#------------------------------------------------------------------------------
#$Date: 2023-04-19 02:35:06 +0300 (Wed, 19 Apr 2023) $
#$Revision: 282705 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/27/7712799.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_7712799
loop_
_publ_author_name
'Katzenmayer, Markus'
'Kracht, Felix'
'Maichle-Moessmer, Caecilia'
'Anwander, Reiner'
_publ_section_title
;
 Potential precursors for terminal ytterbium(II) imide complexes bearing
 the tris(3-tert-butyl-5-methylpyrazolyl)hydroborato ligand
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT00861D
_journal_year                    2023
_chemical_formula_sum            'C36 H58 B Br N7 Yb'
_chemical_formula_weight         852.65
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-03-14 deposited with the CCDC.	2023-04-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 98.165(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.675(8)
_cell_length_b                   18.213(13)
_cell_length_c                   18.789(13)
_cell_measurement_reflns_used    9868
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.43
_cell_measurement_theta_min      2.235
_cell_volume                     3955(5)
_computing_cell_refinement       'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_data_collection       'APEX3 v2019.11-0'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX II DUO'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0580
_diffrn_reflns_av_unetI/netI     0.0225
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            202113
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.544
_diffrn_reflns_theta_min         1.565
_diffrn_source                   'ImuS-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.408
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'sadabs V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_description       block
_exptl_crystal_F_000             1732
_exptl_crystal_size_max          0.179
_exptl_crystal_size_mid          0.119
_exptl_crystal_size_min          0.105
_exptl_transmission_factor_max   0.7461
_exptl_transmission_factor_min   0.6431
_refine_diff_density_max         2.291
_refine_diff_density_min         -0.812
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     438
_refine_ls_number_reflns         12111
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0345
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0252P)²+4.2016P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0570
_refine_ls_wR_factor_ref         0.0612
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10305
_reflns_number_total             12111
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt00861d2.cif
_cod_data_source_block           9b_mo_MK240_2_0m_a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7712799
_shelx_shelxl_version_number     2018/3
_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_min   0.581
_shelx_estimated_absorpt_t_max   0.716
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
C1 C 0.83237(17) 0.64418(12) 0.61047(11) 0.0196(4) Uani 1 1 d . . . . .
C2 C 0.89331(19) 0.68781(12) 0.56793(12) 0.0232(4) Uani 1 1 d . . . . .
H2 H 0.954624 0.672688 0.543012 0.028 Uiso 1 1 calc R U . . .
C3 C 0.84700(18) 0.75724(12) 0.56916(11) 0.0212(4) Uani 1 1 d . . . . .
C4 C 0.84782(19) 0.56274(12) 0.62414(13) 0.0240(4) Uani 1 1 d . . . . .
C5 C 0.7406(2) 0.53041(16) 0.6498(2) 0.0493(8) Uani 1 1 d . . . . .
H5A H 0.672661 0.540308 0.614129 0.074 Uiso 1 1 calc R U . . .
H5B H 0.729706 0.552856 0.695816 0.074 Uiso 1 1 calc R U . . .
H5C H 0.750349 0.477253 0.656134 0.074 Uiso 1 1 calc R U . . .
C6 C 0.9531(2) 0.54958(14) 0.68128(14) 0.0325(5) Uani 1 1 d . . . . .
H6A H 0.961033 0.496892 0.691401 0.049 Uiso 1 1 calc R U . . .
H6B H 0.942732 0.575842 0.725437 0.049 Uiso 1 1 calc R U . . .
H6C H 1.022981 0.567571 0.663568 0.049 Uiso 1 1 calc R U . . .
C7 C 0.8681(3) 0.52509(16) 0.55445(15) 0.0465(8) Uani 1 1 d . . . . .
H7A H 0.801586 0.533902 0.517346 0.070 Uiso 1 1 calc R U . . .
H7B H 0.877449 0.472168 0.562722 0.070 Uiso 1 1 calc R U . . .
H7C H 0.938152 0.545019 0.538522 0.070 Uiso 1 1 calc R U . . .
C8 C 0.8771(2) 0.82411(13) 0.53009(14) 0.0293(5) Uani 1 1 d . . . . .
H8A H 0.947856 0.815048 0.508952 0.044 Uiso 1 1 calc R U . . .
H8B H 0.889667 0.865393 0.563750 0.044 Uiso 1 1 calc R U . . .
H8C H 0.813599 0.835895 0.491860 0.044 Uiso 1 1 calc R U . . .
C9 C 0.39486(18) 0.72552(12) 0.57899(11) 0.0208(4) Uani 1 1 d . . . . .
C10 C 0.37555(19) 0.78600(13) 0.53361(12) 0.0246(4) Uani 1 1 d . . . . .
H10 H 0.306920 0.796839 0.501777 0.029 Uiso 1 1 calc R U . . .
C11 C 0.47537(19) 0.82692(12) 0.54395(12) 0.0217(4) Uani 1 1 d . . . . .
C12 C 0.31017(19) 0.66404(13) 0.58666(13) 0.0253(5) Uani 1 1 d . . . . .
C13 C 0.3664(2) 0.58929(13) 0.57783(13) 0.0291(5) Uani 1 1 d . . . . .
H13A H 0.309651 0.550282 0.581397 0.044 Uiso 1 1 calc R U . . .
H13B H 0.432471 0.582842 0.615731 0.044 Uiso 1 1 calc R U . . .
H13C H 0.392968 0.586893 0.530704 0.044 Uiso 1 1 calc R U . . .
C14 C 0.2658(2) 0.67079(15) 0.65965(14) 0.0329(5) Uani 1 1 d . . . . .
H14A H 0.227635 0.718394 0.662529 0.049 Uiso 1 1 calc R U . . .
H14B H 0.331156 0.667002 0.698476 0.049 Uiso 1 1 calc R U . . .
H14C H 0.210478 0.631277 0.664455 0.049 Uiso 1 1 calc R U . . .
C15 C 0.2058(2) 0.67136(15) 0.52706(15) 0.0345(6) Uani 1 1 d . . . . .
H15A H 0.232586 0.669558 0.479957 0.052 Uiso 1 1 calc R U . . .
H15B H 0.166768 0.718259 0.532348 0.052 Uiso 1 1 calc R U . . .
H15C H 0.151686 0.630916 0.530918 0.052 Uiso 1 1 calc R U . . .
C16 C 0.5016(2) 0.89652(14) 0.50768(15) 0.0323(5) Uani 1 1 d . . . . .
H16A H 0.565886 0.888348 0.480275 0.048 Uiso 1 1 calc R U . . .
H16B H 0.523082 0.934633 0.543939 0.048 Uiso 1 1 calc R U . . .
H16C H 0.433062 0.912301 0.474999 0.048 Uiso 1 1 calc R U . . .
C17 C 0.61840(19) 0.84250(12) 0.80627(11) 0.0215(4) Uani 1 1 d . . . . .
C18 C 0.6739(2) 0.90883(12) 0.79828(12) 0.0239(4) Uani 1 1 d . . . . .
H18 H 0.684106 0.948001 0.831971 0.029 Uiso 1 1 calc R U . . .
C19 C 0.71117(19) 0.90669(12) 0.73192(12) 0.0228(4) Uani 1 1 d . . . . .
C20 C 0.5530(2) 0.81908(13) 0.86611(12) 0.0266(5) Uani 1 1 d . . . . .
C21 C 0.4996(3) 0.74340(16) 0.85168(15) 0.0399(6) Uani 1 1 d . . . . .
H21A H 0.451205 0.743195 0.804570 0.060 Uiso 1 1 calc R U . . .
H21B H 0.451921 0.731464 0.889044 0.060 Uiso 1 1 calc R U . . .
H21C H 0.561174 0.706778 0.852138 0.060 Uiso 1 1 calc R U . . .
C22 C 0.4550(3) 0.87444(19) 0.8690(2) 0.0571(10) Uani 1 1 d . . . . .
H22A H 0.404033 0.874620 0.822845 0.086 Uiso 1 1 calc R U . . .
H22B H 0.487841 0.923562 0.878684 0.086 Uiso 1 1 calc R U . . .
H22C H 0.410502 0.860568 0.907399 0.086 Uiso 1 1 calc R U . . .
C23 C 0.6333(3) 0.8181(2) 0.93693(16) 0.0581(10) Uani 1 1 d . . . . .
H23A H 0.695731 0.782766 0.934175 0.087 Uiso 1 1 calc R U . . .
H23B H 0.589691 0.803867 0.975635 0.087 Uiso 1 1 calc R U . . .
H23C H 0.666288 0.867179 0.946778 0.087 Uiso 1 1 calc R U . . .
C24 C 0.7720(2) 0.96462(13) 0.69559(14) 0.0293(5) Uani 1 1 d . . . . .
H24A H 0.844551 0.944741 0.683011 0.044 Uiso 1 1 calc R U . . .
H24B H 0.788958 1.006545 0.728067 0.044 Uiso 1 1 calc R U . . .
H24C H 0.722616 0.980646 0.651790 0.044 Uiso 1 1 calc R U . . .
C25 C 0.87254(18) 0.63389(12) 0.84206(11) 0.0201(4) Uani 1 1 d . . . . .
C26 C 0.95708(19) 0.68934(12) 0.84324(12) 0.0221(4) Uani 1 1 d . . . . .
C27 C 1.0699(2) 0.67521(13) 0.87596(13) 0.0268(5) Uani 1 1 d . . . . .
H27 H 1.126895 0.712454 0.876292 0.032 Uiso 1 1 calc R U . . .
C28 C 1.1006(2) 0.60828(14) 0.90792(14) 0.0316(5) Uani 1 1 d . . . . .
H28 H 1.177454 0.599986 0.930773 0.038 Uiso 1 1 calc R U . . .
C29 C 1.0177(2) 0.55343(13) 0.90614(13) 0.0265(5) Uani 1 1 d . . . . .
H29 H 1.038613 0.507446 0.928099 0.032 Uiso 1 1 calc R U . . .
C30 C 0.90488(19) 0.56435(12) 0.87292(12) 0.0221(4) Uani 1 1 d . . . . .
C31 C 0.9287(2) 0.76464(13) 0.81070(12) 0.0248(4) Uani 1 1 d . . . . .
H31 H 0.844372 0.765188 0.791352 0.030 Uiso 1 1 calc R U . . .
C32 C 0.9955(2) 0.77949(17) 0.74803(14) 0.0369(6) Uani 1 1 d . . . . .
H32A H 0.980875 0.739820 0.712663 0.055 Uiso 1 1 calc R U . . .
H32B H 1.078514 0.781891 0.765834 0.055 Uiso 1 1 calc R U . . .
H32C H 0.970103 0.826285 0.725336 0.055 Uiso 1 1 calc R U . . .
C33 C 0.9504(2) 0.82531(14) 0.86691(14) 0.0332(5) Uani 1 1 d . . . . .
H33A H 0.929091 0.872817 0.844349 0.050 Uiso 1 1 calc R U . . .
H33B H 1.032504 0.825842 0.887173 0.050 Uiso 1 1 calc R U . . .
H33C H 0.903507 0.816252 0.905341 0.050 Uiso 1 1 calc R U . . .
C34 C 0.8166(2) 0.50236(12) 0.86942(13) 0.0257(4) Uani 1 1 d . . . . .
H34 H 0.765755 0.506802 0.822073 0.031 Uiso 1 1 calc R U . . .
C35 C 0.7389(2) 0.51000(15) 0.92734(15) 0.0360(6) Uani 1 1 d . . . . .
H35A H 0.703565 0.558923 0.924486 0.054 Uiso 1 1 calc R U . . .
H35B H 0.784918 0.503407 0.974734 0.054 Uiso 1 1 calc R U . . .
H35C H 0.677969 0.472596 0.920178 0.054 Uiso 1 1 calc R U . . .
C36 C 0.8687(3) 0.42556(15) 0.87244(18) 0.0419(7) Uani 1 1 d . . . . .
H36A H 0.806736 0.389244 0.861423 0.063 Uiso 1 1 calc R U . . .
H36B H 0.910152 0.416386 0.920715 0.063 Uiso 1 1 calc R U . . .
H36C H 0.922596 0.421630 0.837136 0.063 Uiso 1 1 calc R U . . .
B1 B 0.6760(2) 0.81739(13) 0.62216(13) 0.0189(4) Uani 1 1 d . . . . .
H1 H 0.698(2) 0.8650(14) 0.5915(14) 0.023 Uiso 1 1 d . U . . .
Br1 Br 0.50176(2) 0.56416(2) 0.76460(2) 0.02915(5) Uani 1 1 d . . . . .
N1 N 0.76268(15) 0.75545(10) 0.61145(9) 0.0184(3) Uani 1 1 d . . . . .
N2 N 0.75321(15) 0.68498(9) 0.63761(10) 0.0183(3) Uani 1 1 d . . . . .
N3 N 0.55189(15) 0.79209(10) 0.59339(9) 0.0183(3) Uani 1 1 d . . . . .
N4 N 0.50242(15) 0.72878(10) 0.61638(9) 0.0186(3) Uani 1 1 d . . . . .
N5 N 0.68016(15) 0.84091(10) 0.70180(10) 0.0190(3) Uani 1 1 d . . . . .
N6 N 0.62295(16) 0.80031(10) 0.74795(10) 0.0199(3) Uani 1 1 d . . . . .
N7 N 0.76006(17) 0.64633(11) 0.80962(11) 0.0247(4) Uani 1 1 d . . . . .
H7 H 0.725(2) 0.6167(16) 0.8218(16) 0.030 Uiso 1 1 d . U . . .
Yb1 Yb 0.62664(2) 0.67654(2) 0.72269(2) 0.01699(3) Uani 1 1 d . . . . .
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'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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
N2 C1 C2 109.8(2) . . ?
N2 C1 C4 123.42(19) . . ?
C2 C1 C4 126.8(2) . . ?
C3 C2 C1 106.30(19) . . ?
N1 C3 C2 107.97(19) . . ?
N1 C3 C8 123.5(2) . . ?
C2 C3 C8 128.5(2) . . ?
C1 C4 C5 110.46(19) . . ?
C1 C4 C7 108.9(2) . . ?
C5 C4 C7 109.4(2) . . ?
C1 C4 C6 109.71(19) . . ?
C5 C4 C6 109.3(2) . . ?
C7 C4 C6 108.9(2) . . ?
N4 C9 C10 109.99(19) . . ?
N4 C9 C12 123.68(19) . . ?
C10 C9 C12 126.3(2) . . ?
C11 C10 C9 106.40(19) . . ?
N3 C11 C10 107.89(19) . . ?
N3 C11 C16 123.7(2) . . ?
C10 C11 C16 128.4(2) . . ?
C9 C12 C13 110.59(19) . . ?
C9 C12 C14 109.4(2) . . ?
C13 C12 C14 111.8(2) . . ?
C9 C12 C15 109.1(2) . . ?
C13 C12 C15 107.8(2) . . ?
C14 C12 C15 108.1(2) . . ?
N6 C17 C18 109.6(2) . . ?
N6 C17 C20 121.9(2) . . ?
C18 C17 C20 128.3(2) . . ?
C19 C18 C17 106.57(19) . . ?
N5 C19 C18 107.7(2) . . ?
N5 C19 C24 123.5(2) . . ?
C18 C19 C24 128.8(2) . . ?
C17 C20 C23 110.0(2) . . ?
C17 C20 C21 111.2(2) . . ?
C23 C20 C21 109.5(2) . . ?
C17 C20 C22 107.5(2) . . ?
C23 C20 C22 110.4(3) . . ?
C21 C20 C22 108.3(3) . . ?
N7 C25 C26 120.5(2) . . ?
N7 C25 C30 120.4(2) . . ?
C26 C25 C30 119.1(2) . . ?
C27 C26 C25 119.3(2) . . ?
C27 C26 C31 118.8(2) . . ?
C25 C26 C31 121.9(2) . . ?
C28 C27 C26 121.6(2) . . ?
C27 C28 C29 119.1(2) . . ?
C28 C29 C30 121.4(2) . . ?
C29 C30 C25 119.4(2) . . ?
C29 C30 C34 120.4(2) . . ?
C25 C30 C34 120.2(2) . . ?
C26 C31 C33 111.73(19) . . ?
C26 C31 C32 111.4(2) . . ?
C33 C31 C32 110.7(2) . . ?
C35 C34 C36 109.5(2) . . ?
C35 C34 C30 111.7(2) . . ?
C36 C34 C30 114.5(2) . . ?
N3 B1 N1 109.61(18) . . ?
N3 B1 N5 108.67(17) . . ?
N1 B1 N5 113.28(18) . . ?
C3 N1 N2 109.45(17) . . ?
C3 N1 B1 127.14(18) . . ?
N2 N1 B1 122.87(17) . . ?
C1 N2 N1 106.52(17) . . ?
C1 N2 Yb1 139.65(15) . . ?
N1 N2 Yb1 113.27(12) . . ?
C11 N3 N4 109.92(17) . . ?
C11 N3 B1 126.62(18) . . ?
N4 N3 B1 123.46(17) . . ?
C9 N4 N3 105.80(17) . . ?
C9 N4 Yb1 142.64(14) . . ?
N3 N4 Yb1 110.34(12) . . ?
C19 N5 N6 109.63(18) . . ?
C19 N5 B1 128.21(18) . . ?
N6 N5 B1 120.39(17) . . ?
C19 N5 Yb1 148.31(15) . . ?
N6 N5 Yb1 43.81(10) . . ?
B1 N5 Yb1 82.87(11) . . ?
C17 N6 N5 106.49(18) . . ?
C17 N6 Yb1 136.91(15) . . ?
N5 N6 Yb1 111.67(13) . . ?
C25 N7 Yb1 155.52(16) . . ?
N7 Yb1 N6 97.23(8) . . ?
N7 Yb1 N2 94.36(9) . . ?
N6 Yb1 N2 96.25(6) . . ?
N7 Yb1 N4 168.61(7) . . ?
N6 Yb1 N4 76.42(7) . . ?
N2 Yb1 N4 77.17(8) . . ?
N7 Yb1 Br1 87.00(7) . . ?
N6 Yb1 Br1 130.99(6) . . ?
N2 Yb1 Br1 132.26(5) . . ?
N4 Yb1 Br1 104.33(6) . . ?
N7 Yb1 N5 101.85(7) . . ?
N6 Yb1 N5 24.52(6) . . ?
N2 Yb1 N5 71.95(5) . . ?
N4 Yb1 N5 68.47(6) . . ?
Br1 Yb1 N5 154.06(4) . . ?
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
C1 N2 1.342(3) . ?
C1 C2 1.392(3) . ?
C1 C4 1.512(3) . ?
C2 C3 1.377(3) . ?
C3 N1 1.350(3) . ?
C3 C8 1.490(3) . ?
C4 C5 1.523(4) . ?
C4 C7 1.526(4) . ?
C4 C6 1.532(3) . ?
C9 N4 1.350(3) . ?
C9 C10 1.392(3) . ?
C9 C12 1.514(3) . ?
C10 C11 1.374(3) . ?
C11 N3 1.352(3) . ?
C11 C16 1.491(3) . ?
C12 C13 1.530(4) . ?
C12 C14 1.538(4) . ?
C12 C15 1.539(3) . ?
C17 N6 1.345(3) . ?
C17 C18 1.389(3) . ?
C17 C20 1.508(3) . ?
C18 C19 1.378(3) . ?
C19 N5 1.352(3) . ?
C19 C24 1.491(3) . ?
C20 C23 1.515(4) . ?
C20 C21 1.521(4) . ?
C20 C22 1.531(4) . ?
C25 N7 1.386(3) . ?
C25 C26 1.410(3) . ?
C25 C30 1.422(3) . ?
C26 C27 1.396(3) . ?
C26 C31 1.519(3) . ?
C27 C28 1.383(4) . ?
C28 C29 1.388(3) . ?
C29 C30 1.390(3) . ?
C30 C34 1.524(3) . ?
C31 C33 1.525(3) . ?
C31 C32 1.526(4) . ?
C34 C35 1.519(4) . ?
C34 C36 1.523(4) . ?
B1 N3 1.543(3) . ?
B1 N1 1.548(3) . ?
B1 N5 1.550(3) . ?
Br1 Yb1 2.6947(13) . ?
N1 N2 1.384(3) . ?
N2 Yb1 2.331(2) . ?
N3 N4 1.386(2) . ?
N4 Yb1 2.485(2) . ?
N5 N6 1.382(3) . ?
N5 Yb1 3.095(3) . ?
N6 Yb1 2.305(2) . ?
N7 Yb1 2.162(2) . ?
