# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
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data_2
_database_code_depnum_ccdc_archive 'CCDC 2048282'
loop_
_audit_author_name
_audit_author_address
'Taisiya S. Sukhikh '
;Nikolaev Instityue of Inorganic Chemistry SB RAS
Russia
;
_audit_update_record             
;
2020-12-04 deposited with the CCDC.	2021-03-17 downloaded from the CCDC.
;
_audit_creation_date             2020-11-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2017/1
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H24 N16 Ta2'
_chemical_formula_sum            'C24 H24 N16 Ta2'
_chemical_formula_weight         898.49
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_cell_length_a                   8.4335(17)
_cell_length_b                   14.985(3)
_cell_length_c                   22.574(5)
_cell_angle_alpha                90
_cell_angle_beta                 96.76(3)
_cell_angle_gamma                90
_cell_volume                     2833.0(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      35.11
_cell_measurement_theta_min      2.79
_shelx_estimated_absorpt_T_max   0.511
_shelx_estimated_absorpt_T_min   0.306
_exptl_absorpt_coefficient_mu    7.766
_exptl_absorpt_correction_T_max  0.7469
_exptl_absorpt_correction_T_min  0.5198
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2012/1 (Bruker,2012) was used for absorption correction. wR2(int) was 0.0922 before and 0.0494 after correction. The Ratio of minimum to maximum transmission is 0.6959. The λ/2 correction factor is 0.0015.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    2.107
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0357
_diffrn_reflns_av_unetI/netI     0.0337
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            22936
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.697
_diffrn_reflns_theta_min         2.269
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 8.33
_diffrn_detector_type            'Bruker APEXII CCD area detector'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX diffractometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_special_details          ?
_diffrn_standards_interval_count .
_diffrn_standards_interval_time  .
_diffrn_standards_number         .
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6525
_reflns_number_total             7278
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_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    ?
_refine_diff_density_max         1.700
_refine_diff_density_min         -1.210
_refine_diff_density_rms         0.145
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         7278
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0232
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+6.5592P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0525
_refine_ls_wR_factor_ref         0.0542
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C13(H13), C14(H14), C15(H15), C23(H23), C24(H24), C25(H25), C33(H33),
 C34(H34), C35(H35), C43(H43), C44(H44), C45(H45), C53(H53), C54(H54), C55(H55),
  C63(H63), C64(H64), C65(H65), C73(H73), C74(H74), C75(H75), C83(H83),
 C84(H84), C85(H85)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ta1 Ta 0.92574(2) 0.27851(2) 0.18386(2) 0.01305(4) Uani 1 1 d . . . . .
Ta2 Ta 0.87728(2) 0.22769(2) 0.04571(2) 0.01369(4) Uani 1 1 d . . . . .
N11 N 1.0965(3) 0.23834(19) 0.25938(13) 0.0192(6) Uani 1 1 d . . . . .
N12 N 0.9527(4) 0.20128(19) 0.26674(13) 0.0199(6) Uani 1 1 d . . . . .
N21 N 0.9412(3) 0.40238(19) 0.23584(13) 0.0196(6) Uani 1 1 d . . . . .
N22 N 0.7975(3) 0.36357(19) 0.23903(13) 0.0200(6) Uani 1 1 d . . . . .
N31 N 0.7409(3) 0.1245(2) -0.00483(13) 0.0211(6) Uani 1 1 d . . . . .
N32 N 0.6744(4) 0.2044(2) -0.02113(13) 0.0219(6) Uani 1 1 d . . . . .
N41 N 0.9696(4) 0.2813(2) -0.03315(13) 0.0212(6) Uani 1 1 d . . . . .
N42 N 1.0355(3) 0.2002(2) -0.02234(13) 0.0212(6) Uani 1 1 d . . . . .
N51 N 1.0121(3) 0.14374(18) 0.15794(12) 0.0144(5) Uani 1 1 d . . . . .
N52 N 0.9867(3) 0.12246(18) 0.09923(12) 0.0156(5) Uani 1 1 d . . . . .
N61 N 1.1219(3) 0.32038(19) 0.13955(12) 0.0166(5) Uani 1 1 d . . . . .
N62 N 1.1069(3) 0.29678(18) 0.08126(12) 0.0167(6) Uani 1 1 d . . . . .
N71 N 0.8103(3) 0.38128(18) 0.11946(13) 0.0166(5) Uani 1 1 d . . . . .
N72 N 0.7896(3) 0.35781(19) 0.06112(12) 0.0178(6) Uani 1 1 d . . . . .
N81 N 0.7011(3) 0.21739(17) 0.15846(12) 0.0151(5) Uani 1 1 d . . . . .
N82 N 0.6774(3) 0.19447(18) 0.09967(12) 0.0152(5) Uani 1 1 d . . . . .
C13 C 0.9743(5) 0.1479(3) 0.31393(16) 0.0284(8) Uani 1 1 d . . . . .
H13 H 0.893017 0.113338 0.328677 0.034 Uiso 1 1 calc R . . . .
C14 C 1.1324(5) 0.1499(3) 0.33848(17) 0.0320(9) Uani 1 1 d . . . . .
H14 H 1.180077 0.118311 0.372503 0.038 Uiso 1 1 calc R . . . .
C15 C 1.2064(5) 0.2083(2) 0.30236(17) 0.0267(8) Uani 1 1 d . . . . .
H15 H 1.316209 0.224170 0.307378 0.032 Uiso 1 1 calc R . . . .
C23 C 0.7115(4) 0.4154(2) 0.27122(16) 0.0227(7) Uani 1 1 d . . . . .
H23 H 0.606023 0.403335 0.279823 0.027 Uiso 1 1 calc R . . . .
C24 C 0.8017(5) 0.4898(2) 0.29003(17) 0.0251(8) Uani 1 1 d . . . . .
H24 H 0.771808 0.537784 0.313885 0.030 Uiso 1 1 calc R . . . .
C25 C 0.9459(4) 0.4787(2) 0.26621(16) 0.0224(7) Uani 1 1 d . . . . .
H25 H 1.033296 0.519066 0.270919 0.027 Uiso 1 1 calc R . . . .
C33 C 0.5475(5) 0.1891(3) -0.06154(17) 0.0337(9) Uani 1 1 d . . . . .
H33 H 0.478799 0.233670 -0.080311 0.040 Uiso 1 1 calc R . . . .
C34 C 0.5326(5) 0.0985(3) -0.07154(19) 0.0402(11) Uani 1 1 d . . . . .
H34 H 0.453972 0.068854 -0.098098 0.048 Uiso 1 1 calc R . . . .
C35 C 0.6558(4) 0.0602(3) -0.03483(18) 0.0299(9) Uani 1 1 d . . . . .
H35 H 0.677022 -0.001957 -0.031347 0.036 Uiso 1 1 calc R . . . .
C43 C 1.1293(4) 0.1822(3) -0.06459(17) 0.0279(8) Uani 1 1 d . . . . .
H43 H 1.189311 0.129035 -0.067564 0.033 Uiso 1 1 calc R . . . .
C44 C 1.1242(5) 0.2545(3) -0.10350(18) 0.0341(9) Uani 1 1 d . . . . .
H44 H 1.179016 0.260660 -0.137700 0.041 Uiso 1 1 calc R . . . .
C45 C 1.0222(4) 0.3154(3) -0.08175(16) 0.0276(8) Uani 1 1 d . . . . .
H45 H 0.994322 0.372182 -0.098653 0.033 Uiso 1 1 calc R . . . .
C53 C 1.0383(4) 0.0394(2) 0.09149(15) 0.0201(7) Uani 1 1 d . . . . .
H53 H 1.032453 0.009011 0.054369 0.024 Uiso 1 1 calc R . . . .
C54 C 1.1015(4) 0.0047(2) 0.14582(16) 0.0218(7) Uani 1 1 d . . . . .
H54 H 1.147693 -0.052542 0.153647 0.026 Uiso 1 1 calc R . . . .
C55 C 1.0821(4) 0.0724(2) 0.18654(15) 0.0182(6) Uani 1 1 d . . . . .
H55 H 1.113601 0.068872 0.228292 0.022 Uiso 1 1 calc R . . . .
C63 C 1.2324(4) 0.3314(2) 0.05756(16) 0.0223(7) Uani 1 1 d . . . . .
H63 H 1.251913 0.324922 0.017186 0.027 Uiso 1 1 calc R . . . .
C64 C 1.3285(4) 0.3778(3) 0.10076(17) 0.0269(8) Uani 1 1 d . . . . .
H64 H 1.424679 0.408701 0.096231 0.032 Uiso 1 1 calc R . . . .
C65 C 1.2546(4) 0.3697(2) 0.15207(17) 0.0223(7) Uani 1 1 d . . . . .
H65 H 1.291553 0.394861 0.189824 0.027 Uiso 1 1 calc R . . . .
C73 C 0.7251(4) 0.4276(2) 0.02903(17) 0.0234(7) Uani 1 1 d . . . . .
H73 H 0.698948 0.428475 -0.013067 0.028 Uiso 1 1 calc R . . . .
C74 C 0.7032(5) 0.4973(2) 0.06706(17) 0.0264(8) Uani 1 1 d . . . . .
H74 H 0.659749 0.554526 0.056949 0.032 Uiso 1 1 calc R . . . .
C75 C 0.7588(4) 0.4653(2) 0.12350(17) 0.0224(7) Uani 1 1 d . . . . .
H75 H 0.760096 0.498140 0.159541 0.027 Uiso 1 1 calc R . . . .
C83 C 0.5287(4) 0.1625(2) 0.08849(16) 0.0199(7) Uani 1 1 d . . . . .
H83 H 0.481344 0.141213 0.050864 0.024 Uiso 1 1 calc R . . . .
C84 C 0.4541(4) 0.1650(2) 0.13994(16) 0.0218(7) Uani 1 1 d . . . . .
H84 H 0.348614 0.146414 0.144611 0.026 Uiso 1 1 calc R . . . .
C85 C 0.5665(4) 0.2003(2) 0.18300(16) 0.0197(7) Uani 1 1 d . . . . .
H85 H 0.551261 0.210930 0.223433 0.024 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
Ta1 Ta2 3.1895(7) . ?
Ta1 N11 2.183(3) . ?
Ta1 N12 2.189(3) . ?
Ta1 N21 2.192(3) . ?
Ta1 N22 2.159(3) . ?
Ta1 N51 2.248(3) . ?
Ta1 N61 2.126(3) . ?
Ta1 N71 2.258(3) . ?
Ta1 N81 2.122(3) . ?
Ta2 N31 2.169(3) . ?
Ta2 N32 2.172(3) . ?
Ta2 N41 2.179(3) . ?
Ta2 N42 2.189(3) . ?
Ta2 N52 2.130(3) . ?
Ta2 N62 2.258(3) . ?
Ta2 N72 2.128(3) . ?
Ta2 N82 2.248(3) . ?
N11 N12 1.361(4) . ?
N11 C15 1.338(5) . ?
N12 C13 1.328(5) . ?
N21 N22 1.354(4) . ?
N21 C25 1.331(4) . ?
N22 C23 1.334(4) . ?
N31 N32 1.354(4) . ?
N31 C35 1.337(4) . ?
N32 C33 1.342(5) . ?
N41 N42 1.347(4) . ?
N41 C45 1.333(5) . ?
N42 C43 1.337(5) . ?
N51 N52 1.355(4) . ?
N51 C55 1.349(4) . ?
N52 C53 1.337(4) . ?
N61 N62 1.354(4) . ?
N61 C65 1.344(4) . ?
N62 C63 1.345(4) . ?
N71 N72 1.354(4) . ?
N71 C75 1.338(4) . ?
N72 C73 1.349(4) . ?
N81 N82 1.363(4) . ?
N81 C85 1.344(4) . ?
N82 C83 1.339(4) . ?
C13 H13 0.9500 . ?
C13 C14 1.382(6) . ?
C14 H14 0.9500 . ?
C14 C15 1.393(6) . ?
C15 H15 0.9500 . ?
C23 H23 0.9500 . ?
C23 C24 1.388(5) . ?
C24 H24 0.9500 . ?
C24 C25 1.397(5) . ?
C25 H25 0.9500 . ?
C33 H33 0.9500 . ?
C33 C34 1.380(7) . ?
C34 H34 0.9500 . ?
C34 C35 1.376(6) . ?
C35 H35 0.9500 . ?
C43 H43 0.9500 . ?
C43 C44 1.392(6) . ?
C44 H44 0.9500 . ?
C44 C45 1.384(6) . ?
C45 H45 0.9500 . ?
C53 H53 0.9500 . ?
C53 C54 1.380(5) . ?
C54 H54 0.9500 . ?
C54 C55 1.391(5) . ?
C55 H55 0.9500 . ?
C63 H63 0.9500 . ?
C63 C64 1.381(5) . ?
C64 H64 0.9500 . ?
C64 C65 1.383(5) . ?
C65 H65 0.9500 . ?
C73 H73 0.9500 . ?
C73 C74 1.379(5) . ?
C74 H74 0.9500 . ?
C74 C75 1.390(5) . ?
C75 H75 0.9500 . ?
C83 H83 0.9500 . ?
C83 C84 1.385(5) . ?
C84 H84 0.9500 . ?
C84 C85 1.381(5) . ?
C85 H85 0.9500 . ?

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
N11 Ta1 Ta2 134.00(8) . . ?
N11 Ta1 N12 36.29(11) . . ?
N11 Ta1 N21 79.82(11) . . ?
N11 Ta1 N51 75.60(10) . . ?
N11 Ta1 N71 152.33(10) . . ?
N12 Ta1 Ta2 134.26(7) . . ?
N12 Ta1 N21 89.80(11) . . ?
N12 Ta1 N51 75.12(10) . . ?
N12 Ta1 N71 154.74(10) . . ?
N21 Ta1 Ta2 135.92(8) . . ?
N21 Ta1 N51 154.12(10) . . ?
N21 Ta1 N71 76.18(11) . . ?
N22 Ta1 Ta2 133.60(8) . . ?
N22 Ta1 N11 92.38(11) . . ?
N22 Ta1 N12 80.08(11) . . ?
N22 Ta1 N21 36.24(10) . . ?
N22 Ta1 N51 151.67(10) . . ?
N22 Ta1 N71 76.21(11) . . ?
N51 Ta1 Ta2 62.55(7) . . ?
N51 Ta1 N71 124.99(10) . . ?
N61 Ta1 Ta2 68.14(8) . . ?
N61 Ta1 N11 88.32(11) . . ?
N61 Ta1 N12 123.36(11) . . ?
N61 Ta1 N21 90.08(11) . . ?
N61 Ta1 N22 124.57(11) . . ?
N61 Ta1 N51 81.30(10) . . ?
N61 Ta1 N71 78.23(10) . . ?
N71 Ta1 Ta2 62.44(7) . . ?
N81 Ta1 Ta2 67.98(8) . . ?
N81 Ta1 N11 125.31(11) . . ?
N81 Ta1 N12 90.14(11) . . ?
N81 Ta1 N21 120.35(11) . . ?
N81 Ta1 N22 85.34(11) . . ?
N81 Ta1 N51 81.27(10) . . ?
N81 Ta1 N61 136.03(10) . . ?
N81 Ta1 N71 79.45(10) . . ?
N31 Ta2 Ta1 133.11(8) . . ?
N31 Ta2 N32 36.36(11) . . ?
N31 Ta2 N41 92.95(11) . . ?
N31 Ta2 N42 79.98(11) . . ?
N31 Ta2 N62 153.27(11) . . ?
N31 Ta2 N82 75.07(10) . . ?
N32 Ta2 Ta1 135.83(8) . . ?
N32 Ta2 N41 79.61(11) . . ?
N32 Ta2 N42 88.72(11) . . ?
N32 Ta2 N62 153.23(11) . . ?
N32 Ta2 N82 76.20(11) . . ?
N41 Ta2 Ta1 133.93(8) . . ?
N41 Ta2 N42 35.92(11) . . ?
N41 Ta2 N62 75.37(11) . . ?
N41 Ta2 N82 152.49(11) . . ?
N42 Ta2 Ta1 135.45(8) . . ?
N42 Ta2 N62 76.57(11) . . ?
N42 Ta2 N82 153.66(10) . . ?
N52 Ta2 Ta1 67.98(7) . . ?
N52 Ta2 N31 86.47(11) . . ?
N52 Ta2 N32 121.92(11) . . ?
N52 Ta2 N41 124.33(11) . . ?
N52 Ta2 N42 89.97(11) . . ?
N52 Ta2 N62 80.89(10) . . ?
N52 Ta2 N82 80.29(10) . . ?
N62 Ta2 Ta1 62.43(7) . . ?
N72 Ta2 Ta1 68.19(8) . . ?
N72 Ta2 N31 124.47(11) . . ?
N72 Ta2 N32 90.01(11) . . ?
N72 Ta2 N41 87.69(11) . . ?
N72 Ta2 N42 122.62(11) . . ?
N72 Ta2 N52 136.16(10) . . ?
N72 Ta2 N62 79.72(10) . . ?
N72 Ta2 N82 79.48(10) . . ?
N82 Ta2 Ta1 62.68(7) . . ?
N82 Ta2 N62 125.10(10) . . ?
N12 N11 Ta1 72.11(18) . . ?
C15 N11 Ta1 174.8(3) . . ?
C15 N11 N12 109.0(3) . . ?
N11 N12 Ta1 71.60(18) . . ?
C13 N12 Ta1 174.3(3) . . ?
C13 N12 N11 107.7(3) . . ?
N22 N21 Ta1 70.57(17) . . ?
C25 N21 Ta1 177.9(3) . . ?
C25 N21 N22 108.3(3) . . ?
N21 N22 Ta1 73.18(17) . . ?
C23 N22 Ta1 177.1(3) . . ?
C23 N22 N21 109.0(3) . . ?
N32 N31 Ta2 71.94(18) . . ?
C35 N31 Ta2 178.7(3) . . ?
C35 N31 N32 108.6(3) . . ?
N31 N32 Ta2 71.70(17) . . ?
C33 N32 Ta2 178.8(3) . . ?
C33 N32 N31 107.8(3) . . ?
N42 N41 Ta2 72.45(17) . . ?
C45 N41 Ta2 178.4(3) . . ?
C45 N41 N42 109.0(3) . . ?
N41 N42 Ta2 71.63(18) . . ?
C43 N42 Ta2 178.6(3) . . ?
C43 N42 N41 108.6(3) . . ?
N52 N51 Ta1 116.57(19) . . ?
C55 N51 Ta1 136.4(2) . . ?
C55 N51 N52 106.9(3) . . ?
N51 N52 Ta2 112.86(19) . . ?
C53 N52 Ta2 137.8(2) . . ?
C53 N52 N51 109.3(3) . . ?
N62 N61 Ta1 113.03(19) . . ?
C65 N61 Ta1 137.6(2) . . ?
C65 N61 N62 109.2(3) . . ?
N61 N62 Ta2 116.32(19) . . ?
C63 N62 Ta2 135.8(2) . . ?
C63 N62 N61 107.3(3) . . ?
N72 N71 Ta1 116.4(2) . . ?
C75 N71 Ta1 135.8(2) . . ?
C75 N71 N72 107.7(3) . . ?
N71 N72 Ta2 112.9(2) . . ?
C73 N72 Ta2 138.4(2) . . ?
C73 N72 N71 108.6(3) . . ?
N82 N81 Ta1 113.3(2) . . ?
C85 N81 Ta1 137.8(2) . . ?
C85 N81 N82 108.6(3) . . ?
N81 N82 Ta2 116.03(19) . . ?
C83 N82 Ta2 136.3(2) . . ?
C83 N82 N81 107.5(3) . . ?
N12 C13 H13 125.0 . . ?
N12 C13 C14 110.1(3) . . ?
C14 C13 H13 125.0 . . ?
C13 C14 H14 127.6 . . ?
C13 C14 C15 104.8(3) . . ?
C15 C14 H14 127.6 . . ?
N11 C15 C14 108.4(3) . . ?
N11 C15 H15 125.8 . . ?
C14 C15 H15 125.8 . . ?
N22 C23 H23 125.6 . . ?
N22 C23 C24 108.7(3) . . ?
C24 C23 H23 125.6 . . ?
C23 C24 H24 127.6 . . ?
C23 C24 C25 104.9(3) . . ?
C25 C24 H24 127.6 . . ?
N21 C25 C24 109.0(3) . . ?
N21 C25 H25 125.5 . . ?
C24 C25 H25 125.5 . . ?
N32 C33 H33 125.4 . . ?
N32 C33 C34 109.2(4) . . ?
C34 C33 H33 125.4 . . ?
C33 C34 H34 127.3 . . ?
C35 C34 C33 105.3(3) . . ?
C35 C34 H34 127.3 . . ?
N31 C35 C34 109.1(4) . . ?
N31 C35 H35 125.5 . . ?
C34 C35 H35 125.5 . . ?
N42 C43 H43 125.8 . . ?
N42 C43 C44 108.4(4) . . ?
C44 C43 H43 125.8 . . ?
C43 C44 H44 127.3 . . ?
C45 C44 C43 105.3(3) . . ?
C45 C44 H44 127.3 . . ?
N41 C45 C44 108.7(4) . . ?
N41 C45 H45 125.7 . . ?
C44 C45 H45 125.7 . . ?
N52 C53 H53 125.3 . . ?
N52 C53 C54 109.4(3) . . ?
C54 C53 H53 125.3 . . ?
C53 C54 H54 127.8 . . ?
C53 C54 C55 104.4(3) . . ?
C55 C54 H54 127.8 . . ?
N51 C55 C54 109.9(3) . . ?
N51 C55 H55 125.1 . . ?
C54 C55 H55 125.1 . . ?
N62 C63 H63 125.1 . . ?
N62 C63 C64 109.7(3) . . ?
C64 C63 H63 125.1 . . ?
C63 C64 H64 127.4 . . ?
C63 C64 C65 105.2(3) . . ?
C65 C64 H64 127.4 . . ?
N61 C65 C64 108.5(3) . . ?
N61 C65 H65 125.7 . . ?
C64 C65 H65 125.7 . . ?
N72 C73 H73 125.4 . . ?
N72 C73 C74 109.1(3) . . ?
C74 C73 H73 125.4 . . ?
C73 C74 H74 127.6 . . ?
C73 C74 C75 104.7(3) . . ?
C75 C74 H74 127.6 . . ?
N71 C75 C74 109.8(3) . . ?
N71 C75 H75 125.1 . . ?
C74 C75 H75 125.1 . . ?
N82 C83 H83 125.1 . . ?
N82 C83 C84 109.9(3) . . ?
C84 C83 H83 125.1 . . ?
C83 C84 H84 127.5 . . ?
C85 C84 C83 105.0(3) . . ?
C85 C84 H84 127.5 . . ?
N81 C85 C84 109.0(3) . . ?
N81 C85 H85 125.5 . . ?
C84 C85 H85 125.5 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
