051158000
_diffrn_orient_matrix_UB_22      -0.0523751000
_diffrn_orient_matrix_UB_23      0.0272682000
_diffrn_orient_matrix_UB_31      0.0549687000
_diffrn_orient_matrix_UB_32      -0.0156398000
_diffrn_orient_matrix_UB_33      -0.0192774000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                5112
_reflns_number_total             6181
_reflns_odcompleteness_completeness 99.77
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_refine_diff_density_max         1.781
_refine_diff_density_min         -1.090
_refine_diff_density_rms         0.160
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6181
_refine_ls_number_restraints     36
_refine_ls_R_factor_all          0.0592
_refine_ls_R_factor_gt           0.0452
_refine_ls_restrained_S_all      0.991
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0129P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0801
_refine_ls_wR_factor_ref         0.0869
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C3) \\sim Ueq, Uanis(C5) \\sim Ueq, Uanis(C4) \\sim Ueq, Uanis(C4B) \\sim
Ueq, Uanis(C3B) \\sim Ueq, Uanis(C5B) \\sim Ueq: with sigma of 0.01 and sigma
for terminal atoms of 0.02
3. Others
 Fixed Sof: C3(0.6) H3(0.6) C5(0.6) H5(0.6) C4(0.6) H4(0.6) C5B(0.4) H5B(0.4)
 C4B(0.4) H4B(0.4) C3B(0.4) H3B(0.4)
4.a Aromatic/amide H refined with riding coordinates:
 C12(H12), C9(H9), C10(H10), C7(H7), C16(H16), C14(H14), C8(H8), C15(H15),
 C3(H3), C5(H5), C4(H4), C24(H24), C20(H20), C21(H21), C22(H22), C27(H27),
 C26(H26), C25(H25), C31(H31), C29(H29), C32(H32), C33(H33), C5B(H5B), C4B(H4B),
  C3B(H3B)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Tb2 Tb 1.43063(2) 0.48412(2) 1.353235(19) 0.01431(9) Uani 1 d . . . .
O2 O 1.3629(3) 0.5827(3) 1.2009(3) 0.0226(9) Uani 1 d . . . .
O3 O 0.6400(3) 0.5453(3) 0.5003(3) 0.0196(9) Uani 1 d . . . .
O4 O 0.6423(3) 0.5627(3) 0.3420(3) 0.0192(8) Uani 1 d . . . .
O1 O 1.2077(3) 0.5461(4) 1.2821(3) 0.0272(10) Uani 1 d . . . .
N1 N 1.1176(4) 0.6700(5) 0.8513(3) 0.0276(12) Uani 1 d A . . .
N2 N 1.0872(4) 0.6702(4) 0.6914(3) 0.0245(11) Uani 1 d . . . .
O10 O 1.1219(5) 0.1145(5) 0.7638(4) 0.0644(16) Uani 1 d . . . .
C13 C 0.8351(5) 0.6214(5) 0.4612(4) 0.0158(11) Uani 1 d . . . .
O11 O 0.9249(5) 0.0456(6) 0.7404(5) 0.090(2) Uani 1 d . . . .
C17 C 0.6982(5) 0.5736(4) 0.4323(4) 0.0158(11) Uani 1 d . . . .
C12 C 0.9013(5) 0.6179(5) 0.5593(4) 0.0214(13) Uani 1 d . . . .
H12 H 0.8628 0.5794 0.6049 0.026 Uiso 1 calc . . R .
O9 O 1.0814(7) -0.0748(5) 0.7738(5) 0.090(2) Uani 1 d . . . .
C1 C 1.2449(5) 0.5830(5) 1.2071(4) 0.0202(12) Uani 1 d A . . .
C9 C 1.2202(6) 0.6720(6) 0.7294(5) 0.0321(15) Uani 1 d . . . .
H9 H 1.2848 0.6738 0.6926 0.039 Uiso 1 calc . . R .
C10 C 1.0277(5) 0.6711(6) 0.7677(4) 0.0265(14) Uani 1 d . . . .
H10 H 0.9383 0.6724 0.7632 0.032 Uiso 1 calc . . R .
C11 C 1.0237(5) 0.6709(5) 0.5896(4) 0.0219(13) Uani 1 d . . . .
C2 C 1.1492(5) 0.6276(5) 1.1225(4) 0.0258(14) Uani 1 d . . . .
C7 C 1.1774(5) 0.6279(5) 1.0283(4) 0.0234(13) Uani 1 d A . . .
H7 H 1.2546 0.5972 1.0176 0.028 Uiso 1 calc . . R .
C16 C 1.0827(6) 0.7275(7) 0.5225(5) 0.0394(18) Uani 1 d . . . .
H16 H 1.1652 0.7645 0.5438 0.047 Uiso 1 calc . . R .
C14 C 0.8960(5) 0.6749(6) 0.3936(4) 0.0288(15) Uani 1 d . . . .
H14 H 0.8537 0.6746 0.3268 0.035 Uiso 1 calc . . R .
C8 C 1.2388(6) 0.6706(6) 0.8285(4) 0.0331(16) Uani 1 d . . . .
H8 H 1.3185 0.6701 0.8735 0.040 Uiso 1 calc . . R .
C15 C 1.0195(6) 0.7289(6) 0.4243(5) 0.0392(18) Uani 1 d . . . .
H15 H 1.0592 0.7660 0.3787 0.047 Uiso 1 calc . . R .
N5 N 1.0426(6) 0.0270(7) 0.7588(5) 0.0591(19) Uani 1 d . . . .
C3 C 1.0407(17) 0.6884(13) 1.1386(14) 0.023(3) Uani 0.60 d A 1 . U
H3 H 1.0229 0.6943 1.2020 0.028 Uiso 0.60 calc A 1 R .
C6 C 1.0912(6) 0.6736(6) 0.9507(4) 0.0272(14) Uani 1 d . . . .
C5 C 0.9881(14) 0.7378(12) 0.9653(13) 0.024(3) Uani 0.60 d A 1 . U
H5 H 0.9387 0.7786 0.9141 0.029 Uiso 0.60 calc A 1 R .
C4 C 0.9602(14) 0.7396(12) 1.0602(12) 0.035(4) Uani 0.60 d A 1 . U
H4 H 0.8858 0.7759 1.0709 0.042 Uiso 0.60 calc A 1 R .
O6 O 1.4778(4) 0.3573(3) 1.2136(3) 0.0230(9) Uani 1 d . . . .
O5 O 1.3019(3) 0.3083(3) 1.2687(3) 0.0267(10) Uani 1 d . . . .
C18 C 1.3784(5) 0.2896(5) 1.2106(4) 0.0192(12) Uani 1 d . . . .
C23 C 1.3649(6) 0.0970(5) 0.9772(4) 0.0263(14) Uani 1 d . . . .
C19 C 1.3507(5) 0.1842(5) 1.1373(4) 0.0210(12) Uani 1 d . . . .
C24 C 1.3941(5) 0.1902(5) 1.0477(4) 0.0221(13) Uani 1 d . . . .
H24 H 1.4425 0.2571 1.0362 0.027 Uiso 1 calc . . R .
C20 C 1.2817(6) 0.0839(5) 1.1548(5) 0.0324(15) Uani 1 d . . . .
H20 H 1.2543 0.0794 1.2146 0.039 Uiso 1 calc . . R .
C21 C 1.2528(7) -0.0110(6) 1.0833(5) 0.0444(19) Uani 1 d . . . .
H21 H 1.2050 -0.0783 1.0947 0.053 Uiso 1 calc . . R .
C22 C 1.2957(7) -0.0042(6) 0.9948(5) 0.0410(18) Uani 1 d . . . .
H22 H 1.2781 -0.0678 0.9472 0.049 Uiso 1 calc . . R .
N4 N 1.4017(5) 0.0755(4) 0.7269(3) 0.0254(11) Uani 1 d . . . .
N3 N 1.3999(5) 0.1070(4) 0.8820(4) 0.0288(12) Uani 1 d . . . .
C27 C 1.3602(5) 0.0318(5) 0.8030(4) 0.0261(14) Uani 1 d . . . .
H27 H 1.3115 -0.0394 0.8014 0.031 Uiso 1 calc . . R .
C26 C 1.4718(7) 0.1823(6) 0.7586(5) 0.0429(19) Uani 1 d . . . .
H26 H 1.5122 0.2309 0.7201 0.051 Uiso 1 calc . . R .
C25 C 1.4704(7) 0.2023(6) 0.8549(5) 0.050(2) Uani 1 d . . . .
H25 H 1.5092 0.2676 0.8961 0.060 Uiso 1 calc . . R .
C30 C 1.3850(5) -0.1440(5) 0.5145(4) 0.0184(12) Uani 1 d . . . .
C31 C 1.3220(5) -0.0815(5) 0.4349(4) 0.0251(13) Uani 1 d . . . .
H31 H 1.3055 -0.1160 0.3703 0.030 Uiso 1 calc . . R .
C29 C 1.4106(5) -0.0919(5) 0.6115(4) 0.0211(13) Uani 1 d . . . .
H29 H 1.4529 -0.1340 0.6647 0.025 Uiso 1 calc . . R .
C28 C 1.3731(6) 0.0215(5) 0.6274(4) 0.0238(13) Uani 1 d . . . .
C32 C 1.2835(6) 0.0340(5) 0.4530(5) 0.0327(15) Uani 1 d . . . .
H32 H 1.2397 0.0761 0.4004 0.039 Uiso 1 calc . . R .
C33 C 1.3103(6) 0.0860(6) 0.5490(5) 0.0340(16) Uani 1 d . . . .
H33 H 1.2863 0.1635 0.5608 0.041 Uiso 1 calc . . R .
O8 O 1.4195(3) -0.3141(3) 0.4134(3) 0.0185(8) Uani 1 d . . . .
O7 O 1.4544(4) -0.3232(3) 0.5800(3) 0.0252(9) Uani 1 d . . . .
C34 C 1.4232(5) -0.2697(5) 0.5015(4) 0.0184(12) Uani 1 d . . . .
C5B C 0.961(2) 0.6962(18) 0.9640(19) 0.025(5) Uani 0.40 d A 2 . U
H5B H 0.8959 0.7161 0.9106 0.029 Uiso 0.40 calc A 2 R .
C4B C 0.935(2) 0.6872(18) 1.0584(18) 0.036(6) Uani 0.40 d A 2 . U
H4B H 0.8549 0.7090 1.0694 0.043 Uiso 0.40 calc A 2 R .
C3B C 1.025(3) 0.647(2) 1.136(2) 0.033(7) Uani 0.40 d A 2 . U
H3B H 1.0031 0.6339 1.1972 0.040 Uiso 0.40 calc A 2 R .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Tb2 O2 2.399(4) . ?
Tb2 O3 2.697(4) 1_656 ?
Tb2 O3 2.321(3) 2_767 ?
Tb2 O4 2.404(3) 1_656 ?
Tb2 O1 2.478(4) . ?
Tb2 C17 2.917(5) 1_656 ?
Tb2 C1 2.788(6) . ?
Tb2 O6 2.479(3) . ?
Tb2 O5 2.449(4) . ?
Tb2 C18 2.821(6) . ?
Tb2 O8 2.389(3) 1_566 ?
Tb2 O7 2.325(4) 2_857 ?
O2 C1 1.262(6) . ?
O3 Tb2 2.321(3) 2_767 ?
O3 Tb2 2.697(4) 1_454 ?
O3 C17 1.268(6) . ?
O4 Tb2 2.404(3) 1_454 ?
O4 C17 1.253(6) . ?
O1 C1 1.260(6) . ?
N1 C10 1.324(7) . ?
N1 C8 1.376(7) . ?
N1 C6 1.450(7) . ?
N2 C9 1.384(7) . ?
N2 C10 1.331(6) . ?
N2 C11 1.417(7) . ?
O10 N5 1.255(7) . ?
C13 C17 1.483(7) . ?
C13 C12 1.382(7) . ?
C13 C14 1.383(7) . ?
O11 N5 1.237(7) . ?
C17 Tb2 2.917(5) 1_454 ?
C12 C11 1.370(7) . ?
O9 N5 1.238(8) . ?
C1 C2 1.485(8) . ?
C9 C8 1.334(8) . ?
C11 C16 1.382(7) . ?
C2 C7 1.389(7) . ?
C2 C3 1.401(19) . ?
C2 C3B 1.38(3) . ?
C7 C6 1.376(7) . ?
C16 C15 1.372(8) . ?
C14 C15 1.385(8) . ?
C3 C4 1.38(2) . ?
C6 C5 1.367(16) . ?
C6 C5B 1.45(2) . ?
C5 C4 1.40(2) . ?
O6 C18 1.263(6) . ?
O5 C18 1.264(6) . ?
C18 C19 1.495(7) . ?
C23 C24 1.371(7) . ?
C23 C22 1.386(8) . ?
C23 N3 1.440(7) . ?
C19 C24 1.405(7) . ?
C19 C20 1.376(7) . ?
C20 C21 1.393(8) . ?
C21 C22 1.388(8) . ?
N4 C27 1.325(7) . ?
N4 C26 1.386(7) . ?
N4 C28 1.435(7) . ?
N3 C27 1.327(7) . ?
N3 C25 1.389(7) . ?
C26 C25 1.335(8) . ?
C30 C31 1.387(7) . ?
C30 C29 1.397(7) . ?
C30 C34 1.492(7) . ?
C31 C32 1.399(8) . ?
C29 C28 1.367(7) . ?
C28 C33 1.389(8) . ?
C32 C33 1.383(8) . ?
O8 Tb2 2.389(3) 1_544 ?
O8 C34 1.279(6) . ?
O7 Tb2 2.325(4) 2_857 ?
O7 C34 1.248(6) . ?
C5B C4B 1.39(3) . ?
C4B C3B 1.37(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O2 Tb2 O3 126.62(12) . 1_656 ?
O2 Tb2 O4 82.91(12) . 1_656 ?
O2 Tb2 O1 53.67(11) . . ?
O2 Tb2 C17 104.84(13) . 1_656 ?
O2 Tb2 C1 26.85(12) . . ?
O2 Tb2 O6 71.14(13) . . ?
O2 Tb2 O5 87.05(13) . . ?
O2 Tb2 C18 78.16(14) . . ?
O3 Tb2 O2 138.81(12) 2_767 . ?
O3 Tb2 O3 75.30(12) 2_767 1_656 ?
O3 Tb2 O4 125.88(13) 2_767 1_656 ?
O3 Tb2 O1 86.95(12) 2_767 . ?
O3 Tb2 C17 25.73(12) 1_656 1_656 ?
O3 Tb2 C17 100.99(14) 2_767 1_656 ?
O3 Tb2 C1 113.35(14) 2_767 . ?
O3 Tb2 C1 141.65(14) 1_656 . ?
O3 Tb2 O6 136.85(13) 2_767 . ?
O3 Tb2 O5 91.81(12) 2_767 . ?
O3 Tb2 C18 115.04(14) 2_767 . ?
O3 Tb2 C18 131.67(13) 1_656 . ?
O3 Tb2 O8 79.22(12) 2_767 1_566 ?
O3 Tb2 O7 75.80(12) 2_767 2_857 ?
O4 Tb2 O3 50.66(11) 1_656 1_656 ?
O4 Tb2 O1 132.27(12) 1_656 . ?
O4 Tb2 C17 24.93(12) 1_656 1_656 ?
O4 Tb2 C1 108.34(14) 1_656 . ?
O4 Tb2 O6 78.01(12) 1_656 . ?
O4 Tb2 O5 130.68(12) 1_656 . ?
O4 Tb2 C18 104.35(14) 1_656 . ?
O1 Tb2 O3 141.46(12) . 1_656 ?
O1 Tb2 C17 143.54(14) . 1_656 ?
O1 Tb2 C1 26.87(12) . . ?
O1 Tb2 O6 101.88(13) . . ?
O1 Tb2 C18 86.80(14) . . ?
C1 Tb2 C17 127.19(15) . 1_656 ?
C1 Tb2 C18 80.47(16) . . ?
O6 Tb2 O3 114.55(11) . 1_656 ?
O6 Tb2 C17 96.28(13) . 1_656 ?
O6 Tb2 C1 85.31(14) . . ?
O6 Tb2 C18 26.59(12) . . ?
O5 Tb2 O3 141.15(13) . 1_656 ?
O5 Tb2 O1 71.81(13) . . ?
O5 Tb2 C17 142.18(13) . 1_656 ?
O5 Tb2 C1 77.16(15) . . ?
O5 Tb2 O6 53.16(11) . . ?
O5 Tb2 C18 26.57(12) . . ?
C18 Tb2 C17 120.08(14) . 1_656 ?
O8 Tb2 O2 78.17(12) 1_566 . ?
O8 Tb2 O3 69.90(12) 1_566 1_656 ?
O8 Tb2 O4 79.76(12) 1_566 1_656 ?
O8 Tb2 O1 73.35(13) 1_566 . ?
O8 Tb2 C17 73.35(13) 1_566 1_656 ?
O8 Tb2 C1 75.14(14) 1_566 . ?
O8 Tb2 O6 143.88(12) 1_566 . ?
O8 Tb2 O5 144.40(12) 1_566 . ?
O8 Tb2 C18 155.25(14) 1_566 . ?
O7 Tb2 O2 142.46(12) 2_857 . ?
O7 Tb2 O3 65.68(13) 2_857 1_656 ?
O7 Tb2 O4 83.66(13) 2_857 1_656 ?
O7 Tb2 O1 142.52(13) 2_857 . ?
O7 Tb2 C17 73.33(14) 2_857 1_656 ?
O7 Tb2 C1 151.61(15) 2_857 . ?
O7 Tb2 O6 71.83(13) 2_857 . ?
O7 Tb2 O5 75.69(14) 2_857 . ?
O7 Tb2 C18 71.53(15) 2_857 . ?
O7 Tb2 O8 133.10(13) 2_857 1_566 ?
C1 O2 Tb2 94.0(3) . . ?
Tb2 O3 Tb2 104.70(12) 2_767 1_454 ?
C17 O3 Tb2 168.1(4) . 2_767 ?
C17 O3 Tb2 86.9(3) . 1_454 ?
C17 O4 Tb2 101.1(3) . 1_454 ?
C1 O1 Tb2 90.4(3) . . ?
C10 N1 C8 109.1(5) . . ?
C10 N1 C6 124.8(5) . . ?
C8 N1 C6 126.0(5) . . ?
C9 N2 C11 126.8(4) . . ?
C10 N2 C9 108.1(5) . . ?
C10 N2 C11 125.1(5) . . ?
C12 C13 C17 119.2(4) . . ?
C12 C13 C14 119.1(5) . . ?
C14 C13 C17 121.6(5) . . ?
O3 C17 Tb2 67.4(3) . 1_454 ?
O3 C17 C13 118.8(5) . . ?
O4 C17 Tb2 54.0(2) . 1_454 ?
O4 C17 O3 121.4(5) . . ?
O4 C17 C13 119.9(4) . . ?
C13 C17 Tb2 173.8(4) . 1_454 ?
C11 C12 C13 120.2(5) . . ?
O2 C1 Tb2 59.1(3) . . ?
O2 C1 C2 118.1(5) . . ?
O1 C1 Tb2 62.7(3) . . ?
O1 C1 O2 121.7(5) . . ?
O1 C1 C2 120.2(5) . . ?
C2 C1 Tb2 174.7(4) . . ?
C8 C9 N2 107.6(5) . . ?
N1 C10 N2 108.3(5) . . ?
C12 C11 N2 119.0(5) . . ?
C12 C11 C16 120.6(6) . . ?
C16 C11 N2 120.4(5) . . ?
C7 C2 C1 119.9(5) . . ?
C7 C2 C3 118.0(9) . . ?
C3 C2 C1 121.1(9) . . ?
C3B C2 C1 117.9(14) . . ?
C3B C2 C7 121.2(14) . . ?
C3B C2 C3 19.9(11) . . ?
C6 C7 C2 120.0(5) . . ?
C15 C16 C11 119.8(6) . . ?
C13 C14 C15 120.6(6) . . ?
C9 C8 N1 106.9(5) . . ?
C16 C15 C14 119.7(5) . . ?
O11 N5 O10 118.2(7) . . ?
O9 N5 O10 120.8(7) . . ?
O9 N5 O11 121.0(7) . . ?
C4 C3 C2 120.1(16) . . ?
N1 C6 C5B 119.5(11) . . ?
C7 C6 N1 120.3(5) . . ?
C7 C6 C5B 118.3(11) . . ?
C5 C6 N1 116.7(8) . . ?
C5 C6 C7 122.4(8) . . ?
C5 C6 C5B 21.7(9) . . ?
C6 C5 C4 117.1(13) . . ?
C3 C4 C5 121.4(15) . . ?
C18 O6 Tb2 92.0(3) . . ?
C18 O5 Tb2 93.3(3) . . ?
O6 C18 Tb2 61.4(3) . . ?
O6 C18 O5 121.5(5) . . ?
O6 C18 C19 119.4(4) . . ?
O5 C18 Tb2 60.1(3) . . ?
O5 C18 C19 119.1(5) . . ?
C19 C18 Tb2 178.5(4) . . ?
C24 C23 C22 120.5(5) . . ?
C24 C23 N3 119.8(5) . . ?
C22 C23 N3 119.6(5) . . ?
C24 C19 C18 118.5(5) . . ?
C20 C19 C18 121.6(5) . . ?
C20 C19 C24 119.9(5) . . ?
C23 C24 C19 119.7(5) . . ?
C19 C20 C21 120.3(5) . . ?
C22 C21 C20 119.5(6) . . ?
C21 C22 C23 120.1(6) . . ?
C27 N4 C26 108.9(5) . . ?
C27 N4 C28 124.5(5) . . ?
C26 N4 C28 126.5(5) . . ?
C27 N3 C23 125.3(5) . . ?
C27 N3 C25 108.7(5) . . ?
C25 N3 C23 125.7(5) . . ?
N4 C27 N3 108.2(5) . . ?
C25 C26 N4 107.0(6) . . ?
C26 C25 N3 107.1(6) . . ?
C31 C30 C29 120.4(5) . . ?
C31 C30 C34 122.1(5) . . ?
C29 C30 C34 117.4(5) . . ?
C30 C31 C32 119.1(5) . . ?
C28 C29 C30 119.4(5) . . ?
C29 C28 N4 119.3(5) . . ?
C29 C28 C33 121.2(6) . . ?
C33 C28 N4 119.5(5) . . ?
C33 C32 C31 120.3(6) . . ?
C32 C33 C28 119.4(6) . . ?
C34 O8 Tb2 130.8(3) . 1_544 ?
C34 O7 Tb2 142.3(3) . 2_857 ?
O8 C34 C30 119.0(5) . . ?
O7 C34 C30 115.3(5) . . ?
O7 C34 O8 125.6(5) . . ?
C4B C5B C6 118.0(19) . . ?
C3B C4B C5B 122(2) . . ?
C4B C3B C2 118(3) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
