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

data_arp1_a
_database_code_depnum_ccdc_archive 'CCDC 2044800'
loop_
_audit_author_name
_audit_author_address
'Arpan Mondal'
;IISER Bhopal
India
;
_audit_update_record             
;
2020-11-17 deposited with the CCDC.	2021-08-31 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/1
_shelx_SHELXL_version_number     2018/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C37 H42 N11 O13 Yb2'
_chemical_formula_weight         1194.89

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'
Yb Yb -0.3850 5.5486 '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'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.3127(6)
_cell_length_b                   10.4419(7)
_cell_length_c                   20.5492(13)
_cell_angle_alpha                78.734(3)
_cell_angle_beta                 80.248(3)
_cell_angle_gamma                83.810(3)
_cell_volume                     2132.4(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    140(2)
_cell_measurement_reflns_used    9993
_cell_measurement_theta_min      2.59
_cell_measurement_theta_max      25.82

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_F_000             1170
_exptl_transmission_factor_min   0.060
_exptl_transmission_factor_max   0.114
_exptl_crystal_size_max          0.73
_exptl_crystal_size_mid          0.57
_exptl_crystal_size_min          0.49
_exptl_absorpt_coefficient_mu    4.435
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scans
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      140(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            28908
_diffrn_reflns_av_unetI/netI     0.0333
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.022
_diffrn_reflns_theta_max         25.860
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.984
_diffrn_reflns_point_group_measured_fraction_full 0.995
_reflns_number_total             8124
_reflns_number_gt                7261
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0001P)²+10.1416P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8124
_refine_ls_number_parameters     576
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0299
_refine_ls_R_factor_gt           0.0249
_refine_ls_wR_factor_ref         0.0593
_refine_ls_wR_factor_gt          0.0470
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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
Yb2 Yb 0.53987(2) 0.35305(2) 0.56650(2) 0.00979(5) Uani 1 1 d . . . . .
Yb1 Yb 0.09760(2) 0.56528(2) 1.05641(2) 0.01369(6) Uani 1 1 d . . . . .
O8 O 0.3340(3) 0.4206(3) 0.61615(15) 0.0163(7) Uani 1 1 d . . . . .
O7 O 0.5503(3) 0.1880(3) 0.64437(15) 0.0145(7) Uani 1 1 d . . . . .
O3 O 0.1023(3) 0.4852(3) 0.96067(14) 0.0159(7) Uani 1 1 d . . . . .
O9 O 0.4504(3) 0.4272(3) 0.47200(14) 0.0135(7) Uani 1 1 d . . . . .
O1 O 0.2125(3) 0.6673(3) 1.10330(15) 0.0182(7) Uani 1 1 d . . . . .
O2 O 0.0483(3) 0.7594(3) 0.98780(15) 0.0201(7) Uani 1 1 d . . . . .
O10 O 0.7748(3) 0.3627(3) 0.53984(17) 0.0232(8) Uani 1 1 d . . . . .
N4 N 0.1594(4) 0.3173(4) 1.1364(2) 0.0230(10) Uani 1 1 d . . . . .
O11 O 0.6928(3) 0.2396(4) 0.48714(17) 0.0252(8) Uani 1 1 d . . . . .
O12 O 0.9059(3) 0.2491(3) 0.47277(17) 0.0262(8) Uani 1 1 d . . . . .
N7 N 0.3758(4) 0.2257(4) 0.47064(18) 0.0139(8) Uani 1 1 d . . . . .
O4 O 0.0618(4) 0.3936(3) 1.15545(17) 0.0301(9) Uani 1 1 d . . . . .
N8 N 0.3831(4) 0.5297(4) 0.35449(17) 0.0131(8) Uani 1 1 d . . . . .
N6 N 0.4203(3) 0.1928(3) 0.53425(16) 0.0093(8) Uani 1 1 d . . . . .
N2 N 0.3249(4) 0.5144(4) 0.92594(18) 0.0171(9) Uani 1 1 d . . . . .
O5 O 0.2236(4) 0.3579(4) 1.07969(18) 0.0365(10) Uani 1 1 d . . . . .
N10 N 0.7953(4) 0.2827(4) 0.4986(2) 0.0213(9) Uani 1 1 d . . . . .
O6 O 0.1893(4) 0.2127(3) 1.17070(18) 0.0331(9) Uani 1 1 d . . . . .
N11 N 0.9369(4) 0.0551(4) 0.6307(2) 0.0270(10) Uani 1 1 d . . . . .
N1 N 0.3059(4) 0.5820(4) 0.98073(18) 0.0149(8) Uani 1 1 d . . . . .
N5 N 0.0463(4) 0.8971(4) 0.8877(2) 0.0267(10) Uani 1 1 d . . . . .
C8 C 0.4079(5) 0.6401(4) 0.9836(2) 0.0146(10) Uani 1 1 d . . . . .
H8 H 0.481575 0.630348 0.951400 0.017 Uiso 1 1 calc R U . . .
C30 C 0.3066(5) 0.3285(5) 0.3405(2) 0.0179(10) Uani 1 1 d . . . . .
H30 H 0.293467 0.240710 0.357128 0.022 Uiso 1 1 calc R U . . .
N3 N 0.0920(4) 0.3597(4) 0.86391(17) 0.0124(8) Uani 1 1 d . . . . .
C28 C 0.3971(4) 0.3458(4) 0.4438(2) 0.0108(9) Uani 1 1 d . . . . .
N9 N 0.1124(4) 0.4707(4) 0.62322(19) 0.0163(8) Uani 1 1 d . . . . .
O13 O 0.9345(4) 0.1744(4) 0.7118(2) 0.0392(10) Uani 1 1 d . . . . .
C29 C 0.3599(4) 0.4018(4) 0.3767(2) 0.0137(10) Uani 1 1 d . . . . .
C12 C 0.2156(5) 0.4679(4) 0.9212(2) 0.0163(10) Uani 1 1 d . . . . .
C31 C 0.2729(5) 0.3884(5) 0.2788(2) 0.0225(11) Uani 1 1 d . . . . .
H31 H 0.235730 0.341216 0.253630 0.027 Uiso 1 1 calc R U . . .
C1 C 0.3201(5) 0.7333(5) 1.0888(2) 0.0159(10) Uani 1 1 d . . . . .
C32 C 0.2947(5) 0.5182(5) 0.2548(2) 0.0181(10) Uani 1 1 d . . . . .
H32 H 0.272884 0.560230 0.213434 0.022 Uiso 1 1 calc R U . . .
C24 C 0.4016(4) 0.0730(4) 0.5626(2) 0.0118(9) Uani 1 1 d . . . . .
H24 H 0.364354 0.022408 0.539090 0.014 Uiso 1 1 calc R U . . .
C13 C 0.2127(4) 0.3936(4) 0.8676(2) 0.0144(10) Uani 1 1 d . . . . .
C27 C -0.0102(5) 0.4559(6) 0.6001(3) 0.0297(13) Uani 1 1 d . . . . .
H27A H 0.007103 0.398802 0.567678 0.045 Uiso 1 1 calc R U . . .
H27B H -0.046020 0.539978 0.579757 0.045 Uiso 1 1 calc R U . . .
H27C H -0.072314 0.418979 0.637519 0.045 Uiso 1 1 calc R U . . .
C23 C 0.4339(4) 0.0114(4) 0.6278(2) 0.0138(10) Uani 1 1 d . . . . .
C7 C 0.4182(4) 0.7202(5) 1.0332(2) 0.0166(10) Uani 1 1 d . . . . .
C6 C 0.5319(4) 0.7888(5) 1.0220(2) 0.0183(10) Uani 1 1 d . . . . .
H6 H 0.596829 0.777026 0.985811 0.022 Uiso 1 1 calc R U . . .
C33 C 0.3501(4) 0.5842(5) 0.2943(2) 0.0153(10) Uani 1 1 d . . . . .
H33 H 0.365373 0.671710 0.277966 0.018 Uiso 1 1 calc R U . . .
C9 C 0.0879(5) 0.7904(5) 0.9262(2) 0.0221(11) Uani 1 1 d . . . . .
C14 C 0.3257(5) 0.3606(4) 0.8248(2) 0.0167(10) Uani 1 1 d . . . . .
H14 H 0.407925 0.384000 0.829124 0.020 Uiso 1 1 calc R U . . .
C17 C 0.0816(5) 0.2945(5) 0.8144(2) 0.0214(11) Uani 1 1 d . . . . .
H17 H -0.001334 0.272814 0.810201 0.026 Uiso 1 1 calc R U . . .
C2 C 0.3382(5) 0.8195(5) 1.1295(2) 0.0210(11) Uani 1 1 d . . . . .
H2 H 0.274479 0.830328 1.166270 0.025 Uiso 1 1 calc R U . . .
C22 C 0.3906(4) -0.1147(4) 0.6542(2) 0.0155(10) Uani 1 1 d . . . . .
H22 H 0.345662 -0.153623 0.628593 0.019 Uiso 1 1 calc R U . . .
C25 C 0.2247(5) 0.4128(5) 0.5997(2) 0.0173(10) Uani 1 1 d . . . . .
H25 H 0.222663 0.361122 0.567830 0.021 Uiso 1 1 calc R U . . .
C18 C 0.5056(4) 0.0702(4) 0.6654(2) 0.0103(9) Uani 1 1 d . . . . .
C21 C 0.4125(5) -0.1827(5) 0.7170(2) 0.0206(11) Uani 1 1 d . . . . .
C19 C 0.5303(5) -0.0022(4) 0.7277(2) 0.0161(10) Uani 1 1 d . . . . .
H19 H 0.578928 0.033630 0.752971 0.019 Uiso 1 1 calc R U . . .
C15 C 0.3118(5) 0.2911(5) 0.7750(2) 0.0196(11) Uani 1 1 d . . . . .
H15 H 0.385212 0.266901 0.745577 0.024 Uiso 1 1 calc R U . . .
C4 C 0.5504(5) 0.8731(5) 1.0630(2) 0.0206(11) Uani 1 1 d . . . . .
C5 C 0.6746(5) 0.9448(6) 1.0518(3) 0.0316(13) Uani 1 1 d . . . . .
H5A H 0.750445 0.882969 1.049041 0.047 Uiso 1 1 calc R U . . .
H5B H 0.674094 0.989350 1.088479 0.047 Uiso 1 1 calc R U . . .
H5C H 0.678003 1.007351 1.010642 0.047 Uiso 1 1 calc R U . . .
C26 C 0.1049(6) 0.5551(5) 0.6727(3) 0.0304(13) Uani 1 1 d . . . . .
H26A H 0.084445 0.644317 0.652403 0.046 Uiso 1 1 calc R U . . .
H26B H 0.188161 0.547851 0.688642 0.046 Uiso 1 1 calc R U . . .
H26C H 0.037135 0.528800 0.709726 0.046 Uiso 1 1 calc R U . . .
C3 C 0.4495(5) 0.8900(5) 1.1164(2) 0.0243(12) Uani 1 1 d . . . . .
H3 H 0.457302 0.949425 1.143625 0.029 Uiso 1 1 calc R U . . .
C35 C 0.8631(5) -0.0129(6) 0.5945(3) 0.0334(14) Uani 1 1 d . . . . .
H35A H 0.889096 -0.104962 0.602929 0.050 Uiso 1 1 calc R U . . .
H35B H 0.881702 0.020686 0.547252 0.050 Uiso 1 1 calc R U . . .
H35C H 0.770332 0.001171 0.609728 0.050 Uiso 1 1 calc R U . . .
C20 C 0.4854(5) -0.1243(5) 0.7529(2) 0.0192(11) Uani 1 1 d . . . . .
H20 H 0.504050 -0.168556 0.794521 0.023 Uiso 1 1 calc R U . . .
C37 C 0.3653(5) -0.3176(4) 0.7440(2) 0.0200(11) Uani 1 1 d . . . . .
H37A H 0.270942 -0.310929 0.755528 0.030 Uiso 1 1 calc R U . . .
H37B H 0.404332 -0.356080 0.783174 0.030 Uiso 1 1 calc R U . . .
H37C H 0.390595 -0.371426 0.710319 0.030 Uiso 1 1 calc R U . . .
C11 C 0.0955(6) 0.9244(6) 0.8160(3) 0.0372(14) Uani 1 1 d . . . . .
H11A H 0.156534 0.991236 0.806910 0.056 Uiso 1 1 calc R U . . .
H11B H 0.023032 0.953841 0.791601 0.056 Uiso 1 1 calc R U . . .
H11C H 0.139531 0.846105 0.802170 0.056 Uiso 1 1 calc R U . . .
C16 C 0.1886(5) 0.2590(5) 0.7700(2) 0.0194(11) Uani 1 1 d . . . . .
H16 H 0.177626 0.213688 0.736812 0.023 Uiso 1 1 calc R U . . .
C34 C 0.8788(5) 0.1185(5) 0.6790(3) 0.0297(13) Uani 1 1 d . . . . .
H34 H 0.787291 0.120568 0.688725 0.036 Uiso 1 1 calc R U . . .
C10 C -0.0511(8) 0.9906(7) 0.9144(4) 0.082(3) Uani 1 1 d . . . . .
H10A H -0.126887 0.999941 0.891978 0.123 Uiso 1 1 calc R U . . .
H10B H -0.014361 1.073760 0.907527 0.123 Uiso 1 1 calc R U . . .
H10C H -0.076889 0.960528 0.961625 0.123 Uiso 1 1 calc R U . . .
C36 C 1.0782(6) 0.0522(8) 0.6087(4) 0.062(2) Uani 1 1 d . . . . .
H36A H 1.112956 -0.036448 0.607194 0.093 Uiso 1 1 calc R U . . .
H36B H 1.119344 0.086379 0.639551 0.093 Uiso 1 1 calc R U . . .
H36C H 1.096026 0.104710 0.564748 0.093 Uiso 1 1 calc R U . . .


_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
Yb2 O7 2.117(3) . ?
Yb2 O9 2.255(3) . ?
Yb2 O9 2.283(3) 2_666 ?
Yb2 O8 2.296(3) . ?
Yb2 O10 2.401(3) . ?
Yb2 N6 2.432(4) . ?
Yb2 O11 2.456(3) . ?
Yb2 N8 2.488(4) 2_666 ?
Yb2 N10 2.857(4) . ?
Yb2 C28 3.143(4) . ?
Yb2 Yb2 3.8083(4) 2_666 ?
Yb1 O1 2.127(3) . ?
Yb1 O3 2.275(3) . ?
Yb1 O3 2.281(3) 2_567 ?
Yb1 O2 2.293(3) . ?
Yb1 O5 2.410(4) . ?
Yb1 N1 2.431(4) . ?
Yb1 O4 2.440(3) . ?
Yb1 N3 2.491(3) 2_567 ?
Yb1 N4 2.854(4) . ?
Yb1 C12 3.151(4) . ?
Yb1 C9 3.206(5) . ?
Yb1 Yb1 3.8333(4) 2_567 ?
O8 C25 1.245(5) . ?
O7 C18 1.327(5) . ?
O3 C12 1.322(5) . ?
O9 C28 1.327(5) . ?
O1 C1 1.330(5) . ?
O2 C9 1.252(5) . ?
O10 N10 1.280(5) . ?
N4 O6 1.219(5) . ?
N4 O5 1.258(5) . ?
N4 O4 1.272(5) . ?
O11 N10 1.267(5) . ?
O12 N10 1.220(5) . ?
N7 C28 1.293(5) . ?
N7 N6 1.425(5) . ?
N8 C33 1.341(5) . ?
N8 C29 1.357(6) . ?
N6 C24 1.292(5) . ?
N2 C12 1.300(6) . ?
N2 N1 1.418(5) . ?
N11 C34 1.324(7) . ?
N11 C36 1.450(7) . ?
N11 C35 1.465(7) . ?
N1 C8 1.285(6) . ?
N5 C9 1.311(6) . ?
N5 C10 1.441(7) . ?
N5 C11 1.457(6) . ?
C8 C7 1.462(6) . ?
C8 H8 0.9300 . ?
C30 C29 1.377(6) . ?
C30 C31 1.382(6) . ?
C30 H30 0.9300 . ?
N3 C13 1.348(6) . ?
N3 C17 1.355(6) . ?
C28 C29 1.485(6) . ?
N9 C25 1.310(6) . ?
N9 C27 1.457(6) . ?
N9 C26 1.458(6) . ?
O13 C34 1.218(6) . ?
C12 C13 1.470(6) . ?
C31 C32 1.378(7) . ?
C31 H31 0.9300 . ?
C1 C2 1.389(7) . ?
C1 C7 1.410(6) . ?
C32 C33 1.385(6) . ?
C32 H32 0.9300 . ?
C24 C23 1.446(6) . ?
C24 H24 0.9300 . ?
C13 C14 1.392(6) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C23 C22 1.411(6) . ?
C23 C18 1.413(6) . ?
C7 C6 1.402(6) . ?
C6 C4 1.380(7) . ?
C6 H6 0.9300 . ?
C33 H33 0.9300 . ?
C14 C15 1.399(7) . ?
C14 H14 0.9300 . ?
C17 C16 1.374(6) . ?
C17 H17 0.9300 . ?
C2 C3 1.390(7) . ?
C2 H2 0.9300 . ?
C22 C21 1.388(6) . ?
C22 H22 0.9300 . ?
C25 H25 0.9300 . ?
C18 C19 1.402(6) . ?
C21 C20 1.394(7) . ?
C21 C37 1.509(6) . ?
C19 C20 1.377(6) . ?
C19 H19 0.9300 . ?
C15 C16 1.374(7) . ?
C15 H15 0.9300 . ?
C4 C3 1.403(7) . ?
C4 C5 1.514(7) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C3 H3 0.9300 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C20 H20 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C16 H16 0.9300 . ?
C34 H34 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O7 Yb2 O9 141.76(11) . . ?
O7 Yb2 O9 150.42(11) . 2_666 ?
O9 Yb2 O9 65.92(12) . 2_666 ?
O7 Yb2 O8 91.06(11) . . ?
O9 Yb2 O8 82.20(11) . . ?
O9 Yb2 O8 81.98(11) 2_666 . ?
O7 Yb2 O10 94.23(12) . . ?
O9 Yb2 O10 108.68(11) . . ?
O9 Yb2 O10 80.40(11) 2_666 . ?
O8 Yb2 O10 152.99(11) . . ?
O7 Yb2 N6 75.91(11) . . ?
O9 Yb2 N6 65.95(11) . . ?
O9 Yb2 N6 131.05(11) 2_666 . ?
O8 Yb2 N6 83.31(11) . . ?
O10 Yb2 N6 123.66(11) . . ?
O7 Yb2 O11 91.41(12) . . ?
O9 Yb2 O11 79.79(11) . . ?
O9 Yb2 O11 107.43(11) 2_666 . ?
O8 Yb2 O11 153.79(11) . . ?
O10 Yb2 O11 52.60(11) . . ?
N6 Yb2 O11 72.04(11) . . ?
O7 Yb2 N8 84.32(12) . 2_666 ?
O9 Yb2 N8 131.61(11) . 2_666 ?
O9 Yb2 N8 66.40(11) 2_666 2_666 ?
O8 Yb2 N8 83.62(11) . 2_666 ?
O10 Yb2 N8 70.62(11) . 2_666 ?
N6 Yb2 N8 156.02(11) . 2_666 ?
O11 Yb2 N8 122.58(12) . 2_666 ?
O7 Yb2 N10 92.40(11) . . ?
O9 Yb2 N10 95.13(11) . . ?
O9 Yb2 N10 94.93(11) 2_666 . ?
O8 Yb2 N10 176.54(11) . . ?
O10 Yb2 N10 26.40(11) . . ?
N6 Yb2 N10 97.65(12) . . ?
O11 Yb2 N10 26.21(11) . . ?
N8 Yb2 N10 96.60(12) 2_666 . ?
O7 Yb2 C28 120.81(11) . . ?
O9 Yb2 C28 21.34(11) . . ?
O9 Yb2 C28 87.26(11) 2_666 . ?
O8 Yb2 C28 84.47(11) . . ?
O10 Yb2 C28 114.83(11) . . ?
N6 Yb2 C28 44.92(11) . . ?
O11 Yb2 C28 71.93(11) . . ?
N8 Yb2 C28 152.33(11) 2_666 . ?
N10 Yb2 C28 93.85(11) . . ?
O7 Yb2 Yb2 170.62(8) . 2_666 ?
O9 Yb2 Yb2 33.19(7) . 2_666 ?
O9 Yb2 Yb2 32.73(7) 2_666 2_666 ?
O8 Yb2 Yb2 80.56(8) . 2_666 ?
O10 Yb2 Yb2 95.15(9) . 2_666 ?
N6 Yb2 Yb2 98.77(8) . 2_666 ?
O11 Yb2 Yb2 94.28(8) . 2_666 ?
N8 Yb2 Yb2 98.81(8) 2_666 2_666 ?
N10 Yb2 Yb2 96.00(7) . 2_666 ?
C28 Yb2 Yb2 54.53(8) . 2_666 ?
O1 Yb1 O3 141.44(11) . . ?
O1 Yb1 O3 150.55(11) . 2_567 ?
O3 Yb1 O3 65.40(12) . 2_567 ?
O1 Yb1 O2 88.57(12) . . ?
O3 Yb1 O2 82.07(11) . . ?
O3 Yb1 O2 83.64(12) 2_567 . ?
O1 Yb1 O5 94.84(13) . . ?
O3 Yb1 O5 78.12(12) . . ?
O3 Yb1 O5 105.22(13) 2_567 . ?
O2 Yb1 O5 152.18(11) . . ?
O1 Yb1 N1 76.01(12) . . ?
O3 Yb1 N1 65.62(12) . . ?
O3 Yb1 N1 130.12(11) 2_567 . ?
O2 Yb1 N1 80.99(12) . . ?
O5 Yb1 N1 73.14(12) . . ?
O1 Yb1 O4 92.46(12) . . ?
O3 Yb1 O4 111.15(12) . . ?
O3 Yb1 O4 83.43(12) 2_567 . ?
O2 Yb1 O4 155.33(11) . . ?
O5 Yb1 O4 52.25(12) . . ?
N1 Yb1 O4 123.14(12) . . ?
O1 Yb1 N3 84.93(12) . 2_567 ?
O3 Yb1 N3 130.69(11) . 2_567 ?
O3 Yb1 N3 66.10(11) 2_567 2_567 ?
O2 Yb1 N3 84.36(11) . 2_567 ?
O5 Yb1 N3 123.42(12) . 2_567 ?
N1 Yb1 N3 156.14(12) . 2_567 ?
O4 Yb1 N3 71.20(12) . 2_567 ?
O1 Yb1 N4 93.67(12) . . ?
O3 Yb1 N4 95.13(11) . . ?
O3 Yb1 N4 95.19(12) 2_567 . ?
O2 Yb1 N4 177.20(11) . . ?
O5 Yb1 N4 25.93(11) . . ?
N1 Yb1 N4 97.91(12) . . ?
O4 Yb1 N4 26.33(11) . . ?
N3 Yb1 N4 97.50(12) 2_567 . ?
O1 Yb1 C12 120.86(12) . . ?
O3 Yb1 C12 21.30(12) . . ?
O3 Yb1 C12 86.69(12) 2_567 . ?
O2 Yb1 C12 84.52(11) . . ?
O5 Yb1 C12 70.03(11) . . ?
N1 Yb1 C12 44.88(13) . . ?
O4 Yb1 C12 115.55(12) . . ?
N3 Yb1 C12 151.55(12) 2_567 . ?
N4 Yb1 C12 92.88(11) . . ?
O1 Yb1 C9 94.82(12) . . ?
O3 Yb1 C9 66.89(12) . . ?
O3 Yb1 C9 86.51(12) 2_567 . ?
O2 Yb1 C9 18.19(11) . . ?
O5 Yb1 C9 134.27(12) . . ?
N1 Yb1 C9 66.18(12) . . ?
O4 Yb1 C9 169.50(13) . . ?
N3 Yb1 C9 101.91(12) 2_567 . ?
N4 Yb1 C9 159.41(12) . . ?
C12 Yb1 C9 66.69(12) . . ?
O1 Yb1 Yb1 169.13(8) . 2_567 ?
O3 Yb1 Yb1 32.75(8) . 2_567 ?
O3 Yb1 Yb1 32.65(7) 2_567 2_567 ?
O2 Yb1 Yb1 81.50(8) . 2_567 ?
O5 Yb1 Yb1 91.96(10) . 2_567 ?
N1 Yb1 Yb1 97.96(9) . 2_567 ?
O4 Yb1 Yb1 98.40(9) . 2_567 ?
N3 Yb1 Yb1 98.38(8) 2_567 2_567 ?
N4 Yb1 Yb1 96.14(8) . 2_567 ?
C12 Yb1 Yb1 54.04(9) . 2_567 ?
C9 Yb1 Yb1 74.39(9) . 2_567 ?
C25 O8 Yb2 128.7(3) . . ?
C18 O7 Yb2 141.1(3) . . ?
C12 O3 Yb1 120.0(3) . . ?
C12 O3 Yb1 125.3(3) . 2_567 ?
Yb1 O3 Yb1 114.60(12) . 2_567 ?
C28 O9 Yb2 120.4(3) . . ?
C28 O9 Yb2 125.5(3) . 2_666 ?
Yb2 O9 Yb2 114.08(12) . 2_666 ?
C1 O1 Yb1 140.0(3) . . ?
C9 O2 Yb1 127.0(3) . . ?
N10 O10 Yb2 97.1(2) . . ?
O6 N4 O5 122.3(4) . . ?
O6 N4 O4 122.5(4) . . ?
O5 N4 O4 115.2(4) . . ?
O6 N4 Yb1 178.1(3) . . ?
O5 N4 Yb1 56.9(2) . . ?
O4 N4 Yb1 58.3(2) . . ?
N10 O11 Yb2 94.9(3) . . ?
C28 N7 N6 110.1(4) . . ?
N4 O4 Yb1 95.3(3) . . ?
C33 N8 C29 116.6(4) . . ?
C33 N8 Yb2 125.8(3) . 2_666 ?
C29 N8 Yb2 117.3(3) . 2_666 ?
C24 N6 N7 112.1(4) . . ?
C24 N6 Yb2 130.0(3) . . ?
N7 N6 Yb2 117.5(2) . . ?
C12 N2 N1 110.3(4) . . ?
N4 O5 Yb1 97.2(3) . . ?
O12 N10 O11 122.3(4) . . ?
O12 N10 O10 122.3(4) . . ?
O11 N10 O10 115.3(4) . . ?
O12 N10 Yb2 176.6(3) . . ?
O11 N10 Yb2 58.9(2) . . ?
O10 N10 Yb2 56.5(2) . . ?
C34 N11 C36 121.7(5) . . ?
C34 N11 C35 122.6(4) . . ?
C36 N11 C35 115.6(5) . . ?
C8 N1 N2 112.5(4) . . ?
C8 N1 Yb1 129.7(3) . . ?
N2 N1 Yb1 117.7(3) . . ?
C9 N5 C10 121.3(5) . . ?
C9 N5 C11 121.1(4) . . ?
C10 N5 C11 117.6(4) . . ?
N1 C8 C7 125.6(4) . . ?
N1 C8 H8 117.2 . . ?
C7 C8 H8 117.2 . . ?
C29 C30 C31 118.6(4) . . ?
C29 C30 H30 120.7 . . ?
C31 C30 H30 120.7 . . ?
C13 N3 C17 117.5(4) . . ?
C13 N3 Yb1 117.6(3) . 2_567 ?
C17 N3 Yb1 124.8(3) . 2_567 ?
N7 C28 O9 125.0(4) . . ?
N7 C28 C29 119.8(4) . . ?
O9 C28 C29 115.2(4) . . ?
N7 C28 Yb2 87.1(3) . . ?
O9 C28 Yb2 38.21(18) . . ?
C29 C28 Yb2 152.6(3) . . ?
C25 N9 C27 121.5(4) . . ?
C25 N9 C26 121.5(4) . . ?
C27 N9 C26 117.1(4) . . ?
N8 C29 C30 123.2(4) . . ?
N8 C29 C28 114.7(4) . . ?
C30 C29 C28 122.1(4) . . ?
N2 C12 O3 124.5(4) . . ?
N2 C12 C13 119.6(4) . . ?
O3 C12 C13 115.9(4) . . ?
N2 C12 Yb1 86.5(3) . . ?
O3 C12 Yb1 38.7(2) . . ?
C13 C12 Yb1 153.3(3) . . ?
C32 C31 C30 119.7(5) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
O1 C1 C2 119.4(4) . . ?
O1 C1 C7 122.8(4) . . ?
C2 C1 C7 117.7(4) . . ?
C31 C32 C33 118.0(4) . . ?
C31 C32 H32 121.0 . . ?
C33 C32 H32 121.0 . . ?
N6 C24 C23 125.2(4) . . ?
N6 C24 H24 117.4 . . ?
C23 C24 H24 117.4 . . ?
N3 C13 C14 123.0(4) . . ?
N3 C13 C12 114.5(4) . . ?
C14 C13 C12 122.5(4) . . ?
N9 C27 H27A 109.5 . . ?
N9 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N9 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C22 C23 C18 119.4(4) . . ?
C22 C23 C24 117.0(4) . . ?
C18 C23 C24 123.7(4) . . ?
C6 C7 C1 120.1(4) . . ?
C6 C7 C8 116.2(4) . . ?
C1 C7 C8 123.6(4) . . ?
C4 C6 C7 122.0(4) . . ?
C4 C6 H6 119.0 . . ?
C7 C6 H6 119.0 . . ?
N8 C33 C32 124.0(4) . . ?
N8 C33 H33 118.0 . . ?
C32 C33 H33 118.0 . . ?
O2 C9 N5 124.6(5) . . ?
O2 C9 Yb1 34.9(2) . . ?
N5 C9 Yb1 158.9(4) . . ?
C13 C14 C15 117.9(4) . . ?
C13 C14 H14 121.0 . . ?
C15 C14 H14 121.0 . . ?
N3 C17 C16 122.8(5) . . ?
N3 C17 H17 118.6 . . ?
C16 C17 H17 118.6 . . ?
C1 C2 C3 121.4(5) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C21 C22 C23 122.5(4) . . ?
C21 C22 H22 118.7 . . ?
C23 C22 H22 118.7 . . ?
O8 C25 N9 125.8(4) . . ?
O8 C25 H25 117.1 . . ?
N9 C25 H25 117.1 . . ?
O7 C18 C19 119.5(4) . . ?
O7 C18 C23 123.4(4) . . ?
C19 C18 C23 117.1(4) . . ?
C22 C21 C20 117.3(4) . . ?
C22 C21 C37 121.4(4) . . ?
C20 C21 C37 121.2(4) . . ?
C20 C19 C18 122.5(4) . . ?
C20 C19 H19 118.8 . . ?
C18 C19 H19 118.8 . . ?
C16 C15 C14 119.3(4) . . ?
C16 C15 H15 120.4 . . ?
C14 C15 H15 120.4 . . ?
C6 C4 C3 117.5(5) . . ?
C6 C4 C5 121.9(4) . . ?
C3 C4 C5 120.6(5) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N9 C26 H26A 109.5 . . ?
N9 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N9 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C2 C3 C4 121.2(5) . . ?
C2 C3 H3 119.4 . . ?
C4 C3 H3 119.4 . . ?
N11 C35 H35A 109.5 . . ?
N11 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
N11 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C19 C20 C21 121.1(4) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C21 C37 H37A 109.5 . . ?
C21 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C21 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N5 C11 H11A 109.5 . . ?
N5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C15 C16 C17 119.5(5) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 H16 120.3 . . ?
O13 C34 N11 125.8(5) . . ?
O13 C34 H34 117.1 . . ?
N11 C34 H34 117.1 . . ?
N5 C10 H10A 109.5 . . ?
N5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N11 C36 H36A 109.5 . . ?
N11 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N11 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?

_refine_diff_density_max         0.814
_refine_diff_density_min         -1.035
_refine_diff_density_rms         0.153



