#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302956.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_4302956
loop_
_publ_author_name
'Nail M. Shavaleev'
'Rosario Scopelliti'
'Frédéric Gumy'
'Jean-Claude G. Bünzli'
_publ_contact_author_address
;Ecole polytechnique fédérale de Lausanne
Institut des sciences et ingénierie chimiques
EPFL SB ISIC LCSL
BCH 1402 (Bât. BCH)
CH-1015 Lausanne
Switzerland
;
_publ_contact_author_email       jean-claude.bunzli@epfl.ch
_publ_contact_author_fax         '+41 21 693 98 25'
_publ_contact_author_name        'Jean-Claude Bünzli'
_publ_contact_author_phone       '+41 21 693 98 21'
_publ_section_title
;
Surprisingly Bright Near-Infrared Luminescence and Short Radiative
Lifetimes of Ytterbium in Hetero-Binuclear Yb-Na Chelates
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7937
_journal_page_last               7946
_journal_paper_doi               10.1021/ic900888m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C68 H44 N8 Na O8 Yb'
_chemical_formula_sum            'C68 H44 N8 Na O8 Yb'
_chemical_formula_weight         1297.14
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.425(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.621(4)
_cell_length_b                   12.220(2)
_cell_length_c                   24.913(4)
_cell_measurement_reflns_used    92
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.286
_cell_measurement_theta_min      3.495
_cell_volume                     6451.8(19)
_computing_cell_refinement       'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs, 1990-2000)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0693
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11309
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    1.515
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2.10, G.M. Sheldrick, 2003'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2612
_exptl_crystal_size_max          0.53
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_platon_squeeze_details
;
;
_refine_diff_density_max         0.983
_refine_diff_density_min         -1.202
_refine_diff_density_rms         0.153
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         11309
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0867
_refine_ls_R_factor_gt           0.0604
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0161P)²+2.4972P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1183
_refine_ls_wR_factor_ref         0.1262
_reflns_number_gt                8492
_reflns_number_total             11309
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900888m_si_002_4.cif
_cod_data_source_block           Na[Yb(LMe*)4]
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6451.6(19)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4302956
loop_
_symmetry_equiv_pos_as_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'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.333174(15) 0.23275(2) 0.504760(13) 0.01292(9) Uani 1 1 d . . .
Na1 Na 0.17980(12) 0.2212(2) 0.53596(11) 0.0171(6) Uani 1 1 d . . .
O1 O 0.4269(2) 0.2695(4) 0.5594(2) 0.0205(11) Uani 1 1 d . . .
O2 O 0.2951(2) -0.1263(4) 0.44690(19) 0.0148(11) Uani 1 1 d . . .
O3 O 0.3733(2) 0.2380(4) 0.42675(19) 0.0203(11) Uani 1 1 d . . .
O4 O 0.2680(2) 0.5604(4) 0.5692(2) 0.0167(11) Uani 1 1 d . . .
O5 O 0.2887(2) 0.1512(4) 0.5694(2) 0.0152(11) Uani 1 1 d . . .
O6 O 0.0353(2) -0.0321(4) 0.4501(2) 0.0184(11) Uani 1 1 d . . .
O7 O 0.2337(2) 0.2796(4) 0.46391(19) 0.0161(10) Uani 1 1 d . . .
O8 O 0.0582(2) 0.4880(4) 0.6040(2) 0.0216(12) Uani 1 1 d . . .
N1 N 0.4011(3) 0.0706(4) 0.5222(2) 0.0145(13) Uani 1 1 d . . .
N2 N 0.2889(3) 0.0577(4) 0.4546(2) 0.0138(13) Uani 1 1 d . . .
N3 N 0.3403(3) 0.4213(5) 0.4707(2) 0.0144(13) Uani 1 1 d . . .
N4 N 0.3035(3) 0.3867(4) 0.5665(2) 0.0148(13) Uani 1 1 d . . .
N5 N 0.1850(3) 0.0257(4) 0.5369(2) 0.0155(13) Uani 1 1 d . . .
N6 N 0.0804(3) 0.1326(5) 0.4759(2) 0.0172(13) Uani 1 1 d . . .
N7 N 0.1480(3) 0.4011(5) 0.5040(2) 0.0163(13) Uani 1 1 d . . .
N8 N 0.1122(3) 0.3310(5) 0.6011(2) 0.0173(13) Uani 1 1 d . . .
C1 C 0.4701(3) 0.1973(6) 0.5748(3) 0.0152(15) Uani 1 1 d . . .
C2 C 0.5292(3) 0.2145(6) 0.6081(3) 0.0207(16) Uani 1 1 d . . .
H2 H 0.5409 0.2865 0.6205 0.025 Uiso 1 1 calc R . .
C3 C 0.5722(4) 0.1272(6) 0.6241(3) 0.0229(17) Uani 1 1 d . . .
H3 H 0.6116 0.1430 0.6474 0.028 Uiso 1 1 calc R . .
C4 C 0.5598(3) 0.0219(6) 0.6075(3) 0.0175(16) Uani 1 1 d . . .
H4 H 0.5900 -0.0342 0.6185 0.021 Uiso 1 1 calc R . .
C5 C 0.5006(3) -0.0022(6) 0.5733(3) 0.0184(16) Uani 1 1 d . . .
C6 C 0.4579(3) 0.0855(6) 0.5562(3) 0.0159(15) Uani 1 1 d . . .
C7 C 0.3844(3) -0.0293(6) 0.5037(3) 0.0153(15) Uani 1 1 d . . .
C8 C 0.4238(3) -0.1226(6) 0.5184(3) 0.0165(15) Uani 1 1 d . . .
H8 H 0.4105 -0.1932 0.5049 0.020 Uiso 1 1 calc R . .
C9 C 0.4818(3) -0.1081(6) 0.5528(3) 0.0183(16) Uani 1 1 d . . .
H9 H 0.5090 -0.1689 0.5628 0.022 Uiso 1 1 calc R . .
C10 C 0.3225(3) -0.0301(6) 0.4682(3) 0.0156(16) Uani 1 1 d . . .
C11 C 0.2369(3) -0.0926(6) 0.4160(3) 0.0147(15) Uani 1 1 d . . .
C12 C 0.1903(4) -0.1580(6) 0.3864(3) 0.0222(17) Uani 1 1 d . . .
H12 H 0.1947 -0.2352 0.3849 0.027 Uiso 1 1 calc R . .
C13 C 0.1363(4) -0.1039(6) 0.3587(3) 0.0224(17) Uani 1 1 d . . .
C14 C 0.1318(4) 0.0118(6) 0.3619(3) 0.0187(16) Uani 1 1 d . . .
H14 H 0.0953 0.0473 0.3419 0.022 Uiso 1 1 calc R . .
C15 C 0.1789(3) 0.0741(6) 0.3931(3) 0.0177(16) Uani 1 1 d . . .
H15 H 0.1744 0.1511 0.3960 0.021 Uiso 1 1 calc R . .
C16 C 0.2332(3) 0.0206(5) 0.4202(3) 0.0157(15) Uani 1 1 d . . .
C17 C 0.0813(4) -0.1675(6) 0.3258(3) 0.0284(19) Uani 1 1 d . . .
H17A H 0.0971 -0.2208 0.3024 0.043 Uiso 1 1 calc R . .
H17B H 0.0523 -0.1167 0.3029 0.043 Uiso 1 1 calc R . .
H17C H 0.0590 -0.2059 0.3508 0.043 Uiso 1 1 calc R . .
C18 C 0.3759(3) 0.3281(6) 0.3994(3) 0.0182(16) Uani 1 1 d . . .
C19 C 0.3922(4) 0.3359(6) 0.3476(3) 0.0270(19) Uani 1 1 d . . .
H19 H 0.4072 0.2727 0.3320 0.032 Uiso 1 1 calc R . .
C20 C 0.3869(4) 0.4351(6) 0.3183(3) 0.0291(19) Uani 1 1 d . . .
H20 H 0.3967 0.4358 0.2828 0.035 Uiso 1 1 calc R . .
C21 C 0.3677(4) 0.5325(6) 0.3392(3) 0.0233(17) Uani 1 1 d . . .
H21 H 0.3650 0.5983 0.3186 0.028 Uiso 1 1 calc R . .
C22 C 0.3522(3) 0.5313(5) 0.3916(3) 0.0175(16) Uani 1 1 d . . .
C23 C 0.3572(3) 0.4300(6) 0.4211(3) 0.0163(15) Uani 1 1 d . . .
C24 C 0.3164(3) 0.5076(5) 0.4920(3) 0.0139(15) Uani 1 1 d . . .
C25 C 0.3102(3) 0.6121(5) 0.4663(3) 0.0169(16) Uani 1 1 d . . .
H25 H 0.2940 0.6729 0.4829 0.020 Uiso 1 1 calc R . .
C26 C 0.3284(3) 0.6225(6) 0.4165(3) 0.0191(16) Uani 1 1 d . . .
H26 H 0.3250 0.6915 0.3986 0.023 Uiso 1 1 calc R . .
C27 C 0.2966(3) 0.4820(5) 0.5433(3) 0.0158(15) Uani 1 1 d . . .
C28 C 0.2562(3) 0.5070(5) 0.6153(3) 0.0181(16) Uani 1 1 d . . .
C29 C 0.2289(3) 0.5488(6) 0.6567(3) 0.0185(16) Uani 1 1 d . . .
H29 H 0.2147 0.6223 0.6563 0.022 Uiso 1 1 calc R . .
C30 C 0.2235(3) 0.4775(6) 0.6990(3) 0.0177(16) Uani 1 1 d . . .
C31 C 0.2435(3) 0.3698(6) 0.6982(3) 0.0178(16) Uani 1 1 d . . .
H31 H 0.2378 0.3227 0.7272 0.021 Uiso 1 1 calc R . .
C32 C 0.2721(3) 0.3268(6) 0.6561(3) 0.0158(16) Uani 1 1 d . . .
H32 H 0.2868 0.2535 0.6566 0.019 Uiso 1 1 calc R . .
C33 C 0.2771(3) 0.3988(6) 0.6140(3) 0.0149(15) Uani 1 1 d . . .
C34 C 0.1954(4) 0.5186(6) 0.7462(3) 0.0256(18) Uani 1 1 d . . .
H34A H 0.1576 0.4759 0.7483 0.038 Uiso 1 1 calc R . .
H34B H 0.1840 0.5959 0.7404 0.038 Uiso 1 1 calc R . .
H34C H 0.2264 0.5106 0.7805 0.038 Uiso 1 1 calc R . .
C35 C 0.2904(3) 0.0486(5) 0.5856(3) 0.0124(15) Uani 1 1 d . . .
C36 C 0.3406(3) 0.0006(6) 0.6201(3) 0.0196(16) Uani 1 1 d . . .
H36 H 0.3751 0.0454 0.6367 0.023 Uiso 1 1 calc R . .
C37 C 0.3431(3) -0.1122(6) 0.6319(3) 0.0184(16) Uani 1 1 d . . .
H37 H 0.3791 -0.1412 0.6557 0.022 Uiso 1 1 calc R . .
C38 C 0.2947(3) -0.1811(6) 0.6096(3) 0.0184(16) Uani 1 1 d . . .
H38 H 0.2979 -0.2575 0.6169 0.022 Uiso 1 1 calc R . .
C39 C 0.2407(4) -0.1383(6) 0.5763(3) 0.0203(17) Uani 1 1 d . . .
C40 C 0.2366(3) -0.0220(5) 0.5662(3) 0.0130(15) Uani 1 1 d . . .
C41 C 0.1352(3) -0.0355(6) 0.5137(3) 0.0162(16) Uani 1 1 d . . .
C42 C 0.1345(3) -0.1519(5) 0.5191(3) 0.0184(16) Uani 1 1 d . . .
H42 H 0.0995 -0.1943 0.5016 0.022 Uiso 1 1 calc R . .
C43 C 0.1869(3) -0.2001(6) 0.5508(3) 0.0212(17) Uani 1 1 d . . .
H43 H 0.1872 -0.2772 0.5559 0.025 Uiso 1 1 calc R . .
C44 C 0.0833(3) 0.0258(6) 0.4815(3) 0.0176(16) Uani 1 1 d . . .
C45 C -0.0025(3) 0.0488(6) 0.4203(3) 0.0188(16) Uani 1 1 d . . .
C46 C -0.0565(4) 0.0342(7) 0.3810(3) 0.0267(19) Uani 1 1 d . . .
H46 H -0.0740 -0.0362 0.3716 0.032 Uiso 1 1 calc R . .
C47 C -0.0840(4) 0.1291(7) 0.3559(3) 0.0263(18) Uani 1 1 d . . .
C48 C -0.0567(4) 0.2333(7) 0.3712(3) 0.0273(17) Uani 1 1 d . . .
H48 H -0.0767 0.2968 0.3538 0.033 Uiso 1 1 calc R . .
C49 C -0.0021(3) 0.2457(6) 0.4105(3) 0.0214(16) Uani 1 1 d . . .
H49 H 0.0159 0.3157 0.4198 0.026 Uiso 1 1 calc R . .
C50 C 0.0254(3) 0.1502(6) 0.4360(3) 0.0183(16) Uani 1 1 d . . .
C51 C -0.1448(4) 0.1229(7) 0.3125(3) 0.035(2) Uani 1 1 d . . .
H51A H -0.1811 0.1385 0.3295 0.052 Uiso 1 1 calc R . .
H51B H -0.1492 0.0494 0.2964 0.052 Uiso 1 1 calc R . .
H51C H -0.1432 0.1770 0.2837 0.052 Uiso 1 1 calc R . .
C52 C 0.2042(3) 0.3581(5) 0.4330(3) 0.0123(14) Uani 1 1 d . . .
C53 C 0.2127(4) 0.3800(6) 0.3803(3) 0.0190(16) Uani 1 1 d . . .
H53 H 0.2399 0.3343 0.3645 0.023 Uiso 1 1 calc R . .
C54 C 0.1820(4) 0.4683(6) 0.3493(3) 0.0214(17) Uani 1 1 d . . .
H54 H 0.1898 0.4817 0.3137 0.026 Uiso 1 1 calc R . .
C55 C 0.1409(4) 0.5356(6) 0.3696(3) 0.0222(18) Uani 1 1 d . . .
H55 H 0.1202 0.5939 0.3480 0.027 Uiso 1 1 calc R . .
C56 C 0.1299(3) 0.5170(6) 0.4230(3) 0.0194(16) Uani 1 1 d . . .
C57 C 0.1597(3) 0.4275(5) 0.4540(3) 0.0139(15) Uani 1 1 d . . .
C58 C 0.1071(3) 0.4634(6) 0.5255(3) 0.0174(16) Uani 1 1 d . . .
C59 C 0.0781(3) 0.5564(6) 0.4987(3) 0.0203(17) Uani 1 1 d . . .
H59 H 0.0511 0.6005 0.5154 0.024 Uiso 1 1 calc R . .
C60 C 0.0894(3) 0.5827(6) 0.4479(3) 0.0203(17) Uani 1 1 d . . .
H60 H 0.0700 0.6454 0.4292 0.024 Uiso 1 1 calc R . .
C61 C 0.0942(3) 0.4229(6) 0.5771(3) 0.0182(16) Uani 1 1 d . . .
C62 C 0.0538(3) 0.4285(6) 0.6500(3) 0.0211(17) Uani 1 1 d . . .
C63 C 0.0213(3) 0.4565(7) 0.6911(3) 0.0276(19) Uani 1 1 d . . .
H63 H -0.0009 0.5239 0.6903 0.033 Uiso 1 1 calc R . .
C64 C 0.0227(4) 0.3811(7) 0.7340(3) 0.0278(19) Uani 1 1 d . . .
C65 C 0.0584(4) 0.2842(7) 0.7336(3) 0.0295(19) Uani 1 1 d . . .
H65 H 0.0604 0.2347 0.7633 0.035 Uiso 1 1 calc R . .
C66 C 0.0910(3) 0.2568(6) 0.6924(3) 0.0255(17) Uani 1 1 d . . .
H66 H 0.1147 0.1912 0.6936 0.031 Uiso 1 1 calc R . .
C67 C 0.0867(4) 0.3315(6) 0.6491(3) 0.0213(17) Uani 1 1 d . . .
C68 C -0.0122(4) 0.4058(9) 0.7789(4) 0.042(2) Uani 1 1 d . . .
H68A H -0.0575 0.3959 0.7652 0.063 Uiso 1 1 calc R . .
H68B H -0.0039 0.4816 0.7911 0.063 Uiso 1 1 calc R . .
H68C H 0.0021 0.3561 0.8097 0.063 Uiso 1 1 calc R . .
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'
Na Na 0.0362 0.0249 '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
O1 Yb1 O5 96.67(17) . . ?
O1 Yb1 O7 151.99(17) . . ?
O5 Yb1 O7 86.06(17) . . ?
O1 Yb1 O3 93.49(17) . . ?
O5 Yb1 O3 154.87(17) . . ?
O7 Yb1 O3 95.60(17) . . ?
O1 Yb1 N1 67.58(18) . . ?
O5 Yb1 N1 80.91(18) . . ?
O7 Yb1 N1 139.99(18) . . ?
O3 Yb1 N1 81.85(18) . . ?
O1 Yb1 N3 84.92(18) . . ?
O5 Yb1 N3 135.97(17) . . ?
O7 Yb1 N3 74.23(18) . . ?
O3 Yb1 N3 67.74(18) . . ?
N1 Yb1 N3 137.58(19) . . ?
O1 Yb1 N2 131.70(18) . . ?
O5 Yb1 N2 78.97(17) . . ?
O7 Yb1 N2 76.24(17) . . ?
O3 Yb1 N2 77.11(17) . . ?
N1 Yb1 N2 64.22(18) . . ?
N3 Yb1 N2 130.80(18) . . ?
O1 Yb1 N4 78.16(18) . . ?
O5 Yb1 N4 72.97(17) . . ?
O7 Yb1 N4 76.03(18) . . ?
O3 Yb1 N4 131.80(17) . . ?
N1 Yb1 N4 133.73(19) . . ?
N3 Yb1 N4 64.29(18) . . ?
N2 Yb1 N4 141.50(18) . . ?
O1 Yb1 C1 19.80(17) . . ?
O5 Yb1 C1 91.73(17) . . ?
O7 Yb1 C1 170.97(17) . . ?
O3 Yb1 C1 90.11(17) . . ?
N1 Yb1 C1 47.78(18) . . ?
N3 Yb1 C1 101.68(18) . . ?
N2 Yb1 C1 111.95(18) . . ?
N4 Yb1 C1 94.95(18) . . ?
O1 Yb1 C18 93.00(18) . . ?
O5 Yb1 C18 169.97(18) . . ?
O7 Yb1 C18 86.65(18) . . ?
O3 Yb1 C18 20.32(17) . . ?
N1 Yb1 C18 100.43(18) . . ?
N3 Yb1 C18 47.56(18) . . ?
N2 Yb1 C18 92.59(18) . . ?
N4 Yb1 C18 111.83(18) . . ?
C1 Yb1 C18 96.51(18) . . ?
O1 Yb1 Na1 129.98(13) . . ?
O5 Yb1 Na1 44.04(13) . . ?
O7 Yb1 Na1 42.59(12) . . ?
O3 Yb1 Na1 135.72(13) . . ?
N1 Yb1 Na1 118.75(14) . . ?
N3 Yb1 Na1 103.65(14) . . ?
N2 Yb1 Na1 78.41(13) . . ?
N4 Yb1 Na1 63.09(13) . . ?
C1 Yb1 Na1 133.41(12) . . ?
C18 Yb1 Na1 129.23(14) . . ?
N7 Na1 N5 158.6(2) . . ?
N7 Na1 O7 68.46(19) . . ?
N5 Na1 O7 105.7(2) . . ?
N7 Na1 O5 128.2(2) . . ?
N5 Na1 O5 67.26(19) . . ?
O7 Na1 O5 77.74(17) . . ?
N7 Na1 N6 92.3(2) . . ?
N5 Na1 N6 67.8(2) . . ?
O7 Na1 N6 99.16(19) . . ?
O5 Na1 N6 132.0(2) . . ?
N7 Na1 N8 66.2(2) . . ?
N5 Na1 N8 120.8(2) . . ?
O7 Na1 N8 133.13(19) . . ?
O5 Na1 N8 123.4(2) . . ?
N6 Na1 N8 93.90(19) . . ?
N7 Na1 Yb1 96.30(16) . . ?
N5 Na1 Yb1 89.85(16) . . ?
O7 Na1 Yb1 39.04(11) . . ?
O5 Na1 Yb1 39.20(11) . . ?
N6 Na1 Yb1 126.24(16) . . ?
N8 Na1 Yb1 137.73(15) . . ?
C1 O1 Yb1 123.9(4) . . ?
C10 O2 C11 103.5(5) . . ?
C18 O3 Yb1 122.2(4) . . ?
C27 O4 C28 103.6(5) . . ?
C35 O5 Yb1 130.5(4) . . ?
C35 O5 Na1 113.4(4) . . ?
Yb1 O5 Na1 96.76(18) . . ?
C44 O6 C45 103.6(5) . . ?
C52 O7 Yb1 139.0(4) . . ?
C52 O7 Na1 113.5(4) . . ?
Yb1 O7 Na1 98.38(18) . . ?
C62 O8 C61 103.8(6) . . ?
C7 N1 C6 119.2(6) . . ?
C7 N1 Yb1 124.7(5) . . ?
C6 N1 Yb1 115.9(4) . . ?
C10 N2 C16 105.0(5) . . ?
C10 N2 Yb1 115.2(5) . . ?
C16 N2 Yb1 139.2(4) . . ?
C24 N3 C23 119.7(6) . . ?
C24 N3 Yb1 123.2(4) . . ?
C23 N3 Yb1 115.5(4) . . ?
C27 N4 C33 104.3(6) . . ?
C27 N4 Yb1 114.1(5) . . ?
C33 N4 Yb1 139.3(4) . . ?
C40 N5 C41 120.1(6) . . ?
C40 N5 Na1 118.2(4) . . ?
C41 N5 Na1 121.3(5) . . ?
C44 N6 C50 104.1(6) . . ?
C44 N6 Na1 109.6(5) . . ?
C50 N6 Na1 146.1(5) . . ?
C57 N7 C58 118.9(6) . . ?
C57 N7 Na1 115.5(4) . . ?
C58 N7 Na1 123.5(5) . . ?
C61 N8 C67 104.7(6) . . ?
C61 N8 Na1 107.3(5) . . ?
C67 N8 Na1 148.0(5) . . ?
O1 C1 C2 126.9(6) . . ?
O1 C1 C6 118.3(6) . . ?
C2 C1 C6 114.9(6) . . ?
C2 C1 Yb1 163.2(5) . . ?
C6 C1 Yb1 81.9(4) . . ?
C1 C2 C3 121.7(7) . . ?
C1 C2 H2 119.2 . . ?
C3 C2 H2 119.2 . . ?
C4 C3 C2 123.1(7) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C3 C4 C5 118.5(7) . . ?
C3 C4 H4 120.7 . . ?
C5 C4 H4 120.7 . . ?
C4 C5 C9 124.3(7) . . ?
C4 C5 C6 118.5(6) . . ?
C9 C5 C6 117.1(7) . . ?
N1 C6 C5 122.6(6) . . ?
N1 C6 C1 114.3(6) . . ?
C5 C6 C1 123.1(7) . . ?
N1 C7 C8 122.6(6) . . ?
N1 C7 C10 111.7(6) . . ?
C8 C7 C10 125.7(6) . . ?
C9 C8 C7 118.6(6) . . ?
C9 C8 H8 120.7 . . ?
C7 C8 H8 120.7 . . ?
C8 C9 C5 119.9(7) . . ?
C8 C9 H9 120.0 . . ?
C5 C9 H9 120.0 . . ?
N2 C10 O2 115.4(6) . . ?
N2 C10 C7 123.6(6) . . ?
O2 C10 C7 121.1(6) . . ?
C12 C11 C16 124.7(7) . . ?
C12 C11 O2 127.2(6) . . ?
C16 C11 O2 108.1(6) . . ?
C11 C12 C13 116.1(7) . . ?
C11 C12 H12 121.9 . . ?
C13 C12 H12 121.9 . . ?
C12 C13 C14 120.2(7) . . ?
C12 C13 C17 120.9(7) . . ?
C14 C13 C17 118.9(7) . . ?
C15 C14 C13 122.0(7) . . ?
C15 C14 H14 119.0 . . ?
C13 C14 H14 119.0 . . ?
C14 C15 C16 118.0(7) . . ?
C14 C15 H15 121.0 . . ?
C16 C15 H15 121.0 . . ?
C11 C16 C15 119.0(7) . . ?
C11 C16 N2 108.1(6) . . ?
C15 C16 N2 132.8(6) . . ?
C13 C17 H17A 109.5 . . ?
C13 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C13 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 C19 125.6(6) . . ?
O3 C18 C23 119.1(6) . . ?
C19 C18 C23 115.1(6) . . ?
C19 C18 Yb1 162.0(5) . . ?
C23 C18 Yb1 81.8(4) . . ?
C18 C19 C20 121.6(7) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C21 C20 C19 122.8(7) . . ?
C21 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C20 C21 C22 118.6(7) . . ?
C20 C21 H21 120.7 . . ?
C22 C21 H21 120.7 . . ?
C21 C22 C26 124.6(7) . . ?
C21 C22 C23 118.5(6) . . ?
C26 C22 C23 116.8(6) . . ?
N3 C23 C22 121.8(6) . . ?
N3 C23 C18 114.7(6) . . ?
C22 C23 C18 123.3(7) . . ?
N3 C24 C25 122.8(6) . . ?
N3 C24 C27 112.5(6) . . ?
C25 C24 C27 124.6(6) . . ?
C26 C25 C24 117.9(6) . . ?
C26 C25 H25 121.0 . . ?
C24 C25 H25 121.0 . . ?
C25 C26 C22 120.9(6) . . ?
C25 C26 H26 119.5 . . ?
C22 C26 H26 119.5 . . ?
N4 C27 O4 116.2(6) . . ?
N4 C27 C24 123.7(6) . . ?
O4 C27 C24 120.0(6) . . ?
C29 C28 O4 128.2(6) . . ?
C29 C28 C33 123.6(7) . . ?
O4 C28 C33 108.3(6) . . ?
C28 C29 C30 116.5(7) . . ?
C28 C29 H29 121.7 . . ?
C30 C29 H29 121.7 . . ?
C31 C30 C29 120.7(7) . . ?
C31 C30 C34 120.0(6) . . ?
C29 C30 C34 119.3(6) . . ?
C30 C31 C32 123.0(7) . . ?
C30 C31 H31 118.5 . . ?
C32 C31 H31 118.5 . . ?
C33 C32 C31 115.7(7) . . ?
C33 C32 H32 122.1 . . ?
C31 C32 H32 122.1 . . ?
C32 C33 C28 120.5(7) . . ?
C32 C33 N4 131.9(6) . . ?
C28 C33 N4 107.6(6) . . ?
C30 C34 H34A 109.5 . . ?
C30 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C30 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
O5 C35 C36 124.7(6) . . ?
O5 C35 C40 119.5(6) . . ?
C36 C35 C40 115.8(6) . . ?
C35 C36 C37 122.7(7) . . ?
C35 C36 H36 118.7 . . ?
C37 C36 H36 118.7 . . ?
C38 C37 C36 121.5(7) . . ?
C38 C37 H37 119.2 . . ?
C36 C37 H37 119.2 . . ?
C37 C38 C39 119.5(6) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 H38 120.3 . . ?
C38 C39 C43 125.4(7) . . ?
C38 C39 C40 119.2(7) . . ?
C43 C39 C40 115.4(6) . . ?
N5 C40 C39 122.7(6) . . ?
N5 C40 C35 116.6(6) . . ?
C39 C40 C35 120.7(6) . . ?
N5 C41 C42 122.4(6) . . ?
N5 C41 C44 114.6(6) . . ?
C42 C41 C44 123.0(6) . . ?
C43 C42 C41 117.2(6) . . ?
C43 C42 H42 121.4 . . ?
C41 C42 H42 121.4 . . ?
C42 C43 C39 122.2(6) . . ?
C42 C43 H43 118.9 . . ?
C39 C43 H43 118.9 . . ?
N6 C44 O6 116.0(6) . . ?
N6 C44 C41 126.0(7) . . ?
O6 C44 C41 117.7(6) . . ?
C46 C45 O6 127.5(7) . . ?
C46 C45 C50 124.7(7) . . ?
O6 C45 C50 107.7(6) . . ?
C45 C46 C47 115.9(7) . . ?
C45 C46 H46 122.0 . . ?
C47 C46 H46 122.0 . . ?
C46 C47 C48 120.4(7) . . ?
C46 C47 C51 120.5(7) . . ?
C48 C47 C51 119.1(7) . . ?
C49 C48 C47 122.5(7) . . ?
C49 C48 H48 118.8 . . ?
C47 C48 H48 118.8 . . ?
C48 C49 C50 117.1(7) . . ?
C48 C49 H49 121.5 . . ?
C50 C49 H49 121.5 . . ?
C45 C50 C49 119.3(7) . . ?
C45 C50 N6 108.6(6) . . ?
C49 C50 N6 132.1(7) . . ?
C47 C51 H51A 109.5 . . ?
C47 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C47 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
O7 C52 C53 123.8(6) . . ?
O7 C52 C57 119.6(6) . . ?
C53 C52 C57 116.7(6) . . ?
C52 C53 C54 121.8(7) . . ?
C52 C53 H53 119.1 . . ?
C54 C53 H53 119.1 . . ?
C55 C54 C53 121.5(7) . . ?
C55 C54 H54 119.2 . . ?
C53 C54 H54 119.2 . . ?
C54 C55 C56 119.3(7) . . ?
C54 C55 H55 120.3 . . ?
C56 C55 H55 120.3 . . ?
C55 C56 C60 123.6(7) . . ?
C55 C56 C57 119.6(7) . . ?
C60 C56 C57 116.9(7) . . ?
N7 C57 C56 122.4(6) . . ?
N7 C57 C52 116.6(6) . . ?
C56 C57 C52 121.0(6) . . ?
N7 C58 C59 122.2(7) . . ?
N7 C58 C61 114.3(6) . . ?
C59 C58 C61 123.4(7) . . ?
C60 C59 C58 118.9(7) . . ?
C60 C59 H59 120.5 . . ?
C58 C59 H59 120.5 . . ?
C59 C60 C56 120.5(7) . . ?
C59 C60 H60 119.7 . . ?
C56 C60 H60 119.7 . . ?
N8 C61 O8 115.1(6) . . ?
N8 C61 C58 127.6(6) . . ?
O8 C61 C58 117.3(6) . . ?
O8 C62 C67 108.6(6) . . ?
O8 C62 C63 127.6(7) . . ?
C67 C62 C63 123.8(7) . . ?
C62 C63 C64 117.4(8) . . ?
C62 C63 H63 121.3 . . ?
C64 C63 H63 121.3 . . ?
C63 C64 C65 118.2(7) . . ?
C63 C64 C68 119.8(8) . . ?
C65 C64 C68 122.1(8) . . ?
C66 C65 C64 124.2(8) . . ?
C66 C65 H65 117.9 . . ?
C64 C65 H65 117.9 . . ?
C65 C66 C67 116.3(8) . . ?
C65 C66 H66 121.8 . . ?
C67 C66 H66 121.8 . . ?
C62 C67 C66 120.1(7) . . ?
C62 C67 N8 107.8(6) . . ?
C66 C67 N8 132.1(7) . . ?
C64 C68 H68A 109.5 . . ?
C64 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C64 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
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
Yb1 O1 2.251(5) . ?
Yb1 O5 2.263(5) . ?
Yb1 O7 2.263(5) . ?
Yb1 O3 2.280(5) . ?
Yb1 N1 2.453(6) . ?
Yb1 N3 2.470(6) . ?
Yb1 N2 2.565(5) . ?
Yb1 N4 2.590(6) . ?
Yb1 C1 3.155(7) . ?
Yb1 C18 3.173(7) . ?
Yb1 Na1 3.556(3) . ?
Na1 N7 2.391(6) . ?
Na1 N5 2.392(6) . ?
Na1 O7 2.432(5) . ?
Na1 O5 2.489(6) . ?
Na1 N6 2.600(7) . ?
Na1 N8 2.740(6) . ?
O1 C1 1.287(8) . ?
O2 C10 1.375(8) . ?
O2 C11 1.400(8) . ?
O3 C18 1.302(8) . ?
O4 C27 1.369(8) . ?
O4 C28 1.387(9) . ?
O5 C35 1.315(8) . ?
O6 C44 1.367(8) . ?
O6 C45 1.398(8) . ?
O7 C52 1.313(8) . ?
O8 C62 1.375(9) . ?
O8 C61 1.376(8) . ?
N1 C7 1.330(9) . ?
N1 C6 1.359(9) . ?
N2 C10 1.302(9) . ?
N2 C16 1.408(9) . ?
N3 C24 1.330(9) . ?
N3 C23 1.361(9) . ?
N4 C27 1.296(9) . ?
N4 C33 1.421(9) . ?
N5 C40 1.340(9) . ?
N5 C41 1.345(9) . ?
N6 C44 1.313(9) . ?
N6 C50 1.406(9) . ?
N7 C57 1.356(9) . ?
N7 C58 1.356(9) . ?
N8 C61 1.296(9) . ?
N8 C67 1.412(9) . ?
C1 C2 1.394(10) . ?
C1 C6 1.451(10) . ?
C2 C3 1.420(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.362(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.421(10) . ?
C4 H4 0.9500 . ?
C5 C9 1.421(10) . ?
C5 C6 1.424(10) . ?
C7 C8 1.426(10) . ?
C7 C10 1.451(10) . ?
C8 C9 1.383(10) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C11 C12 1.379(10) . ?
C11 C16 1.391(10) . ?
C12 C13 1.399(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.420(10) . ?
C13 C17 1.518(10) . ?
C14 C15 1.380(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.396(10) . ?
C15 H15 0.9500 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.407(10) . ?
C18 C23 1.447(10) . ?
C19 C20 1.408(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(11) . ?
C20 H20 0.9500 . ?
C21 C22 1.411(10) . ?
C21 H21 0.9500 . ?
C22 C26 1.420(10) . ?
C22 C23 1.432(10) . ?
C24 C25 1.423(9) . ?
C24 C27 1.461(9) . ?
C25 C26 1.380(10) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C28 C29 1.384(10) . ?
C28 C33 1.399(10) . ?
C29 C30 1.389(10) . ?
C29 H29 0.9500 . ?
C30 C31 1.386(10) . ?
C30 C34 1.512(10) . ?
C31 C32 1.420(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.388(10) . ?
C32 H32 0.9500 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C36 1.376(10) . ?
C35 C40 1.453(10) . ?
C36 C37 1.408(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.372(10) . ?
C37 H37 0.9500 . ?
C38 C39 1.394(10) . ?
C38 H38 0.9500 . ?
C39 C43 1.425(10) . ?
C39 C40 1.442(9) . ?
C41 C42 1.429(10) . ?
C41 C44 1.453(10) . ?
C42 C43 1.378(10) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C45 C46 1.380(10) . ?
C45 C50 1.400(10) . ?
C46 C47 1.393(11) . ?
C46 H46 0.9500 . ?
C47 C48 1.424(11) . ?
C47 C51 1.530(11) . ?
C48 C49 1.384(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.403(10) . ?
C49 H49 0.9500 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C53 1.389(10) . ?
C52 C57 1.456(9) . ?
C53 C54 1.414(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.378(11) . ?
C54 H54 0.9500 . ?
C55 C56 1.415(11) . ?
C55 H55 0.9500 . ?
C56 C60 1.417(10) . ?
C56 C57 1.418(9) . ?
C58 C59 1.400(10) . ?
C58 C61 1.456(10) . ?
C59 C60 1.375(10) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C62 C67 1.385(11) . ?
C62 C63 1.396(10) . ?
C63 C64 1.407(12) . ?
C63 H63 0.9500 . ?
C64 C65 1.414(12) . ?
C64 C68 1.497(11) . ?
C65 C66 1.397(11) . ?
C65 H65 0.9500 . ?
C66 C67 1.402(10) . ?
C66 H66 0.9500 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
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
O1 Yb1 Na1 N7 98.5(2) . . . . ?
O5 Yb1 Na1 N7 148.0(2) . . . . ?
O7 Yb1 Na1 N7 -43.7(2) . . . . ?
O3 Yb1 Na1 N7 -68.4(2) . . . . ?
N1 Yb1 Na1 N7 -177.7(2) . . . . ?
N3 Yb1 Na1 N7 3.6(2) . . . . ?
N2 Yb1 Na1 N7 -125.9(2) . . . . ?
N4 Yb1 Na1 N7 55.0(2) . . . . ?
C1 Yb1 Na1 N7 124.7(2) . . . . ?
C18 Yb1 Na1 N7 -42.1(2) . . . . ?
O1 Yb1 Na1 N5 -102.1(2) . . . . ?
O5 Yb1 Na1 N5 -52.5(2) . . . . ?
O7 Yb1 Na1 N5 115.7(2) . . . . ?
O3 Yb1 Na1 N5 91.1(2) . . . . ?
N1 Yb1 Na1 N5 -18.2(2) . . . . ?
N3 Yb1 Na1 N5 163.1(2) . . . . ?
N2 Yb1 Na1 N5 33.5(2) . . . . ?
N4 Yb1 Na1 N5 -145.5(2) . . . . ?
C1 Yb1 Na1 N5 -75.8(2) . . . . ?
C18 Yb1 Na1 N5 117.3(2) . . . . ?
O1 Yb1 Na1 O7 142.2(2) . . . . ?
O5 Yb1 Na1 O7 -168.2(3) . . . . ?
O3 Yb1 Na1 O7 -24.6(3) . . . . ?
N1 Yb1 Na1 O7 -134.0(2) . . . . ?
N3 Yb1 Na1 O7 47.3(2) . . . . ?
N2 Yb1 Na1 O7 -82.2(2) . . . . ?
N4 Yb1 Na1 O7 98.8(2) . . . . ?
C1 Yb1 Na1 O7 168.5(2) . . . . ?
C18 Yb1 Na1 O7 1.6(2) . . . . ?
O1 Yb1 Na1 O5 -49.5(2) . . . . ?
O7 Yb1 Na1 O5 168.2(3) . . . . ?
O3 Yb1 Na1 O5 143.6(2) . . . . ?
N1 Yb1 Na1 O5 34.3(2) . . . . ?
N3 Yb1 Na1 O5 -144.4(2) . . . . ?
N2 Yb1 Na1 O5 86.1(2) . . . . ?
N4 Yb1 Na1 O5 -93.0(2) . . . . ?
C1 Yb1 Na1 O5 -23.3(3) . . . . ?
C18 Yb1 Na1 O5 169.9(2) . . . . ?
O1 Yb1 Na1 N6 -164.0(2) . . . . ?
O5 Yb1 Na1 N6 -114.4(3) . . . . ?
O7 Yb1 Na1 N6 53.8(2) . . . . ?
O3 Yb1 Na1 N6 29.2(3) . . . . ?
N1 Yb1 Na1 N6 -80.1(2) . . . . ?
N3 Yb1 Na1 N6 101.2(2) . . . . ?
N2 Yb1 Na1 N6 -28.4(2) . . . . ?
N4 Yb1 Na1 N6 152.6(2) . . . . ?
C1 Yb1 Na1 N6 -137.7(2) . . . . ?
C18 Yb1 Na1 N6 55.4(3) . . . . ?
O1 Yb1 Na1 N8 37.3(3) . . . . ?
O5 Yb1 Na1 N8 86.9(3) . . . . ?
O7 Yb1 Na1 N8 -104.9(3) . . . . ?
O3 Yb1 Na1 N8 -129.5(3) . . . . ?
N1 Yb1 Na1 N8 121.2(3) . . . . ?
N3 Yb1 Na1 N8 -57.5(3) . . . . ?
N2 Yb1 Na1 N8 172.9(3) . . . . ?
N4 Yb1 Na1 N8 -6.1(3) . . . . ?
C1 Yb1 Na1 N8 63.6(3) . . . . ?
C18 Yb1 Na1 N8 -103.3(3) . . . . ?
O5 Yb1 O1 C1 76.4(5) . . . . ?
O7 Yb1 O1 C1 170.6(4) . . . . ?
O3 Yb1 O1 C1 -80.6(5) . . . . ?
N1 Yb1 O1 C1 -0.9(5) . . . . ?
N3 Yb1 O1 C1 -147.8(5) . . . . ?
N2 Yb1 O1 C1 -4.8(6) . . . . ?
N4 Yb1 O1 C1 147.4(5) . . . . ?
C18 Yb1 O1 C1 -100.9(5) . . . . ?
Na1 Yb1 O1 C1 108.6(5) . . . . ?
O1 Yb1 O3 C18 -89.2(5) . . . . ?
O5 Yb1 O3 C18 157.0(5) . . . . ?
O7 Yb1 O3 C18 64.3(5) . . . . ?
N1 Yb1 O3 C18 -156.0(5) . . . . ?
N3 Yb1 O3 C18 -6.1(5) . . . . ?
N2 Yb1 O3 C18 138.8(5) . . . . ?
N4 Yb1 O3 C18 -12.0(6) . . . . ?
C1 Yb1 O3 C18 -108.7(5) . . . . ?
Na1 Yb1 O3 C18 80.7(5) . . . . ?
O1 Yb1 O5 C35 -87.1(6) . . . . ?
O7 Yb1 O5 C35 120.9(6) . . . . ?
O3 Yb1 O5 C35 26.1(8) . . . . ?
N1 Yb1 O5 C35 -21.2(6) . . . . ?
N3 Yb1 O5 C35 -176.7(5) . . . . ?
N2 Yb1 O5 C35 44.1(6) . . . . ?
N4 Yb1 O5 C35 -162.5(6) . . . . ?
C1 Yb1 O5 C35 -67.9(6) . . . . ?
C18 Yb1 O5 C35 77.3(12) . . . . ?
Na1 Yb1 O5 C35 128.8(6) . . . . ?
O1 Yb1 O5 Na1 144.06(18) . . . . ?
O7 Yb1 O5 Na1 -7.94(17) . . . . ?
O3 Yb1 O5 Na1 -102.7(4) . . . . ?
N1 Yb1 O5 Na1 -150.0(2) . . . . ?
N3 Yb1 O5 Na1 54.5(3) . . . . ?
N2 Yb1 O5 Na1 -84.67(19) . . . . ?
N4 Yb1 O5 Na1 68.64(18) . . . . ?
C1 Yb1 O5 Na1 163.29(18) . . . . ?
C18 Yb1 O5 Na1 -51.5(10) . . . . ?
N7 Na1 O5 C35 178.2(4) . . . . ?
N5 Na1 O5 C35 -19.1(4) . . . . ?
O7 Na1 O5 C35 -132.2(4) . . . . ?
N6 Na1 O5 C35 -40.8(5) . . . . ?
N8 Na1 O5 C35 93.8(5) . . . . ?
Yb1 Na1 O5 C35 -139.8(5) . . . . ?
N7 Na1 O5 Yb1 -42.0(3) . . . . ?
N5 Na1 O5 Yb1 120.6(2) . . . . ?
O7 Na1 O5 Yb1 7.54(16) . . . . ?
N6 Na1 O5 Yb1 98.9(3) . . . . ?
N8 Na1 O5 Yb1 -126.5(2) . . . . ?
O1 Yb1 O7 C52 53.1(8) . . . . ?
O5 Yb1 O7 C52 149.9(6) . . . . ?
O3 Yb1 O7 C52 -55.3(6) . . . . ?
N1 Yb1 O7 C52 -139.3(6) . . . . ?
N3 Yb1 O7 C52 9.7(6) . . . . ?
N2 Yb1 O7 C52 -130.5(6) . . . . ?
N4 Yb1 O7 C52 76.5(6) . . . . ?
C18 Yb1 O7 C52 -37.0(6) . . . . ?
Na1 Yb1 O7 C52 141.7(7) . . . . ?
O1 Yb1 O7 Na1 -88.6(4) . . . . ?
O5 Yb1 O7 Na1 8.16(18) . . . . ?
O3 Yb1 O7 Na1 163.00(18) . . . . ?
N1 Yb1 O7 Na1 79.0(3) . . . . ?
N3 Yb1 O7 Na1 -132.0(2) . . . . ?
N2 Yb1 O7 Na1 87.76(19) . . . . ?
N4 Yb1 O7 Na1 -65.26(18) . . . . ?
C18 Yb1 O7 Na1 -178.74(19) . . . . ?
N7 Na1 O7 C52 -21.3(4) . . . . ?
N5 Na1 O7 C52 136.9(4) . . . . ?
O5 Na1 O7 C52 -161.3(4) . . . . ?
N6 Na1 O7 C52 67.5(4) . . . . ?
N8 Na1 O7 C52 -36.7(5) . . . . ?
Yb1 Na1 O7 C52 -153.7(5) . . . . ?
N7 Na1 O7 Yb1 132.4(2) . . . . ?
N5 Na1 O7 Yb1 -69.4(2) . . . . ?
O5 Na1 O7 Yb1 -7.57(16) . . . . ?
N6 Na1 O7 Yb1 -138.74(18) . . . . ?
N8 Na1 O7 Yb1 117.1(2) . . . . ?
O1 Yb1 N1 C7 177.4(6) . . . . ?
O5 Yb1 N1 C7 76.3(5) . . . . ?
O7 Yb1 N1 C7 3.7(7) . . . . ?
O3 Yb1 N1 C7 -85.4(5) . . . . ?
N3 Yb1 N1 C7 -129.0(5) . . . . ?
N2 Yb1 N1 C7 -5.8(5) . . . . ?
N4 Yb1 N1 C7 132.0(5) . . . . ?
C1 Yb1 N1 C7 177.0(6) . . . . ?
C18 Yb1 N1 C7 -93.6(5) . . . . ?
Na1 Yb1 N1 C7 52.9(6) . . . . ?
O1 Yb1 N1 C6 1.8(4) . . . . ?
O5 Yb1 N1 C6 -99.3(5) . . . . ?
O7 Yb1 N1 C6 -171.9(4) . . . . ?
O3 Yb1 N1 C6 99.0(5) . . . . ?
N3 Yb1 N1 C6 55.4(6) . . . . ?
N2 Yb1 N1 C6 178.6(5) . . . . ?
N4 Yb1 N1 C6 -43.6(6) . . . . ?
C1 Yb1 N1 C6 1.4(4) . . . . ?
C18 Yb1 N1 C6 90.8(5) . . . . ?
Na1 Yb1 N1 C6 -122.7(4) . . . . ?
O1 Yb1 N2 C10 10.3(6) . . . . ?
O5 Yb1 N2 C10 -78.9(5) . . . . ?
O7 Yb1 N2 C10 -167.5(5) . . . . ?
O3 Yb1 N2 C10 93.4(5) . . . . ?
N1 Yb1 N2 C10 6.3(5) . . . . ?
N3 Yb1 N2 C10 138.1(5) . . . . ?
N4 Yb1 N2 C10 -122.5(5) . . . . ?
C1 Yb1 N2 C10 8.5(5) . . . . ?
C18 Yb1 N2 C10 106.6(5) . . . . ?
Na1 Yb1 N2 C10 -123.8(5) . . . . ?
O1 Yb1 N2 C16 179.5(6) . . . . ?
O5 Yb1 N2 C16 90.3(7) . . . . ?
O7 Yb1 N2 C16 1.7(6) . . . . ?
O3 Yb1 N2 C16 -97.4(7) . . . . ?
N1 Yb1 N2 C16 175.5(7) . . . . ?
N3 Yb1 N2 C16 -52.7(7) . . . . ?
N4 Yb1 N2 C16 46.7(8) . . . . ?
C1 Yb1 N2 C16 177.7(6) . . . . ?
C18 Yb1 N2 C16 -84.2(7) . . . . ?
Na1 Yb1 N2 C16 45.4(6) . . . . ?
O1 Yb1 N3 C24 -91.5(5) . . . . ?
O5 Yb1 N3 C24 2.8(7) . . . . ?
O7 Yb1 N3 C24 69.6(5) . . . . ?
O3 Yb1 N3 C24 172.6(6) . . . . ?
N1 Yb1 N3 C24 -139.9(5) . . . . ?
N2 Yb1 N3 C24 124.8(5) . . . . ?
N4 Yb1 N3 C24 -12.2(5) . . . . ?
C1 Yb1 N3 C24 -102.1(5) . . . . ?
C18 Yb1 N3 C24 169.7(6) . . . . ?
Na1 Yb1 N3 C24 38.4(6) . . . . ?
O1 Yb1 N3 C23 102.8(5) . . . . ?
O5 Yb1 N3 C23 -162.8(4) . . . . ?
O7 Yb1 N3 C23 -96.1(5) . . . . ?
O3 Yb1 N3 C23 6.9(5) . . . . ?
N1 Yb1 N3 C23 54.5(6) . . . . ?
N2 Yb1 N3 C23 -40.9(6) . . . . ?
N4 Yb1 N3 C23 -177.9(5) . . . . ?
C1 Yb1 N3 C23 92.2(5) . . . . ?
C18 Yb1 N3 C23 4.0(4) . . . . ?
Na1 Yb1 N3 C23 -127.2(5) . . . . ?
O1 Yb1 N4 C27 101.9(5) . . . . ?
O5 Yb1 N4 C27 -157.2(5) . . . . ?
O7 Yb1 N4 C27 -67.1(5) . . . . ?
O3 Yb1 N4 C27 17.9(6) . . . . ?
N1 Yb1 N4 C27 144.2(5) . . . . ?
N3 Yb1 N4 C27 11.9(5) . . . . ?
N2 Yb1 N4 C27 -112.1(5) . . . . ?
C1 Yb1 N4 C27 112.5(5) . . . . ?
C18 Yb1 N4 C27 13.4(6) . . . . ?
Na1 Yb1 N4 C27 -110.7(5) . . . . ?
O1 Yb1 N4 C33 -98.5(7) . . . . ?
O5 Yb1 N4 C33 2.4(7) . . . . ?
O7 Yb1 N4 C33 92.5(7) . . . . ?
O3 Yb1 N4 C33 177.5(6) . . . . ?
N1 Yb1 N4 C33 -56.2(8) . . . . ?
N3 Yb1 N4 C33 171.5(7) . . . . ?
N2 Yb1 N4 C33 47.4(8) . . . . ?
C1 Yb1 N4 C33 -87.9(7) . . . . ?
C18 Yb1 N4 C33 173.0(7) . . . . ?
Na1 Yb1 N4 C33 48.9(7) . . . . ?
N7 Na1 N5 C40 156.5(6) . . . . ?
O7 Na1 N5 C40 85.5(5) . . . . ?
O5 Na1 N5 C40 16.4(5) . . . . ?
N6 Na1 N5 C40 179.1(5) . . . . ?
N8 Na1 N5 C40 -100.0(5) . . . . ?
Yb1 Na1 N5 C40 49.4(5) . . . . ?
N7 Na1 N5 C41 -30.6(9) . . . . ?
O7 Na1 N5 C41 -101.6(5) . . . . ?
O5 Na1 N5 C41 -170.6(6) . . . . ?
N6 Na1 N5 C41 -7.9(5) . . . . ?
N8 Na1 N5 C41 72.9(6) . . . . ?
Yb1 Na1 N5 C41 -137.7(5) . . . . ?
N7 Na1 N6 C44 177.2(5) . . . . ?
N5 Na1 N6 C44 5.3(5) . . . . ?
O7 Na1 N6 C44 108.6(5) . . . . ?
O5 Na1 N6 C44 26.9(6) . . . . ?
N8 Na1 N6 C44 -116.5(5) . . . . ?
Yb1 Na1 N6 C44 77.6(5) . . . . ?
N7 Na1 N6 C50 3.9(8) . . . . ?
N5 Na1 N6 C50 -168.0(9) . . . . ?
O7 Na1 N6 C50 -64.6(8) . . . . ?
O5 Na1 N6 C50 -146.3(8) . . . . ?
N8 Na1 N6 C50 70.2(8) . . . . ?
Yb1 Na1 N6 C50 -95.6(8) . . . . ?
N5 Na1 N7 C57 -58.6(8) . . . . ?
O7 Na1 N7 C57 19.4(4) . . . . ?
O5 Na1 N7 C57 72.5(5) . . . . ?
N6 Na1 N7 C57 -79.5(5) . . . . ?
N8 Na1 N7 C57 -172.8(5) . . . . ?
Yb1 Na1 N7 C57 47.3(5) . . . . ?
N5 Na1 N7 C58 104.7(8) . . . . ?
O7 Na1 N7 C58 -177.3(6) . . . . ?
O5 Na1 N7 C58 -124.2(5) . . . . ?
N6 Na1 N7 C58 83.8(5) . . . . ?
N8 Na1 N7 C58 -9.5(5) . . . . ?
Yb1 Na1 N7 C58 -149.4(5) . . . . ?
N7 Na1 N8 C61 4.6(4) . . . . ?
N5 Na1 N8 C61 -152.5(5) . . . . ?
O7 Na1 N8 C61 20.2(6) . . . . ?
O5 Na1 N8 C61 125.8(5) . . . . ?
N6 Na1 N8 C61 -86.2(5) . . . . ?
Yb1 Na1 N8 C61 76.8(5) . . . . ?
N7 Na1 N8 C67 -177.7(9) . . . . ?
N5 Na1 N8 C67 25.2(9) . . . . ?
O7 Na1 N8 C67 -162.1(8) . . . . ?
O5 Na1 N8 C67 -56.5(9) . . . . ?
N6 Na1 N8 C67 91.5(9) . . . . ?
Yb1 Na1 N8 C67 -105.6(8) . . . . ?
Yb1 O1 C1 C2 179.4(5) . . . . ?
Yb1 O1 C1 C6 -0.1(8) . . . . ?
O5 Yb1 C1 O1 -105.0(5) . . . . ?
O3 Yb1 C1 O1 100.0(5) . . . . ?
N1 Yb1 C1 O1 178.9(6) . . . . ?
N3 Yb1 C1 O1 32.8(5) . . . . ?
N2 Yb1 C1 O1 176.2(5) . . . . ?
N4 Yb1 C1 O1 -32.0(5) . . . . ?
C18 Yb1 C1 O1 80.7(5) . . . . ?
Na1 Yb1 C1 O1 -89.1(5) . . . . ?
O1 Yb1 C1 C2 -1.5(15) . . . . ?
O5 Yb1 C1 C2 -106.6(17) . . . . ?
O3 Yb1 C1 C2 98.5(17) . . . . ?
N1 Yb1 C1 C2 177.4(17) . . . . ?
N3 Yb1 C1 C2 31.2(17) . . . . ?
N2 Yb1 C1 C2 174.6(16) . . . . ?
N4 Yb1 C1 C2 -33.5(17) . . . . ?
C18 Yb1 C1 C2 79.2(17) . . . . ?
Na1 Yb1 C1 C2 -90.6(17) . . . . ?
O1 Yb1 C1 C6 179.9(7) . . . . ?
O5 Yb1 C1 C6 74.9(4) . . . . ?
O3 Yb1 C1 C6 -80.1(4) . . . . ?
N1 Yb1 C1 C6 -1.2(4) . . . . ?
N3 Yb1 C1 C6 -147.3(4) . . . . ?
N2 Yb1 C1 C6 -3.9(4) . . . . ?
N4 Yb1 C1 C6 147.9(4) . . . . ?
C18 Yb1 C1 C6 -99.4(4) . . . . ?
Na1 Yb1 C1 C6 90.8(4) . . . . ?
O1 C1 C2 C3 177.7(7) . . . . ?
C6 C1 C2 C3 -2.7(10) . . . . ?
Yb1 C1 C2 C3 178.9(12) . . . . ?
C1 C2 C3 C4 1.2(11) . . . . ?
C2 C3 C4 C5 -1.0(11) . . . . ?
C3 C4 C5 C9 179.6(7) . . . . ?
C3 C4 C5 C6 2.4(10) . . . . ?
C7 N1 C6 C5 -0.4(10) . . . . ?
Yb1 N1 C6 C5 175.4(5) . . . . ?
C7 N1 C6 C1 -178.4(6) . . . . ?
Yb1 N1 C6 C1 -2.5(7) . . . . ?
C4 C5 C6 N1 178.0(6) . . . . ?
C9 C5 C6 N1 0.6(10) . . . . ?
C4 C5 C6 C1 -4.2(10) . . . . ?
C9 C5 C6 C1 178.4(6) . . . . ?
O1 C1 C6 N1 1.8(9) . . . . ?
C2 C1 C6 N1 -177.8(6) . . . . ?
Yb1 C1 C6 N1 1.8(5) . . . . ?
O1 C1 C6 C5 -176.1(6) . . . . ?
C2 C1 C6 C5 4.3(10) . . . . ?
Yb1 C1 C6 C5 -176.2(6) . . . . ?
C6 N1 C7 C8 0.4(10) . . . . ?
Yb1 N1 C7 C8 -175.0(5) . . . . ?
C6 N1 C7 C10 179.9(6) . . . . ?
Yb1 N1 C7 C10 4.4(8) . . . . ?
N1 C7 C8 C9 -0.7(10) . . . . ?
C10 C7 C8 C9 180.0(7) . . . . ?
C7 C8 C9 C5 0.9(10) . . . . ?
C4 C5 C9 C8 -178.1(7) . . . . ?
C6 C5 C9 C8 -0.9(10) . . . . ?
C16 N2 C10 O2 -0.9(8) . . . . ?
Yb1 N2 C10 O2 171.9(4) . . . . ?
C16 N2 C10 C7 179.9(6) . . . . ?
Yb1 N2 C10 C7 -7.4(9) . . . . ?
C11 O2 C10 N2 0.3(7) . . . . ?
C11 O2 C10 C7 179.5(6) . . . . ?
N1 C7 C10 N2 2.5(10) . . . . ?
C8 C7 C10 N2 -178.1(7) . . . . ?
N1 C7 C10 O2 -176.7(6) . . . . ?
C8 C7 C10 O2 2.7(11) . . . . ?
C10 O2 C11 C12 -179.3(7) . . . . ?
C10 O2 C11 C16 0.5(7) . . . . ?
C16 C11 C12 C13 0.5(11) . . . . ?
O2 C11 C12 C13 -179.8(7) . . . . ?
C11 C12 C13 C14 0.3(11) . . . . ?
C11 C12 C13 C17 -178.7(7) . . . . ?
C12 C13 C14 C15 -1.9(11) . . . . ?
C17 C13 C14 C15 177.1(7) . . . . ?
C13 C14 C15 C16 2.6(11) . . . . ?
C12 C11 C16 C15 0.2(11) . . . . ?
O2 C11 C16 C15 -179.5(6) . . . . ?
C12 C11 C16 N2 178.8(7) . . . . ?
O2 C11 C16 N2 -1.0(8) . . . . ?
C14 C15 C16 C11 -1.8(10) . . . . ?
C14 C15 C16 N2 -179.9(7) . . . . ?
C10 N2 C16 C11 1.1(8) . . . . ?
Yb1 N2 C16 C11 -168.8(5) . . . . ?
C10 N2 C16 C15 179.3(8) . . . . ?
Yb1 N2 C16 C15 9.4(13) . . . . ?
Yb1 O3 C18 C19 -171.3(6) . . . . ?
Yb1 O3 C18 C23 4.8(9) . . . . ?
O1 Yb1 C18 O3 92.0(5) . . . . ?
O5 Yb1 C18 O3 -72.6(12) . . . . ?
O7 Yb1 C18 O3 -116.1(5) . . . . ?
N1 Yb1 C18 O3 24.2(5) . . . . ?
N3 Yb1 C18 O3 172.3(6) . . . . ?
N2 Yb1 C18 O3 -40.0(5) . . . . ?
N4 Yb1 C18 O3 170.4(5) . . . . ?
C1 Yb1 C18 O3 72.4(5) . . . . ?
Na1 Yb1 C18 O3 -117.2(5) . . . . ?
O1 Yb1 C18 C19 115.3(18) . . . . ?
O5 Yb1 C18 C19 -49(2) . . . . ?
O7 Yb1 C18 C19 -92.7(18) . . . . ?
O3 Yb1 C18 C19 23.4(16) . . . . ?
N1 Yb1 C18 C19 47.6(18) . . . . ?
N3 Yb1 C18 C19 -164.3(19) . . . . ?
N2 Yb1 C18 C19 -16.7(18) . . . . ?
N4 Yb1 C18 C19 -166.2(18) . . . . ?
C1 Yb1 C18 C19 95.8(18) . . . . ?
Na1 Yb1 C18 C19 -93.8(18) . . . . ?
O1 Yb1 C18 C23 -83.8(4) . . . . ?
O5 Yb1 C18 C23 111.6(10) . . . . ?
O7 Yb1 C18 C23 68.2(4) . . . . ?
O3 Yb1 C18 C23 -175.8(8) . . . . ?
N1 Yb1 C18 C23 -151.6(4) . . . . ?
N3 Yb1 C18 C23 -3.5(4) . . . . ?
N2 Yb1 C18 C23 144.2(4) . . . . ?
N4 Yb1 C18 C23 -5.4(5) . . . . ?
C1 Yb1 C18 C23 -103.4(4) . . . . ?
Na1 Yb1 C18 C23 67.1(4) . . . . ?
O3 C18 C19 C20 172.7(8) . . . . ?
C23 C18 C19 C20 -3.6(12) . . . . ?
Yb1 C18 C19 C20 155.4(14) . . . . ?
C18 C19 C20 C21 2.6(13) . . . . ?
C19 C20 C21 C22 -0.7(13) . . . . ?
C20 C21 C22 C26 -176.0(7) . . . . ?
C20 C21 C22 C23 0.2(11) . . . . ?
C24 N3 C23 C22 2.2(10) . . . . ?
Yb1 N3 C23 C22 168.4(5) . . . . ?
C24 N3 C23 C18 -173.4(6) . . . . ?
Yb1 N3 C23 C18 -7.2(8) . . . . ?
C21 C22 C23 N3 -176.8(7) . . . . ?
C26 C22 C23 N3 -0.3(10) . . . . ?
C21 C22 C23 C18 -1.5(11) . . . . ?
C26 C22 C23 C18 175.0(7) . . . . ?
O3 C18 C23 N3 2.2(10) . . . . ?
C19 C18 C23 N3 178.7(7) . . . . ?
Yb1 C18 C23 N3 5.1(5) . . . . ?
O3 C18 C23 C22 -173.4(7) . . . . ?
C19 C18 C23 C22 3.1(11) . . . . ?
Yb1 C18 C23 C22 -170.4(7) . . . . ?
C23 N3 C24 C25 -2.9(10) . . . . ?
Yb1 N3 C24 C25 -168.0(5) . . . . ?
C23 N3 C24 C27 175.8(6) . . . . ?
Yb1 N3 C24 C27 10.7(8) . . . . ?
N3 C24 C25 C26 1.6(11) . . . . ?
C27 C24 C25 C26 -177.0(7) . . . . ?
C24 C25 C26 C22 0.4(11) . . . . ?
C21 C22 C26 C25 175.2(7) . . . . ?
C23 C22 C26 C25 -1.0(11) . . . . ?
C33 N4 C27 O4 -0.1(8) . . . . ?
Yb1 N4 C27 O4 166.4(4) . . . . ?
C33 N4 C27 C24 -179.1(7) . . . . ?
Yb1 N4 C27 C24 -12.6(9) . . . . ?
C28 O4 C27 N4 0.9(8) . . . . ?
C28 O4 C27 C24 179.9(6) . . . . ?
N3 C24 C27 N4 2.3(10) . . . . ?
C25 C24 C27 N4 -178.9(7) . . . . ?
N3 C24 C27 O4 -176.6(6) . . . . ?
C25 C24 C27 O4 2.1(11) . . . . ?
C27 O4 C28 C29 178.6(7) . . . . ?
C27 O4 C28 C33 -1.3(7) . . . . ?
O4 C28 C29 C30 -179.0(7) . . . . ?
C33 C28 C29 C30 0.9(11) . . . . ?
C28 C29 C30 C31 -1.4(11) . . . . ?
C28 C29 C30 C34 178.7(7) . . . . ?
C29 C30 C31 C32 2.1(11) . . . . ?
C34 C30 C31 C32 -178.0(7) . . . . ?
C30 C31 C32 C33 -2.1(10) . . . . ?
C31 C32 C33 C28 1.6(10) . . . . ?
C31 C32 C33 N4 178.4(7) . . . . ?
C29 C28 C33 C32 -1.1(11) . . . . ?
O4 C28 C33 C32 178.8(6) . . . . ?
C29 C28 C33 N4 -178.6(7) . . . . ?
O4 C28 C33 N4 1.4(8) . . . . ?
C27 N4 C33 C32 -177.9(8) . . . . ?
Yb1 N4 C33 C32 21.3(12) . . . . ?
C27 N4 C33 C28 -0.8(8) . . . . ?
Yb1 N4 C33 C28 -161.6(5) . . . . ?
Yb1 O5 C35 C36 77.9(8) . . . . ?
Na1 O5 C35 C36 -159.5(6) . . . . ?
Yb1 O5 C35 C40 -101.4(7) . . . . ?
Na1 O5 C35 C40 21.1(7) . . . . ?
O5 C35 C36 C37 -173.1(7) . . . . ?
C40 C35 C36 C37 6.2(10) . . . . ?
C35 C36 C37 C38 -0.5(11) . . . . ?
C36 C37 C38 C39 -2.5(11) . . . . ?
C37 C38 C39 C43 -179.6(7) . . . . ?
C37 C38 C39 C40 -0.6(11) . . . . ?
C41 N5 C40 C39 -2.5(10) . . . . ?
Na1 N5 C40 C39 170.6(5) . . . . ?
C41 N5 C40 C35 174.5(6) . . . . ?
Na1 N5 C40 C35 -12.5(8) . . . . ?
C38 C39 C40 N5 -176.6(7) . . . . ?
C43 C39 C40 N5 2.5(10) . . . . ?
C38 C39 C40 C35 6.6(10) . . . . ?
C43 C39 C40 C35 -174.3(6) . . . . ?
O5 C35 C40 N5 -6.8(9) . . . . ?
C36 C35 C40 N5 173.8(6) . . . . ?
O5 C35 C40 C39 170.2(6) . . . . ?
C36 C35 C40 C39 -9.2(10) . . . . ?
C40 N5 C41 C42 0.2(10) . . . . ?
Na1 N5 C41 C42 -172.6(5) . . . . ?
C40 N5 C41 C44 -178.0(6) . . . . ?
Na1 N5 C41 C44 9.2(8) . . . . ?
N5 C41 C42 C43 1.9(11) . . . . ?
C44 C41 C42 C43 179.9(7) . . . . ?
C41 C42 C43 C39 -1.7(11) . . . . ?
C38 C39 C43 C42 178.7(7) . . . . ?
C40 C39 C43 C42 -0.3(11) . . . . ?
C50 N6 C44 O6 -0.9(8) . . . . ?
Na1 N6 C44 O6 -177.0(5) . . . . ?
C50 N6 C44 C41 172.9(7) . . . . ?
Na1 N6 C44 C41 -3.2(9) . . . . ?
C45 O6 C44 N6 0.7(8) . . . . ?
C45 O6 C44 C41 -173.7(6) . . . . ?
N5 C41 C44 N6 -3.4(11) . . . . ?
C42 C41 C44 N6 178.4(7) . . . . ?
N5 C41 C44 O6 170.3(6) . . . . ?
C42 C41 C44 O6 -7.8(10) . . . . ?
C44 O6 C45 C46 177.8(8) . . . . ?
C44 O6 C45 C50 -0.2(7) . . . . ?
O6 C45 C46 C47 -177.6(7) . . . . ?
C50 C45 C46 C47 0.1(12) . . . . ?
C45 C46 C47 C48 -0.3(11) . . . . ?
C45 C46 C47 C51 -178.7(7) . . . . ?
C46 C47 C48 C49 0.8(12) . . . . ?
C51 C47 C48 C49 179.3(7) . . . . ?
C47 C48 C49 C50 -1.1(11) . . . . ?
C46 C45 C50 C49 -0.4(11) . . . . ?
O6 C45 C50 C49 177.7(6) . . . . ?
C46 C45 C50 N6 -178.4(7) . . . . ?
O6 C45 C50 N6 -0.4(8) . . . . ?
C48 C49 C50 C45 0.9(10) . . . . ?
C48 C49 C50 N6 178.3(7) . . . . ?
C44 N6 C50 C45 0.7(8) . . . . ?
Na1 N6 C50 C45 174.2(6) . . . . ?
C44 N6 C50 C49 -176.9(8) . . . . ?
Na1 N6 C50 C49 -3.5(14) . . . . ?
Yb1 O7 C52 C53 64.2(9) . . . . ?
Na1 O7 C52 C53 -157.7(5) . . . . ?
Yb1 O7 C52 C57 -116.1(6) . . . . ?
Na1 O7 C52 C57 22.0(7) . . . . ?
O7 C52 C53 C54 -177.3(6) . . . . ?
C57 C52 C53 C54 3.0(10) . . . . ?
C52 C53 C54 C55 -1.6(11) . . . . ?
C53 C54 C55 C56 1.0(11) . . . . ?
C54 C55 C56 C60 178.9(7) . . . . ?
C54 C55 C56 C57 -2.1(11) . . . . ?
C58 N7 C57 C56 -1.0(10) . . . . ?
Na1 N7 C57 C56 163.1(5) . . . . ?
C58 N7 C57 C52 179.7(6) . . . . ?
Na1 N7 C57 C52 -16.2(7) . . . . ?
C55 C56 C57 N7 -175.7(7) . . . . ?
C60 C56 C57 N7 3.4(10) . . . . ?
C55 C56 C57 C52 3.6(10) . . . . ?
C60 C56 C57 C52 -177.3(6) . . . . ?
O7 C52 C57 N7 -4.4(9) . . . . ?
C53 C52 C57 N7 175.3(6) . . . . ?
O7 C52 C57 C56 176.3(6) . . . . ?
C53 C52 C57 C56 -4.0(10) . . . . ?
C57 N7 C58 C59 -2.2(10) . . . . ?
Na1 N7 C58 C59 -165.0(5) . . . . ?
C57 N7 C58 C61 175.4(6) . . . . ?
Na1 N7 C58 C61 12.6(8) . . . . ?
N7 C58 C59 C60 2.8(11) . . . . ?
C61 C58 C59 C60 -174.6(7) . . . . ?
C58 C59 C60 C56 -0.2(11) . . . . ?
C55 C56 C60 C59 176.3(7) . . . . ?
C57 C56 C60 C59 -2.7(11) . . . . ?
C67 N8 C61 O8 0.0(8) . . . . ?
Na1 N8 C61 O8 178.7(5) . . . . ?
C67 N8 C61 C58 -179.3(7) . . . . ?
Na1 N8 C61 C58 -0.5(9) . . . . ?
C62 O8 C61 N8 0.0(8) . . . . ?
C62 O8 C61 C58 179.3(6) . . . . ?
N7 C58 C61 N8 -7.2(11) . . . . ?
C59 C58 C61 N8 170.4(7) . . . . ?
N7 C58 C61 O8 173.5(6) . . . . ?
C59 C58 C61 O8 -8.9(10) . . . . ?
C61 O8 C62 C67 0.0(7) . . . . ?
C61 O8 C62 C63 -178.9(7) . . . . ?
O8 C62 C63 C64 178.9(7) . . . . ?
C67 C62 C63 C64 0.1(12) . . . . ?
C62 C63 C64 C65 2.2(11) . . . . ?
C62 C63 C64 C68 -179.0(7) . . . . ?
C63 C64 C65 C66 -2.1(12) . . . . ?
C68 C64 C65 C66 179.1(7) . . . . ?
C64 C65 C66 C67 -0.4(11) . . . . ?
O8 C62 C67 C66 178.3(6) . . . . ?
C63 C62 C67 C66 -2.7(11) . . . . ?
O8 C62 C67 N8 0.0(8) . . . . ?
C63 C62 C67 N8 179.0(7) . . . . ?
C65 C66 C67 C62 2.7(10) . . . . ?
C65 C66 C67 N8 -179.4(7) . . . . ?
C61 N8 C67 C62 0.0(8) . . . . ?
Na1 N8 C67 C62 -177.7(6) . . . . ?
C61 N8 C67 C66 -178.0(8) . . . . ?
Na1 N8 C67 C66 4.3(15) . . . . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.236 -0.257 0.236 1389 471 ' '
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168336787
