#------------------------------------------------------------------------------
#$Date: 2025-07-06 19:49:22 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300939 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/86/7718614.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7718614
loop_
_publ_author_name
'Suryadevara, Nithin'
'Bagio, Stanley'
'Hay, Moya A.'
'Gable, Robert W.'
'Boskovic, Colette'
_publ_section_title
;
 Enhancing redox functionality in dinuclear europium complexes.
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9208
_journal_page_last               9218
_journal_paper_doi               10.1039/d5dt00302d
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C54 H36 Br12 Eu2 N8 O6, C2 H3 N'
_chemical_formula_sum            'C56 H39 Br12 Eu2 N9 O6'
_chemical_formula_weight         2196.80
_chemical_name_systematic        SB1-69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2024-08-23
_audit_creation_method
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_audit_update_record
;
2025-01-29 deposited with the CCDC.	2025-05-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.47(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.799(3)
_cell_length_b                   13.467(3)
_cell_length_c                   34.005(7)
_cell_measurement_reflns_used    4545
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.26
_cell_measurement_theta_min      1.61
_cell_volume                     6250(2)
_computing_cell_refinement       'XDS (Kabsch, 2010)'
_computing_data_collection       'AS QEGUI'
_computing_data_reduction        'XDS (Kabsch, 2010)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 13.3
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_device_type  'MX2 Beamline Australian Synchrotron'
_diffrn_measurement_method       'Omega Scan'
_diffrn_radiation_monochromator  'Silicon Double Crystal'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71076
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_unetI/netI     0.0253
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.844
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       49
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_number            109138
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.844
_diffrn_reflns_theta_full        25.243
_diffrn_reflns_theta_max         32.212
_diffrn_reflns_theta_min         1.211
_diffrn_source                   'MX2 Beamline Australian Synchrotron'
_exptl_absorpt_coefficient_mu    9.717
_exptl_absorpt_correction_T_max  0.4345
_exptl_absorpt_correction_T_min  0.1606
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'XDS (Kabsch, 2010)'
_exptl_crystal_colour            'dark red'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    2.335
_exptl_crystal_description       block
_exptl_crystal_F_000             4128
_exptl_crystal_recrystallization_method 'Crystallized from acetonitrile'
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.740
_refine_diff_density_min         -1.923
_refine_diff_density_rms         0.158
_refine_ls_extinction_coef       0.00128(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     768
_refine_ls_number_reflns         18620
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0396P)²+14.0191P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0772
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18434
_reflns_number_total             18620
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt00302d2.cif
_cod_data_source_block           cxasap
_cod_depositor_comments
'Adding full bibliography for 7718613--7718615.cif.'
_cod_database_code               7718614
_shelx_shelxl_version_number     2019/3
_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.
;
_shelx_estimated_absorpt_t_max   0.593
_shelx_estimated_absorpt_t_min   0.510
_diffrn_measurement_detector_type 'Dectris Eiger 16M'
_olex2_refinement_description
;
1.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C31(H31A,H31B), C7(H7A,H7B), C1(H1A,H1B), C13(H13A,H13B),
 C19(H19A,H19B)
1.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C36(H36), C18(H18), C35(H35), C11(H11), C21(H21), C12(H12), C3(H3),
 C27(H27), C17(H17), C22(H22), C30(H30), C28(H28), C5(H5), C34(H34), C9(H9),
 C29(H29), C33(H33), C24(H24), C16(H16), C6(H6), C23(H23), C10(H10), C15(H15)
1.c Idealised Me refined as rotating group:
 C56(H56A,H56B,H56C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Eu1 Eu 0.83330(2) 0.38958(2) 0.61815(2) 0.00989(4) Uani 1 1 d . . . . .
Eu2 Eu 0.61455(2) 0.25629(2) 0.63542(2) 0.01009(4) Uani 1 1 d . . . . .
Br1 Br 0.78207(2) 0.37271(2) 0.46048(2) 0.01778(6) Uani 1 1 d . . . . .
Br4 Br 0.73685(2) 0.00412(2) 0.58184(2) 0.01759(6) Uani 1 1 d . . . . .
Br8 Br 0.60077(2) 0.42327(2) 0.77314(2) 0.01864(6) Uani 1 1 d . . . . .
Br12 Br 0.44301(2) 0.49762(2) 0.58913(2) 0.01811(6) Uani 1 1 d . . . . .
Br9 Br 0.77692(2) 0.62541(2) 0.73802(2) 0.01834(6) Uani 1 1 d . . . . .
Br3 Br 0.76804(2) -0.04617(2) 0.48937(2) 0.01950(6) Uani 1 1 d . . . . .
Br5 Br 1.00203(2) 0.25835(2) 0.71467(2) 0.01919(6) Uani 1 1 d . . . . .
Br10 Br 0.54429(2) 0.70026(2) 0.73699(2) 0.02055(6) Uani 1 1 d . . . . .
Br11 Br 0.39021(2) 0.66990(2) 0.65339(2) 0.02521(7) Uani 1 1 d . . . . .
Br2 Br 0.77318(2) 0.14255(2) 0.42548(2) 0.02393(6) Uani 1 1 d . . . . .
Br7 Br 0.80938(2) 0.43562(3) 0.83514(2) 0.02781(7) Uani 1 1 d . . . . .
Br6 Br 1.00946(2) 0.33608(3) 0.80795(2) 0.02888(7) Uani 1 1 d . . . . .
O2 O 0.73849(14) 0.22866(14) 0.59681(5) 0.0129(3) Uani 1 1 d . . . . .
O1 O 0.78174(14) 0.37418(14) 0.54985(5) 0.0136(3) Uani 1 1 d . . . . .
O3 O 0.79148(14) 0.27464(14) 0.66882(5) 0.0128(3) Uani 1 1 d . . . . .
O4 O 0.62854(14) 0.31695(15) 0.69720(5) 0.0144(3) Uani 1 1 d . . . . .
O6 O 0.65284(13) 0.41733(13) 0.61365(5) 0.0120(3) Uani 1 1 d . . . . .
O5 O 0.79034(13) 0.48804(14) 0.66815(6) 0.0129(3) Uani 1 1 d . . . . .
N3 N 0.85487(17) 0.58111(17) 0.59541(7) 0.0155(4) Uani 1 1 d . . . . .
N4 N 0.95050(17) 0.24303(17) 0.60382(7) 0.0148(4) Uani 1 1 d . . . . .
N8 N 0.53387(17) 0.24278(17) 0.56019(7) 0.0151(4) Uani 1 1 d . . . . .
N6 N 0.64023(17) 0.08329(17) 0.66740(7) 0.0152(4) Uani 1 1 d . . . . .
N2 N 0.99473(16) 0.47376(17) 0.65925(7) 0.0141(4) Uani 1 1 d . . . . .
N1 N 0.98598(16) 0.42877(16) 0.57639(7) 0.0133(4) Uani 1 1 d . . . . .
N7 N 0.43759(17) 0.30088(17) 0.65493(7) 0.0154(4) Uani 1 1 d . . . . .
N5 N 0.46653(16) 0.12532(17) 0.61476(7) 0.0138(4) Uani 1 1 d . . . . .
C52 C 0.51228(18) 0.60352(19) 0.66160(8) 0.0152(5) Uani 1 1 d . . . . .
C2 C 0.92216(19) 0.6020(2) 0.57173(8) 0.0151(4) Uani 1 1 d . . . . .
C53 C 0.58024(19) 0.62454(19) 0.69472(8) 0.0150(4) Uani 1 1 d . . . . .
C54 C 0.67584(18) 0.58668(19) 0.69721(8) 0.0135(4) Uani 1 1 d . . . . .
C51 C 0.53597(19) 0.53536(19) 0.63310(8) 0.0145(4) Uani 1 1 d . . . . .
C32 C 0.3575(2) 0.2462(2) 0.64112(8) 0.0156(5) Uani 1 1 d . . . . .
C26 C 0.49693(19) 0.1550(2) 0.54629(8) 0.0152(4) Uani 1 1 d . . . . .
C39 C 0.75036(19) 0.10805(19) 0.54570(8) 0.0142(4) Uani 1 1 d . . . . .
C4 C 0.9084(2) 0.7774(2) 0.58154(10) 0.0239(6) Uani 1 1 d . . . . .
H4 H 0.926530 0.843899 0.576781 0.029 Uiso 1 1 calc R U . . .
C8 C 1.07144(19) 0.4972(2) 0.64102(8) 0.0152(4) Uani 1 1 d . . . . .
C36 C 0.4276(2) 0.3708(2) 0.68223(8) 0.0173(5) Uani 1 1 d . . . . .
H36 H 0.483289 0.409544 0.692275 0.021 Uiso 1 1 calc R U . . .
C18 C 0.9452(2) 0.1551(2) 0.62208(8) 0.0175(5) Uani 1 1 d . . . . .
H18 H 0.908750 0.151238 0.643640 0.021 Uiso 1 1 calc R U . . .
C45 C 0.71685(19) 0.3694(2) 0.75920(8) 0.0145(4) Uani 1 1 d . . . . .
C35 C 0.3402(2) 0.3893(2) 0.69655(9) 0.0208(5) Uani 1 1 d . . . . .
H35 H 0.335969 0.440876 0.715294 0.025 Uiso 1 1 calc R U . . .
C46 C 0.8059(2) 0.3757(2) 0.78476(8) 0.0176(5) Uani 1 1 d . . . . .
C11 C 1.0678(2) 0.5701(2) 0.71520(10) 0.0236(6) Uani 1 1 d . . . . .
H11 H 1.065473 0.592536 0.741529 0.028 Uiso 1 1 calc R U . . .
C25 C 0.4817(2) 0.0781(2) 0.57693(8) 0.0166(5) Uani 1 1 d . . . . .
H25A H 0.423876 0.036927 0.566839 0.020 Uiso 1 1 calc R U . . .
H25B H 0.539584 0.033916 0.581621 0.020 Uiso 1 1 calc R U . . .
C31 C 0.36894(19) 0.1738(2) 0.60865(8) 0.0166(5) Uani 1 1 d . . . . .
H31A H 0.317430 0.122277 0.607632 0.020 Uiso 1 1 calc R U . . .
H31B H 0.359807 0.208965 0.582810 0.020 Uiso 1 1 calc R U . . .
C21 C 0.5881(2) -0.0860(2) 0.67068(9) 0.0201(5) Uani 1 1 d . . . . .
H21 H 0.537907 -0.134312 0.664749 0.024 Uiso 1 1 calc R U . . .
C38 C 0.75085(18) 0.20494(19) 0.56000(7) 0.0120(4) Uani 1 1 d . . . . .
C12 C 0.9933(2) 0.5106(2) 0.69590(8) 0.0175(5) Uani 1 1 d . . . . .
H12 H 0.939189 0.495262 0.709147 0.021 Uiso 1 1 calc R U . . .
C3 C 0.9514(2) 0.6986(2) 0.56451(9) 0.0212(5) Uani 1 1 d . . . . .
H3 H 1.000346 0.710182 0.548096 0.025 Uiso 1 1 calc R U . . .
C49 C 0.70222(18) 0.52141(18) 0.66852(7) 0.0122(4) Uani 1 1 d . . . . .
C41 C 0.7690(2) 0.1653(2) 0.48003(8) 0.0157(5) Uani 1 1 d . . . . .
C44 C 0.71107(19) 0.32796(19) 0.72130(7) 0.0131(4) Uani 1 1 d . . . . .
C50 C 0.62744(18) 0.48944(18) 0.63741(7) 0.0118(4) Uani 1 1 d . . . . .
C20 C 0.5696(2) 0.0135(2) 0.66131(8) 0.0156(5) Uani 1 1 d . . . . .
C27 C 0.4766(2) 0.1338(2) 0.50594(8) 0.0197(5) Uani 1 1 d . . . . .
H27 H 0.448869 0.071756 0.497103 0.024 Uiso 1 1 calc R U . . .
C47 C 0.8908(2) 0.3400(2) 0.77252(8) 0.0180(5) Uani 1 1 d . . . . .
C7 C 1.07991(19) 0.4449(2) 0.60260(8) 0.0177(5) Uani 1 1 d . . . . .
H7A H 1.123490 0.484203 0.587914 0.021 Uiso 1 1 calc R U . . .
H7B H 1.111521 0.379605 0.608813 0.021 Uiso 1 1 calc R U . . .
C1 C 0.9596(2) 0.51596(19) 0.55048(8) 0.0157(5) Uani 1 1 d . . . . .
H1A H 0.908761 0.495974 0.528237 0.019 Uiso 1 1 calc R U . . .
H1B H 1.018025 0.537461 0.538989 0.019 Uiso 1 1 calc R U . . .
C17 C 0.9904(2) 0.0701(2) 0.61099(10) 0.0227(6) Uani 1 1 d . . . . .
H17 H 0.985233 0.009257 0.624696 0.027 Uiso 1 1 calc R U . . .
C22 C 0.6809(2) -0.1136(2) 0.68881(10) 0.0231(6) Uani 1 1 d . . . . .
H22 H 0.694973 -0.180924 0.695697 0.028 Uiso 1 1 calc R U . . .
C43 C 0.79983(18) 0.30101(18) 0.70704(7) 0.0125(4) Uani 1 1 d . . . . .
C30 C 0.55275(19) 0.3111(2) 0.53355(8) 0.0165(5) Uani 1 1 d . . . . .
H30 H 0.577916 0.373760 0.543008 0.020 Uiso 1 1 calc R U . . .
C14 C 1.0012(2) 0.2470(2) 0.57301(9) 0.0174(5) Uani 1 1 d . . . . .
C48 C 0.88706(19) 0.3034(2) 0.73348(8) 0.0153(4) Uani 1 1 d . . . . .
C40 C 0.76102(19) 0.0873(2) 0.50600(8) 0.0149(4) Uani 1 1 d . . . . .
C28 C 0.4974(2) 0.2045(3) 0.47870(9) 0.0239(6) Uani 1 1 d . . . . .
H28 H 0.484670 0.191518 0.450963 0.029 Uiso 1 1 calc R U . . .
C37 C 0.77004(18) 0.28549(19) 0.53462(7) 0.0123(4) Uani 1 1 d . . . . .
C56 C 0.6668(2) 0.5700(2) 0.51896(10) 0.0266(6) Uani 1 1 d . . . . .
H56A H 0.605627 0.546301 0.503517 0.040 Uiso 1 1 calc R U . . .
H56B H 0.652581 0.602710 0.543211 0.040 Uiso 1 1 calc R U . . .
H56C H 0.710802 0.513629 0.526099 0.040 Uiso 1 1 calc R U . . .
C5 C 0.8380(2) 0.7572(2) 0.60571(10) 0.0224(6) Uani 1 1 d . . . . .
H5 H 0.806359 0.809527 0.617586 0.027 Uiso 1 1 calc R U . . .
C55 C 0.7135(3) 0.6402(3) 0.49534(11) 0.0290(6) Uani 1 1 d . . . . .
N9 N 0.7501(3) 0.6948(3) 0.47646(13) 0.0462(9) Uani 1 1 d . . . . .
C34 C 0.2594(2) 0.3315(2) 0.68307(9) 0.0228(6) Uani 1 1 d . . . . .
H34 H 0.199001 0.341693 0.692736 0.027 Uiso 1 1 calc R U . . .
C9 C 1.1467(2) 0.5594(2) 0.65780(10) 0.0224(5) Uani 1 1 d . . . . .
H9 H 1.198308 0.576457 0.643410 0.027 Uiso 1 1 calc R U . . .
C13 C 1.0000(2) 0.3434(2) 0.55062(8) 0.0158(5) Uani 1 1 d . . . . .
H13A H 1.062613 0.351196 0.539996 0.019 Uiso 1 1 calc R U . . .
H13B H 0.946335 0.341949 0.527828 0.019 Uiso 1 1 calc R U . . .
C29 C 0.5371(2) 0.2944(2) 0.49276(8) 0.0207(5) Uani 1 1 d . . . . .
H29 H 0.553380 0.343684 0.474866 0.025 Uiso 1 1 calc R U . . .
C33 C 0.2681(2) 0.2581(2) 0.65511(10) 0.0217(5) Uani 1 1 d . . . . .
H33 H 0.214037 0.216531 0.645654 0.026 Uiso 1 1 calc R U . . .
C24 C 0.7300(2) 0.0556(2) 0.68493(9) 0.0188(5) Uani 1 1 d . . . . .
H24 H 0.779988 0.104542 0.689410 0.023 Uiso 1 1 calc R U . . .
C16 C 1.0435(3) 0.0754(3) 0.57947(12) 0.0327(8) Uani 1 1 d . . . . .
H16 H 1.075640 0.018242 0.571279 0.039 Uiso 1 1 calc R U . . .
C6 C 0.8150(2) 0.6586(2) 0.61215(9) 0.0193(5) Uani 1 1 d . . . . .
H6 H 0.768373 0.645162 0.629398 0.023 Uiso 1 1 calc R U . . .
C19 C 0.4678(2) 0.0495(2) 0.64616(8) 0.0170(5) Uani 1 1 d . . . . .
H19A H 0.427016 -0.007615 0.635501 0.020 Uiso 1 1 calc R U . . .
H19B H 0.438566 0.077837 0.668561 0.020 Uiso 1 1 calc R U . . .
C42 C 0.77405(19) 0.26302(19) 0.49459(8) 0.0139(4) Uani 1 1 d . . . . .
C23 C 0.7528(2) -0.0412(2) 0.69673(10) 0.0230(6) Uani 1 1 d . . . . .
H23 H 0.816293 -0.057652 0.709960 0.028 Uiso 1 1 calc R U . . .
C10 C 1.1455(2) 0.5964(3) 0.69586(11) 0.0272(6) Uani 1 1 d . . . . .
H10 H 1.196300 0.638490 0.708201 0.033 Uiso 1 1 calc R U . . .
C15 C 1.0490(3) 0.1651(2) 0.56009(10) 0.0275(7) Uani 1 1 d . . . . .
H15 H 1.084697 0.170621 0.538350 0.033 Uiso 1 1 calc R U . . .
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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 Eu1 N3 142.04(7) . . ?
O2 Eu1 N4 67.63(7) . . ?
O2 Eu1 N2 147.59(6) . . ?
O2 Eu1 N1 114.19(6) . . ?
O1 Eu1 O2 65.05(6) . . ?
O1 Eu1 O3 125.09(7) . . ?
O1 Eu1 O6 78.34(7) . . ?
O1 Eu1 N3 80.31(7) . . ?
O1 Eu1 N4 81.68(7) . . ?
O1 Eu1 N2 131.25(7) . . ?
O1 Eu1 N1 69.45(7) . . ?
O3 Eu1 O2 60.29(6) . . ?
O3 Eu1 O6 78.55(6) . . ?
O3 Eu1 N3 147.82(7) . . ?
O3 Eu1 N4 82.63(7) . . ?
O3 Eu1 N2 99.40(7) . . ?
O3 Eu1 N1 139.49(6) . . ?
O6 Eu1 O2 69.46(6) . . ?
O6 Eu1 N3 89.46(6) . . ?
O6 Eu1 N4 137.02(7) . . ?
O6 Eu1 N2 135.03(6) . . ?
O6 Eu1 N1 140.26(6) . . ?
O5 Eu1 O2 121.11(6) . . ?
O5 Eu1 O1 135.38(7) . . ?
O5 Eu1 O3 74.41(7) . . ?
O5 Eu1 O6 66.20(7) . . ?
O5 Eu1 N3 73.43(7) . . ?
O5 Eu1 N4 142.93(7) . . ?
O5 Eu1 N2 70.02(7) . . ?
O5 Eu1 N1 124.70(7) . . ?
N3 Eu1 N1 63.18(7) . . ?
N4 Eu1 N3 124.05(7) . . ?
N4 Eu1 N2 85.89(7) . . ?
N4 Eu1 N1 60.88(7) . . ?
N2 Eu1 N3 68.44(7) . . ?
N2 Eu1 N1 63.36(7) . . ?
O2 Eu2 O3 62.15(6) . . ?
O2 Eu2 O6 75.84(6) . . ?
O2 Eu2 N8 71.55(7) . . ?
O2 Eu2 N6 91.53(7) . . ?
O2 Eu2 N7 160.20(7) . . ?
O2 Eu2 N5 109.69(7) . . ?
O3 Eu2 N8 132.66(7) . . ?
O3 Eu2 N6 80.58(7) . . ?
O3 Eu2 N7 135.49(7) . . ?
O3 Eu2 N5 144.50(7) . . ?
O4 Eu2 O2 128.16(7) . . ?
O4 Eu2 O3 66.51(7) . . ?
O4 Eu2 O6 88.10(7) . . ?
O4 Eu2 N8 154.28(7) . . ?
O4 Eu2 N6 86.92(7) . . ?
O4 Eu2 N7 69.06(7) . . ?
O4 Eu2 N5 116.01(7) . . ?
O6 Eu2 O3 78.92(6) . . ?
O6 Eu2 N8 80.94(7) . . ?
O6 Eu2 N6 159.21(7) . . ?
O6 Eu2 N7 97.16(7) . . ?
O6 Eu2 N5 134.95(7) . . ?
N8 Eu2 N7 89.19(8) . . ?
N8 Eu2 N5 60.69(7) . . ?
N6 Eu2 N8 111.04(7) . . ?
N6 Eu2 N7 99.87(7) . . ?
N6 Eu2 N5 64.67(7) . . ?
N7 Eu2 N5 62.15(7) . . ?
Eu2 O2 Eu1 95.22(6) . . ?
C38 O2 Eu1 109.71(15) . . ?
C38 O2 Eu2 140.86(16) . . ?
C37 O1 Eu1 118.58(16) . . ?
Eu1 O3 Eu2 93.29(6) . . ?
C43 O3 Eu1 121.42(16) . . ?
C43 O3 Eu2 113.51(15) . . ?
C44 O4 Eu2 125.17(16) . . ?
Eu2 O6 Eu1 96.30(6) . . ?
C50 O6 Eu1 114.67(15) . . ?
C50 O6 Eu2 112.52(14) . . ?
C49 O5 Eu1 123.38(16) . . ?
C2 N3 Eu1 118.81(17) . . ?
C6 N3 Eu1 123.13(17) . . ?
C6 N3 C2 116.9(2) . . ?
C18 N4 Eu1 119.77(17) . . ?
C18 N4 C14 117.7(2) . . ?
C14 N4 Eu1 121.14(17) . . ?
C26 N8 Eu2 118.99(17) . . ?
C30 N8 Eu2 120.66(18) . . ?
C30 N8 C26 117.8(2) . . ?
C20 N6 Eu2 121.01(18) . . ?
C24 N6 Eu2 119.91(18) . . ?
C24 N6 C20 118.2(2) . . ?
C8 N2 Eu1 120.47(17) . . ?
C8 N2 C12 117.5(2) . . ?
C12 N2 Eu1 120.76(17) . . ?
C7 N1 Eu1 112.72(15) . . ?
C7 N1 C1 111.1(2) . . ?
C1 N1 Eu1 108.55(15) . . ?
C13 N1 Eu1 109.47(15) . . ?
C13 N1 C7 107.0(2) . . ?
C13 N1 C1 107.9(2) . . ?
C32 N7 Eu2 121.15(17) . . ?
C36 N7 Eu2 121.06(18) . . ?
C36 N7 C32 117.4(2) . . ?
C25 N5 Eu2 107.94(15) . . ?
C25 N5 C31 108.0(2) . . ?
C31 N5 Eu2 112.57(16) . . ?
C19 N5 Eu2 109.52(16) . . ?
C19 N5 C25 110.1(2) . . ?
C19 N5 C31 108.7(2) . . ?
C53 C52 Br11 120.35(19) . . ?
C53 C52 C51 119.7(2) . . ?
C51 C52 Br11 119.9(2) . . ?
N3 C2 C3 122.9(3) . . ?
N3 C2 C1 116.4(2) . . ?
C3 C2 C1 120.5(2) . . ?
C52 C53 Br10 120.50(19) . . ?
C52 C53 C54 119.5(2) . . ?
C54 C53 Br10 120.0(2) . . ?
C53 C54 Br9 121.93(19) . . ?
C49 C54 Br9 116.43(19) . . ?
C49 C54 C53 121.6(2) . . ?
C52 C51 Br12 121.36(19) . . ?
C50 C51 Br12 117.54(19) . . ?
C50 C51 C52 121.0(2) . . ?
N7 C32 C31 116.2(2) . . ?
N7 C32 C33 122.5(3) . . ?
C33 C32 C31 121.3(3) . . ?
N8 C26 C25 116.5(2) . . ?
N8 C26 C27 122.5(3) . . ?
C27 C26 C25 121.0(3) . . ?
C38 C39 Br4 117.59(19) . . ?
C38 C39 C40 121.7(2) . . ?
C40 C39 Br4 120.74(19) . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.6(3) . . ?
C5 C4 H4 120.7 . . ?
N2 C8 C7 117.3(2) . . ?
N2 C8 C9 123.0(3) . . ?
C9 C8 C7 119.3(2) . . ?
N7 C36 H36 118.3 . . ?
N7 C36 C35 123.5(3) . . ?
C35 C36 H36 118.3 . . ?
N4 C18 H18 118.4 . . ?
N4 C18 C17 123.1(3) . . ?
C17 C18 H18 118.4 . . ?
C46 C45 Br8 121.5(2) . . ?
C44 C45 Br8 116.9(2) . . ?
C44 C45 C46 121.5(2) . . ?
C36 C35 H35 120.6 . . ?
C34 C35 C36 118.8(3) . . ?
C34 C35 H35 120.6 . . ?
C45 C46 Br7 119.5(2) . . ?
C47 C46 Br7 120.8(2) . . ?
C47 C46 C45 119.8(2) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C10 C11 C12 119.6(3) . . ?
N5 C25 C26 111.0(2) . . ?
N5 C25 H25A 109.4 . . ?
N5 C25 H25B 109.4 . . ?
C26 C25 H25A 109.4 . . ?
C26 C25 H25B 109.4 . . ?
H25A C25 H25B 108.0 . . ?
N5 C31 C32 112.0(2) . . ?
N5 C31 H31A 109.2 . . ?
N5 C31 H31B 109.2 . . ?
C32 C31 H31A 109.2 . . ?
C32 C31 H31B 109.2 . . ?
H31A C31 H31B 107.9 . . ?
C20 C21 H21 120.5 . . ?
C22 C21 H21 120.5 . . ?
C22 C21 C20 119.0(3) . . ?
O2 C38 C39 124.1(2) . . ?
O2 C38 C37 116.5(2) . . ?
C39 C38 C37 119.4(2) . . ?
N2 C12 C11 122.7(3) . . ?
N2 C12 H12 118.7 . . ?
C11 C12 H12 118.7 . . ?
C2 C3 H3 120.4 . . ?
C4 C3 C2 119.2(3) . . ?
C4 C3 H3 120.4 . . ?
O5 C49 C54 124.3(2) . . ?
O5 C49 C50 117.6(2) . . ?
C54 C49 C50 118.1(2) . . ?
C40 C41 Br2 121.3(2) . . ?
C40 C41 C42 119.3(2) . . ?
C42 C41 Br2 119.42(19) . . ?
O4 C44 C45 123.3(2) . . ?
O4 C44 C43 118.0(2) . . ?
C45 C44 C43 118.7(2) . . ?
O6 C50 C51 124.8(2) . . ?
O6 C50 C49 116.0(2) . . ?
C51 C50 C49 119.2(2) . . ?
N6 C20 C21 122.2(3) . . ?
N6 C20 C19 116.4(2) . . ?
C21 C20 C19 121.3(2) . . ?
C26 C27 H27 120.4 . . ?
C28 C27 C26 119.2(3) . . ?
C28 C27 H27 120.4 . . ?
C46 C47 Br6 120.7(2) . . ?
C46 C47 C48 119.3(2) . . ?
C48 C47 Br6 120.0(2) . . ?
N1 C7 C8 114.8(2) . . ?
N1 C7 H7A 108.6 . . ?
N1 C7 H7B 108.6 . . ?
C8 C7 H7A 108.6 . . ?
C8 C7 H7B 108.6 . . ?
H7A C7 H7B 107.5 . . ?
N1 C1 C2 113.5(2) . . ?
N1 C1 H1A 108.9 . . ?
N1 C1 H1B 108.9 . . ?
C2 C1 H1A 108.9 . . ?
C2 C1 H1B 108.9 . . ?
H1A C1 H1B 107.7 . . ?
C18 C17 H17 120.7 . . ?
C18 C17 C16 118.6(3) . . ?
C16 C17 H17 120.7 . . ?
C21 C22 H22 120.5 . . ?
C21 C22 C23 119.0(3) . . ?
C23 C22 H22 120.5 . . ?
O3 C43 C44 116.2(2) . . ?
O3 C43 C48 125.2(2) . . ?
C48 C43 C44 118.5(2) . . ?
N8 C30 H30 118.5 . . ?
N8 C30 C29 123.0(3) . . ?
C29 C30 H30 118.5 . . ?
N4 C14 C13 117.5(2) . . ?
N4 C14 C15 122.7(3) . . ?
C15 C14 C13 119.7(2) . . ?
C47 C48 Br5 120.9(2) . . ?
C43 C48 Br5 117.47(19) . . ?
C43 C48 C47 121.6(2) . . ?
C39 C40 Br3 119.5(2) . . ?
C41 C40 Br3 121.14(19) . . ?
C41 C40 C39 119.3(2) . . ?
C27 C28 H28 120.7 . . ?
C29 C28 C27 118.6(3) . . ?
C29 C28 H28 120.7 . . ?
O1 C37 C38 118.5(2) . . ?
O1 C37 C42 124.3(2) . . ?
C42 C37 C38 117.2(2) . . ?
H56A C56 H56B 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
C4 C5 H5 120.8 . . ?
C4 C5 C6 118.4(3) . . ?
C6 C5 H5 120.8 . . ?
N9 C55 C56 179.3(5) . . ?
C35 C34 H34 120.6 . . ?
C35 C34 C33 118.8(3) . . ?
C33 C34 H34 120.6 . . ?
C8 C9 H9 120.4 . . ?
C10 C9 C8 119.2(3) . . ?
C10 C9 H9 120.4 . . ?
N1 C13 C14 111.4(2) . . ?
N1 C13 H13A 109.4 . . ?
N1 C13 H13B 109.4 . . ?
C14 C13 H13A 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108.0 . . ?
C30 C29 H29 120.6 . . ?
C28 C29 C30 118.8(3) . . ?
C28 C29 H29 120.6 . . ?
C32 C33 H33 120.5 . . ?
C34 C33 C32 119.0(3) . . ?
C34 C33 H33 120.5 . . ?
N6 C24 H24 118.5 . . ?
N6 C24 C23 122.9(3) . . ?
C23 C24 H24 118.5 . . ?
C17 C16 H16 120.5 . . ?
C15 C16 C17 119.0(3) . . ?
C15 C16 H16 120.5 . . ?
N3 C6 C5 123.9(3) . . ?
N3 C6 H6 118.1 . . ?
C5 C6 H6 118.1 . . ?
N5 C19 C20 112.5(2) . . ?
N5 C19 H19A 109.1 . . ?
N5 C19 H19B 109.1 . . ?
C20 C19 H19A 109.1 . . ?
C20 C19 H19B 109.1 . . ?
H19A C19 H19B 107.8 . . ?
C41 C42 Br1 121.33(19) . . ?
C37 C42 Br1 116.14(19) . . ?
C37 C42 C41 122.5(2) . . ?
C22 C23 H23 120.7 . . ?
C24 C23 C22 118.6(3) . . ?
C24 C23 H23 120.7 . . ?
C11 C10 C9 117.9(3) . . ?
C11 C10 H10 121.1 . . ?
C9 C10 H10 121.1 . . ?
C14 C15 H15 120.6 . . ?
C16 C15 C14 118.8(3) . . ?
C16 C15 H15 120.6 . . ?
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 O2 2.580(2) . ?
Eu1 O1 2.336(2) . ?
Eu1 O3 2.4475(18) . ?
Eu1 O6 2.5003(19) . ?
Eu1 O5 2.3016(19) . ?
Eu1 N3 2.722(2) . ?
Eu1 N4 2.642(2) . ?
Eu1 N2 2.699(2) . ?
Eu1 N1 2.760(2) . ?
Eu2 O2 2.3344(19) . ?
Eu2 O3 2.548(2) . ?
Eu2 O4 2.2358(19) . ?
Eu2 O6 2.3762(18) . ?
Eu2 N8 2.641(2) . ?
Eu2 N6 2.573(2) . ?
Eu2 N7 2.691(2) . ?
Eu2 N5 2.712(2) . ?
Br1 C42 1.891(3) . ?
Br4 C39 1.890(3) . ?
Br8 C45 1.881(3) . ?
Br12 C51 1.891(3) . ?
Br9 C54 1.890(3) . ?
Br3 C40 1.891(3) . ?
Br5 C48 1.896(3) . ?
Br10 C53 1.887(3) . ?
Br11 C52 1.891(3) . ?
Br2 C41 1.890(3) . ?
Br7 C46 1.888(3) . ?
Br6 C47 1.886(3) . ?
O2 C38 1.327(3) . ?
O1 C37 1.302(3) . ?
O3 C43 1.336(3) . ?
O4 C44 1.310(3) . ?
O6 C50 1.342(3) . ?
O5 C49 1.298(3) . ?
N3 C2 1.345(3) . ?
N3 C6 1.344(4) . ?
N4 C18 1.344(3) . ?
N4 C14 1.344(3) . ?
N8 C26 1.346(3) . ?
N8 C30 1.344(3) . ?
N6 C20 1.348(4) . ?
N6 C24 1.346(4) . ?
N2 C8 1.340(3) . ?
N2 C12 1.344(3) . ?
N1 C7 1.477(4) . ?
N1 C1 1.481(3) . ?
N1 C13 1.476(3) . ?
N7 C32 1.353(4) . ?
N7 C36 1.343(4) . ?
N5 C25 1.477(3) . ?
N5 C31 1.483(3) . ?
N5 C19 1.476(3) . ?
C52 C53 1.384(4) . ?
C52 C51 1.408(4) . ?
C2 C3 1.395(4) . ?
C2 C1 1.497(4) . ?
C53 C54 1.405(4) . ?
C54 C49 1.401(3) . ?
C51 C50 1.394(3) . ?
C32 C31 1.499(4) . ?
C32 C33 1.395(4) . ?
C26 C25 1.506(4) . ?
C26 C27 1.389(4) . ?
C39 C38 1.392(3) . ?
C39 C40 1.408(4) . ?
C4 H4 0.9500 . ?
C4 C3 1.385(4) . ?
C4 C5 1.388(4) . ?
C8 C7 1.504(4) . ?
C8 C9 1.390(4) . ?
C36 H36 0.9500 . ?
C36 C35 1.389(4) . ?
C18 H18 0.9500 . ?
C18 C17 1.383(4) . ?
C45 C46 1.399(4) . ?
C45 C44 1.396(3) . ?
C35 H35 0.9500 . ?
C35 C34 1.382(5) . ?
C46 C47 1.385(4) . ?
C11 H11 0.9500 . ?
C11 C12 1.390(4) . ?
C11 C10 1.383(5) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C21 H21 0.9500 . ?
C21 C20 1.392(4) . ?
C21 C22 1.387(4) . ?
C38 C37 1.435(3) . ?
C12 H12 0.9500 . ?
C3 H3 0.9500 . ?
C49 C50 1.431(4) . ?
C41 C40 1.387(4) . ?
C41 C42 1.404(4) . ?
C44 C43 1.429(3) . ?
C20 C19 1.503(4) . ?
C27 H27 0.9500 . ?
C27 C28 1.387(4) . ?
C47 C48 1.410(4) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C17 H17 0.9500 . ?
C17 C16 1.386(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(5) . ?
C43 C48 1.393(4) . ?
C30 H30 0.9500 . ?
C30 C29 1.390(4) . ?
C14 C13 1.503(4) . ?
C14 C15 1.389(4) . ?
C28 H28 0.9500 . ?
C28 C29 1.384(5) . ?
C37 C42 1.403(3) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C56 C55 1.451(5) . ?
C5 H5 0.9500 . ?
C5 C6 1.390(4) . ?
C55 N9 1.142(5) . ?
C34 H34 0.9500 . ?
C34 C33 1.389(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.389(5) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C29 H29 0.9500 . ?
C33 H33 0.9500 . ?
C24 H24 0.9500 . ?
C24 C23 1.386(4) . ?
C16 H16 0.9500 . ?
C16 C15 1.384(5) . ?
C6 H6 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C23 H23 0.9500 . ?
C10 H10 0.9500 . ?
C15 H15 0.9500 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Eu1 O2 C38 C39 149.6(2) . . . . ?
Eu1 O2 C38 C37 -27.5(3) . . . . ?
Eu1 O1 C37 C38 24.3(3) . . . . ?
Eu1 O1 C37 C42 -156.3(2) . . . . ?
Eu1 O3 C43 C44 101.3(2) . . . . ?
Eu1 O3 C43 C48 -79.1(3) . . . . ?
Eu1 O6 C50 C51 162.8(2) . . . . ?
Eu1 O6 C50 C49 -15.6(3) . . . . ?
Eu1 O5 C49 C54 -175.57(19) . . . . ?
Eu1 O5 C49 C50 4.2(3) . . . . ?
Eu1 N3 C2 C3 -167.8(2) . . . . ?
Eu1 N3 C2 C1 16.9(3) . . . . ?
Eu1 N3 C6 C5 169.0(2) . . . . ?
Eu1 N4 C18 C17 167.8(2) . . . . ?
Eu1 N4 C14 C13 8.4(4) . . . . ?
Eu1 N4 C14 C15 -167.8(3) . . . . ?
Eu1 N2 C8 C7 -20.8(3) . . . . ?
Eu1 N2 C8 C9 165.4(2) . . . . ?
Eu1 N2 C12 C11 -168.0(2) . . . . ?
Eu1 N1 C7 C8 -35.4(3) . . . . ?
Eu1 N1 C1 C2 48.9(2) . . . . ?
Eu1 N1 C13 C14 -47.4(2) . . . . ?
Eu2 O2 C38 C39 -84.0(3) . . . . ?
Eu2 O2 C38 C37 98.9(3) . . . . ?
Eu2 O3 C43 C44 -8.5(3) . . . . ?
Eu2 O3 C43 C48 171.1(2) . . . . ?
Eu2 O4 C44 C45 177.67(19) . . . . ?
Eu2 O4 C44 C43 1.2(3) . . . . ?
Eu2 O6 C50 C51 -88.5(3) . . . . ?
Eu2 O6 C50 C49 93.1(2) . . . . ?
Eu2 N8 C26 C25 14.9(3) . . . . ?
Eu2 N8 C26 C27 -163.0(2) . . . . ?
Eu2 N8 C30 C29 160.7(2) . . . . ?
Eu2 N6 C20 C21 165.7(2) . . . . ?
Eu2 N6 C20 C19 -18.0(3) . . . . ?
Eu2 N6 C24 C23 -168.8(2) . . . . ?
Eu2 N7 C32 C31 -11.6(3) . . . . ?
Eu2 N7 C32 C33 170.4(2) . . . . ?
Eu2 N7 C36 C35 -172.8(2) . . . . ?
Eu2 N5 C25 C26 -51.3(2) . . . . ?
Eu2 N5 C31 C32 -45.4(2) . . . . ?
Eu2 N5 C19 C20 -43.0(3) . . . . ?
Br4 C39 C38 O2 -2.8(4) . . . . ?
Br4 C39 C38 C37 174.24(19) . . . . ?
Br4 C39 C40 Br3 -3.0(3) . . . . ?
Br4 C39 C40 C41 178.8(2) . . . . ?
Br8 C45 C46 Br7 2.1(3) . . . . ?
Br8 C45 C46 C47 -176.4(2) . . . . ?
Br8 C45 C44 O4 -6.5(3) . . . . ?
Br8 C45 C44 C43 169.94(18) . . . . ?
Br12 C51 C50 O6 -3.1(3) . . . . ?
Br12 C51 C50 C49 175.24(18) . . . . ?
Br9 C54 C49 O5 -1.0(3) . . . . ?
Br9 C54 C49 C50 179.26(18) . . . . ?
Br10 C53 C54 Br9 -9.9(3) . . . . ?
Br10 C53 C54 C49 172.96(19) . . . . ?
Br11 C52 C53 Br10 11.8(3) . . . . ?
Br11 C52 C53 C54 -169.96(19) . . . . ?
Br11 C52 C51 Br12 -6.7(3) . . . . ?
Br11 C52 C51 C50 176.56(19) . . . . ?
Br2 C41 C40 Br3 6.8(3) . . . . ?
Br2 C41 C40 C39 -175.0(2) . . . . ?
Br2 C41 C42 Br1 1.4(3) . . . . ?
Br2 C41 C42 C37 179.1(2) . . . . ?
Br7 C46 C47 Br6 7.4(3) . . . . ?
Br7 C46 C47 C48 -174.6(2) . . . . ?
Br6 C47 C48 Br5 -4.4(3) . . . . ?
Br6 C47 C48 C43 177.1(2) . . . . ?
O2 C38 C37 O1 5.3(3) . . . . ?
O2 C38 C37 C42 -174.1(2) . . . . ?
O1 C37 C42 Br1 -7.5(3) . . . . ?
O1 C37 C42 C41 174.7(2) . . . . ?
O3 C43 C48 Br5 -3.9(4) . . . . ?
O3 C43 C48 C47 174.7(2) . . . . ?
O4 C44 C43 O3 5.6(3) . . . . ?
O4 C44 C43 C48 -174.0(2) . . . . ?
O5 C49 C50 O6 8.6(3) . . . . ?
O5 C49 C50 C51 -169.9(2) . . . . ?
N3 C2 C3 C4 -1.5(5) . . . . ?
N3 C2 C1 N1 -46.2(3) . . . . ?
N4 C18 C17 C16 -0.2(5) . . . . ?
N4 C14 C13 N1 28.2(4) . . . . ?
N4 C14 C15 C16 0.5(6) . . . . ?
N8 C26 C25 N5 26.3(3) . . . . ?
N8 C26 C27 C28 1.8(4) . . . . ?
N8 C30 C29 C28 2.1(4) . . . . ?
N6 C20 C19 N5 42.4(3) . . . . ?
N6 C24 C23 C22 2.5(5) . . . . ?
N2 C8 C7 N1 38.5(3) . . . . ?
N2 C8 C9 C10 2.8(5) . . . . ?
N7 C32 C31 N5 38.4(3) . . . . ?
N7 C32 C33 C34 2.8(4) . . . . ?
N7 C36 C35 C34 1.9(4) . . . . ?
C52 C53 C54 Br9 171.9(2) . . . . ?
C52 C53 C54 C49 -5.3(4) . . . . ?
C52 C51 C50 O6 173.7(2) . . . . ?
C52 C51 C50 C49 -7.9(4) . . . . ?
C2 N3 C6 C5 1.3(5) . . . . ?
C53 C52 C51 Br12 175.9(2) . . . . ?
C53 C52 C51 C50 -0.8(4) . . . . ?
C53 C54 C49 O5 176.4(2) . . . . ?
C53 C54 C49 C50 -3.4(4) . . . . ?
C54 C49 C50 O6 -171.6(2) . . . . ?
C54 C49 C50 C51 9.9(4) . . . . ?
C51 C52 C53 Br10 -170.8(2) . . . . ?
C51 C52 C53 C54 7.4(4) . . . . ?
C32 N7 C36 C35 -0.3(4) . . . . ?
C26 N8 C30 C29 -0.9(4) . . . . ?
C26 C27 C28 C29 -0.5(4) . . . . ?
C39 C38 C37 O1 -172.0(2) . . . . ?
C39 C38 C37 C42 8.6(4) . . . . ?
C4 C5 C6 N3 -2.0(5) . . . . ?
C8 N2 C12 C11 -0.6(4) . . . . ?
C8 C9 C10 C11 -0.8(5) . . . . ?
C36 N7 C32 C31 175.9(2) . . . . ?
C36 N7 C32 C33 -2.1(4) . . . . ?
C36 C35 C34 C33 -1.2(4) . . . . ?
C18 N4 C14 C13 175.1(3) . . . . ?
C18 N4 C14 C15 -1.1(5) . . . . ?
C18 C17 C16 C15 -0.4(6) . . . . ?
C45 C46 C47 Br6 -174.1(2) . . . . ?
C45 C46 C47 C48 3.9(4) . . . . ?
C45 C44 C43 O3 -171.0(2) . . . . ?
C45 C44 C43 C48 9.3(4) . . . . ?
C35 C34 C33 C32 -1.0(4) . . . . ?
C46 C45 C44 O4 177.0(3) . . . . ?
C46 C45 C44 C43 -6.6(4) . . . . ?
C46 C47 C48 Br5 177.7(2) . . . . ?
C46 C47 C48 C43 -0.9(4) . . . . ?
C25 N5 C31 C32 -164.5(2) . . . . ?
C25 N5 C19 C20 75.5(3) . . . . ?
C25 C26 C27 C28 -176.0(3) . . . . ?
C31 N5 C25 C26 70.7(3) . . . . ?
C31 N5 C19 C20 -166.3(2) . . . . ?
C31 C32 C33 C34 -175.1(3) . . . . ?
C21 C20 C19 N5 -141.2(3) . . . . ?
C21 C22 C23 C24 -2.2(5) . . . . ?
C38 C39 C40 Br3 176.0(2) . . . . ?
C38 C39 C40 C41 -2.2(4) . . . . ?
C38 C37 C42 Br1 171.91(18) . . . . ?
C38 C37 C42 C41 -5.9(4) . . . . ?
C12 N2 C8 C7 171.8(2) . . . . ?
C12 N2 C8 C9 -2.0(4) . . . . ?
C12 C11 C10 C9 -1.7(5) . . . . ?
C3 C2 C1 N1 138.3(3) . . . . ?
C3 C4 C5 C6 0.9(5) . . . . ?
C44 C45 C46 Br7 178.4(2) . . . . ?
C44 C45 C46 C47 -0.1(4) . . . . ?
C44 C43 C48 Br5 175.65(19) . . . . ?
C44 C43 C48 C47 -5.8(4) . . . . ?
C20 N6 C24 C23 0.3(4) . . . . ?
C20 C21 C22 C23 -0.6(5) . . . . ?
C27 C26 C25 N5 -155.8(2) . . . . ?
C27 C28 C29 C30 -1.3(4) . . . . ?
C7 N1 C1 C2 -75.5(3) . . . . ?
C7 N1 C13 C14 75.1(3) . . . . ?
C7 C8 C9 C10 -170.9(3) . . . . ?
C1 N1 C7 C8 86.7(3) . . . . ?
C1 N1 C13 C14 -165.3(2) . . . . ?
C1 C2 C3 C4 173.6(3) . . . . ?
C17 C16 C15 C14 0.2(6) . . . . ?
C22 C21 C20 N6 3.5(4) . . . . ?
C22 C21 C20 C19 -172.7(3) . . . . ?
C30 N8 C26 C25 176.8(2) . . . . ?
C30 N8 C26 C27 -1.0(4) . . . . ?
C14 N4 C18 C17 0.9(4) . . . . ?
C40 C39 C38 O2 178.1(2) . . . . ?
C40 C39 C38 C37 -4.8(4) . . . . ?
C40 C41 C42 Br1 -178.6(2) . . . . ?
C40 C41 C42 C37 -0.9(4) . . . . ?
C5 C4 C3 C2 0.8(5) . . . . ?
C9 C8 C7 N1 -147.4(3) . . . . ?
C13 N1 C7 C8 -155.8(2) . . . . ?
C13 N1 C1 C2 167.5(2) . . . . ?
C13 C14 C15 C16 -175.6(3) . . . . ?
C33 C32 C31 N5 -143.6(3) . . . . ?
C24 N6 C20 C21 -3.3(4) . . . . ?
C24 N6 C20 C19 173.0(2) . . . . ?
C6 N3 C2 C3 0.5(4) . . . . ?
C6 N3 C2 C1 -174.9(3) . . . . ?
C19 N5 C25 C26 -170.8(2) . . . . ?
C19 N5 C31 C32 76.1(3) . . . . ?
C42 C41 C40 Br3 -173.1(2) . . . . ?
C42 C41 C40 C39 5.0(4) . . . . ?
C10 C11 C12 N2 2.5(5) . . . . ?
C15 C14 C13 N1 -155.5(3) . . . . ?
