#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302953.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_4302953
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         'C64 H32 Cl4 N8 Na O8 Yb, C2 H3 N'
_chemical_formula_sum            'C66 H35 Cl4 N9 Na O8 Yb'
_chemical_formula_weight         1419.86
_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                 101.890(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.762(6)
_cell_length_b                   12.2197(18)
_cell_length_c                   24.255(6)
_cell_measurement_reflns_used    94
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.135
_cell_measurement_theta_min      3.118
_cell_volume                     6312(3)
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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    0.0702
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            12787
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         3.32
_exptl_absorpt_coefficient_mu    1.720
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3807
_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    1.494
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             2828
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_platon_squeeze_details          ' '
_refine_diff_density_max         3.468
_refine_diff_density_min         -2.887
_refine_diff_density_rms         0.230
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         12787
_refine_ls_number_restraints     408
_refine_ls_restrained_S_all      1.152
_refine_ls_R_factor_all          0.1145
_refine_ls_R_factor_gt           0.0840
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0002P)²+1.0237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1833
_refine_ls_wR_factor_ref         0.1977
_reflns_number_gt                9390
_reflns_number_total             12787
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900888m_si_002_1.cif
_cod_data_source_block           Na[Yb(LCl*)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        6312(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4302953
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 0.164991(19) 0.27286(3) -0.000441(17) 0.01461(12) Uani 1 1 d . . .
Na1 Na 0.31711(17) 0.2806(3) -0.03205(16) 0.0194(8) Uani 1 1 d . . .
Cl1 Cl 0.42275(12) 0.6939(2) 0.17826(11) 0.0270(6) Uani 1 1 d . . .
Cl2 Cl 0.30732(13) -0.0219(2) -0.25310(11) 0.0326(6) Uani 1 1 d . . .
Cl3 Cl 0.65835(14) 0.3738(3) 0.18644(13) 0.0448(8) Uani 1 1 d . . .
Cl4 Cl 0.51011(13) 0.0672(3) -0.28296(11) 0.0360(7) Uani 1 1 d . . .
O1 O 0.0717(3) 0.2314(5) -0.0565(3) 0.0200(14) Uani 1 1 d . . .
O2 O 0.2010(3) 0.6350(5) 0.0545(3) 0.0156(13) Uani 1 1 d . . .
O3 O 0.1254(3) 0.2672(5) 0.0792(3) 0.0172(13) Uani 1 1 d . . .
O4 O 0.2295(3) -0.0565(5) -0.0656(3) 0.0166(13) Uani 1 1 d . . .
O5 O 0.2081(3) 0.3520(5) -0.0679(3) 0.0169(14) Uani 1 1 d . . .
O6 O 0.4638(3) 0.5340(5) 0.0521(3) 0.0246(16) Uani 1 1 d . . .
O7 O 0.2642(3) 0.2308(5) 0.0418(3) 0.0149(12) Uani 1 1 d . . .
O8 O 0.4377(3) 0.0042(6) -0.0954(3) 0.0208(14) Uani 1 1 d . . .
N1 N 0.0961(3) 0.4342(6) -0.0201(3) 0.0135(15) Uani 1 1 d . . .
N2 N 0.2075(3) 0.4505(6) 0.0498(3) 0.0127(15) Uani 1 1 d . . .
N3 N 0.1588(4) 0.0838(6) 0.0350(3) 0.0182(17) Uani 1 1 d . . .
N4 N 0.1968(3) 0.1183(6) -0.0630(4) 0.0166(17) Uani 1 1 d . . .
N5 N 0.3127(3) 0.4769(6) -0.0330(3) 0.0165(16) Uani 1 1 d . . .
N6 N 0.4173(3) 0.3706(7) 0.0266(3) 0.0192(17) Uani 1 1 d . . .
N7 N 0.3484(3) 0.1025(6) 0.0043(3) 0.0154(16) Uani 1 1 d . . .
N8 N 0.3862(4) 0.1673(6) -0.0950(3) 0.0216(18) Uani 1 1 d . . .
C1 C 0.0267(4) 0.3050(8) -0.0749(4) 0.0185(18) Uani 1 1 d U . .
C2 C -0.0299(4) 0.2855(8) -0.1107(4) 0.0187(18) Uani 1 1 d U . .
H2 H -0.0406 0.2132 -0.1236 0.022 Uiso 1 1 calc R . .
C3 C -0.0723(4) 0.3723(8) -0.1285(4) 0.0212(19) Uani 1 1 d U . .
H3 H -0.1108 0.3563 -0.1538 0.025 Uiso 1 1 calc R . .
C4 C -0.0607(4) 0.4785(8) -0.1110(4) 0.0167(17) Uani 1 1 d U . .
H4 H -0.0909 0.5341 -0.1231 0.020 Uiso 1 1 calc R . .
C5 C -0.0027(4) 0.5037(8) -0.0747(4) 0.0158(16) Uani 1 1 d U . .
C6 C 0.0405(4) 0.4172(7) -0.0559(4) 0.0130(16) Uani 1 1 d U . .
C7 C 0.1111(4) 0.5351(7) -0.0030(4) 0.0138(16) Uani 1 1 d U . .
C8 C 0.0736(4) 0.6271(8) -0.0200(4) 0.0188(18) Uani 1 1 d U . .
H8 H 0.0873 0.6983 -0.0073 0.023 Uiso 1 1 calc R . .
C9 C 0.0165(4) 0.6113(8) -0.0555(4) 0.0172(17) Uani 1 1 d U . .
H9 H -0.0103 0.6720 -0.0673 0.021 Uiso 1 1 calc R . .
C10 C 0.1733(4) 0.5377(7) 0.0345(4) 0.0143(17) Uani 1 1 d U . .
C11 C 0.2584(4) 0.6043(7) 0.0866(4) 0.0176(18) Uani 1 1 d U . .
C12 C 0.3054(5) 0.6720(8) 0.1155(4) 0.0234(19) Uani 1 1 d U . .
H12 H 0.3016 0.7494 0.1163 0.028 Uiso 1 1 calc R . .
C13 C 0.3575(4) 0.6175(8) 0.1427(4) 0.0202(18) Uani 1 1 d U . .
C14 C 0.3642(5) 0.5035(8) 0.1444(4) 0.0207(19) Uani 1 1 d U . .
H14 H 0.4012 0.4713 0.1659 0.025 Uiso 1 1 calc R . .
C15 C 0.3163(4) 0.4369(8) 0.1146(4) 0.0187(18) Uani 1 1 d U . .
H15 H 0.3201 0.3595 0.1145 0.022 Uiso 1 1 calc R . .
C16 C 0.2629(4) 0.4902(7) 0.0849(4) 0.0161(17) Uani 1 1 d U . .
C17 C 0.1219(4) 0.1754(8) 0.1078(4) 0.0201(18) Uani 1 1 d U . .
C18 C 0.1019(5) 0.1668(8) 0.1587(4) 0.0212(19) Uani 1 1 d U . .
H18 H 0.0866 0.2301 0.1742 0.025 Uiso 1 1 calc R . .
C19 C 0.1039(5) 0.0666(9) 0.1875(4) 0.027(2) Uani 1 1 d U . .
H19 H 0.0896 0.0642 0.2220 0.032 Uiso 1 1 calc R . .
C20 C 0.1258(5) -0.0285(9) 0.1675(4) 0.026(2) Uani 1 1 d U . .
H20 H 0.1281 -0.0943 0.1886 0.031 Uiso 1 1 calc R . .
C21 C 0.1449(4) -0.0268(7) 0.1148(4) 0.0188(17) Uani 1 1 d U . .
C22 C 0.1408(4) 0.0754(7) 0.0853(4) 0.0171(17) Uani 1 1 d U . .
C23 C 0.1823(4) -0.0028(7) 0.0136(4) 0.0154(17) Uani 1 1 d U . .
C24 C 0.1875(5) -0.1068(7) 0.0390(4) 0.0187(18) Uani 1 1 d U . .
H24 H 0.2035 -0.1674 0.0219 0.022 Uiso 1 1 calc R . .
C25 C 0.1688(4) -0.1177(8) 0.0893(4) 0.0214(19) Uani 1 1 d U . .
H25 H 0.1719 -0.1870 0.1074 0.026 Uiso 1 1 calc R . .
C26 C 0.2013(4) 0.0232(7) -0.0397(4) 0.0124(17) Uani 1 1 d U . .
C27 C 0.2410(5) -0.0035(8) -0.1134(4) 0.0207(18) Uani 1 1 d U . .
C28 C 0.2686(5) -0.0485(8) -0.1543(4) 0.0227(19) Uani 1 1 d U . .
H28 H 0.2821 -0.1226 -0.1536 0.027 Uiso 1 1 calc R . .
C29 C 0.2752(5) 0.0246(9) -0.1972(4) 0.0228(19) Uani 1 1 d U . .
C30 C 0.2570(4) 0.1354(8) -0.1971(4) 0.0209(18) Uani 1 1 d U . .
H30 H 0.2633 0.1823 -0.2266 0.025 Uiso 1 1 calc R . .
C31 C 0.2302(4) 0.1765(8) -0.1545(4) 0.0189(18) Uani 1 1 d U . .
H31 H 0.2175 0.2508 -0.1542 0.023 Uiso 1 1 calc R . .
C32 C 0.2226(4) 0.1043(8) -0.1119(4) 0.0171(17) Uani 1 1 d U . .
C33 C 0.2066(4) 0.4571(7) -0.0840(4) 0.0169(17) Uani 1 1 d U . .
C34 C 0.1558(4) 0.5038(8) -0.1200(4) 0.0165(17) Uani 1 1 d U . .
H34 H 0.1222 0.4585 -0.1380 0.020 Uiso 1 1 calc R . .
C35 C 0.1531(5) 0.6177(8) -0.1306(4) 0.0192(18) Uani 1 1 d U . .
H35 H 0.1166 0.6477 -0.1541 0.023 Uiso 1 1 calc R . .
C36 C 0.2014(4) 0.6850(8) -0.1079(4) 0.0203(18) Uani 1 1 d U . .
H36 H 0.1983 0.7614 -0.1153 0.024 Uiso 1 1 calc R . .
C37 C 0.2563(4) 0.6416(7) -0.0732(4) 0.0171(17) Uani 1 1 d U . .
C38 C 0.2595(4) 0.5259(7) -0.0634(4) 0.0169(17) Uani 1 1 d U . .
C39 C 0.3609(5) 0.5378(8) -0.0103(4) 0.0197(18) Uani 1 1 d U . .
C40 C 0.3611(5) 0.6537(8) -0.0154(4) 0.0231(19) Uani 1 1 d U . .
H40 H 0.3966 0.6952 0.0024 0.028 Uiso 1 1 calc R . .
C41 C 0.3087(5) 0.7050(8) -0.0466(4) 0.024(2) Uani 1 1 d U . .
H41 H 0.3077 0.7824 -0.0503 0.029 Uiso 1 1 calc R . .
C42 C 0.4140(4) 0.4768(8) 0.0216(4) 0.0189(19) Uani 1 1 d U . .
C43 C 0.5018(5) 0.4524(9) 0.0796(4) 0.0236(19) Uani 1 1 d U . .
C44 C 0.5592(5) 0.4649(9) 0.1174(4) 0.027(2) Uani 1 1 d U . .
H44 H 0.5775 0.5345 0.1277 0.033 Uiso 1 1 calc R . .
C45 C 0.5875(5) 0.3674(10) 0.1388(4) 0.029(2) Uani 1 1 d U . .
C46 C 0.5607(5) 0.2648(10) 0.1247(5) 0.033(2) Uani 1 1 d U . .
H46 H 0.5816 0.2011 0.1415 0.039 Uiso 1 1 calc R . .
C47 C 0.5040(4) 0.2543(9) 0.0865(4) 0.025(2) Uani 1 1 d U . .
H47 H 0.4864 0.1844 0.0758 0.030 Uiso 1 1 calc R . .
C48 C 0.4737(4) 0.3510(9) 0.0642(4) 0.0211(19) Uani 1 1 d U . .
C49 C 0.2925(4) 0.1533(7) 0.0757(4) 0.0182(18) Uani 1 1 d U . .
C50 C 0.2860(4) 0.1383(7) 0.1312(4) 0.0176(17) Uani 1 1 d U . .
H50 H 0.2602 0.1875 0.1466 0.021 Uiso 1 1 calc R . .
C51 C 0.3163(5) 0.0531(8) 0.1653(4) 0.0216(19) Uani 1 1 d U . .
H51 H 0.3104 0.0460 0.2028 0.026 Uiso 1 1 calc R . .
C52 C 0.3547(4) -0.0204(8) 0.1451(4) 0.0195(18) Uani 1 1 d U . .
H52 H 0.3734 -0.0793 0.1682 0.023 Uiso 1 1 calc R . .
C53 C 0.3659(4) -0.0082(7) 0.0905(4) 0.0144(16) Uani 1 1 d U . .
C54 C 0.3370(4) 0.0805(7) 0.0559(4) 0.0122(16) Uani 1 1 d U . .
C55 C 0.3887(4) 0.0376(7) -0.0153(4) 0.0168(17) Uani 1 1 d U . .
C56 C 0.4180(5) -0.0568(8) 0.0140(4) 0.0221(19) Uani 1 1 d U . .
H56 H 0.4445 -0.1034 -0.0021 0.027 Uiso 1 1 calc R . .
C57 C 0.4060(4) -0.0764(8) 0.0661(4) 0.0197(18) Uani 1 1 d U . .
H57 H 0.4251 -0.1379 0.0868 0.024 Uiso 1 1 calc R . .
C58 C 0.4037(4) 0.0744(8) -0.0695(4) 0.0169(18) Uani 1 1 d U . .
C59 C 0.4437(5) 0.0611(9) -0.1433(4) 0.0235(19) Uani 1 1 d U . .
C60 C 0.4756(5) 0.0280(9) -0.1841(4) 0.0238(19) Uani 1 1 d U . .
H60 H 0.4980 -0.0391 -0.1821 0.029 Uiso 1 1 calc R . .
C61 C 0.4721(5) 0.1024(9) -0.2285(4) 0.025(2) Uani 1 1 d U . .
C62 C 0.4405(5) 0.2036(9) -0.2307(4) 0.026(2) Uani 1 1 d U . .
H62 H 0.4404 0.2520 -0.2613 0.032 Uiso 1 1 calc R . .
C63 C 0.4095(5) 0.2328(9) -0.1881(4) 0.0236(19) Uani 1 1 d U . .
H63 H 0.3872 0.3000 -0.1895 0.028 Uiso 1 1 calc R . .
C64 C 0.4122(4) 0.1602(8) -0.1431(4) 0.0208(18) Uani 1 1 d U . .
C65 C 0.2907(6) 0.8791(11) 0.2881(6) 0.046(3) Uani 1 1 d U . .
H65A H 0.3018 0.8522 0.3269 0.069 Uiso 1 1 calc R . .
H65B H 0.2639 0.9440 0.2866 0.069 Uiso 1 1 calc R . .
H65C H 0.3290 0.8982 0.2750 0.069 Uiso 1 1 calc R . .
C66 C 0.2561(6) 0.7921(13) 0.2511(5) 0.041(3) Uani 1 1 d U . .
N9 N 0.2311(6) 0.7252(12) 0.2228(5) 0.057(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'
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'
Cl Cl 0.1484 0.1585 '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
O7 Yb1 O1 152.0(2) . . ?
O7 Yb1 O5 85.7(2) . . ?
O1 Yb1 O5 96.7(2) . . ?
O7 Yb1 O3 95.8(2) . . ?
O1 Yb1 O3 93.1(2) . . ?
O5 Yb1 O3 156.0(2) . . ?
O7 Yb1 N1 139.4(2) . . ?
O1 Yb1 N1 68.1(2) . . ?
O5 Yb1 N1 81.0(2) . . ?
O3 Yb1 N1 82.4(2) . . ?
O7 Yb1 N3 75.2(2) . . ?
O1 Yb1 N3 83.9(2) . . ?
O5 Yb1 N3 135.2(2) . . ?
O3 Yb1 N3 67.6(2) . . ?
N1 Yb1 N3 137.7(3) . . ?
O7 Yb1 N2 76.0(2) . . ?
O1 Yb1 N2 131.9(2) . . ?
O5 Yb1 N2 79.6(2) . . ?
O3 Yb1 N2 77.6(2) . . ?
N1 Yb1 N2 63.9(2) . . ?
N3 Yb1 N2 131.6(2) . . ?
O7 Yb1 N4 75.8(2) . . ?
O1 Yb1 N4 78.5(2) . . ?
O5 Yb1 N4 71.9(2) . . ?
O3 Yb1 N4 131.8(2) . . ?
N1 Yb1 N4 133.8(2) . . ?
N3 Yb1 N4 64.3(3) . . ?
N2 Yb1 N4 141.0(2) . . ?
O7 Yb1 C17 87.5(2) . . ?
O1 Yb1 C17 91.8(2) . . ?
O5 Yb1 C17 171.4(2) . . ?
O3 Yb1 C17 20.5(2) . . ?
N1 Yb1 C17 100.8(2) . . ?
N3 Yb1 C17 47.3(3) . . ?
N2 Yb1 C17 93.6(2) . . ?
N4 Yb1 C17 111.5(2) . . ?
O7 Yb1 C1 171.1(2) . . ?
O1 Yb1 C1 20.3(2) . . ?
O5 Yb1 C1 91.2(2) . . ?
O3 Yb1 C1 90.4(2) . . ?
N1 Yb1 C1 47.8(2) . . ?
N3 Yb1 C1 101.4(2) . . ?
N2 Yb1 C1 111.7(2) . . ?
N4 Yb1 C1 95.3(2) . . ?
C17 Yb1 C1 96.2(2) . . ?
O7 Yb1 Na1 41.81(17) . . ?
O1 Yb1 Na1 129.73(18) . . ?
O5 Yb1 Na1 44.66(17) . . ?
O3 Yb1 Na1 135.88(17) . . ?
N1 Yb1 Na1 119.59(18) . . ?
N3 Yb1 Na1 102.68(19) . . ?
N2 Yb1 Na1 79.57(17) . . ?
N4 Yb1 Na1 61.42(17) . . ?
C17 Yb1 Na1 129.20(18) . . ?
C1 Yb1 Na1 133.28(18) . . ?
N7 Na1 O7 68.8(3) . . ?
N7 Na1 N5 156.9(3) . . ?
O7 Na1 N5 103.6(3) . . ?
N7 Na1 O5 128.4(3) . . ?
O7 Na1 O5 77.4(2) . . ?
N5 Na1 O5 67.4(2) . . ?
N7 Na1 N6 92.3(3) . . ?
O7 Na1 N6 100.2(3) . . ?
N5 Na1 N6 66.9(3) . . ?
O5 Na1 N6 132.2(3) . . ?
N7 Na1 N8 66.2(3) . . ?
O7 Na1 N8 133.9(3) . . ?
N5 Na1 N8 121.8(3) . . ?
O5 Na1 N8 125.0(3) . . ?
N6 Na1 N8 91.4(3) . . ?
N7 Na1 Yb1 96.0(2) . . ?
O7 Na1 Yb1 38.71(15) . . ?
N5 Na1 Yb1 89.5(2) . . ?
O5 Na1 Yb1 39.35(15) . . ?
N6 Na1 Yb1 127.6(2) . . ?
N8 Na1 Yb1 138.8(2) . . ?
C1 O1 Yb1 123.8(6) . . ?
C10 O2 C11 104.1(7) . . ?
C17 O3 Yb1 122.8(6) . . ?
C26 O4 C27 103.0(7) . . ?
C33 O5 Yb1 129.1(6) . . ?
C33 O5 Na1 113.5(6) . . ?
Yb1 O5 Na1 96.0(2) . . ?
C42 O6 C43 102.8(7) . . ?
C49 O7 Yb1 136.7(6) . . ?
C49 O7 Na1 114.4(6) . . ?
Yb1 O7 Na1 99.5(2) . . ?
C58 O8 C59 103.0(7) . . ?
C7 N1 C6 118.4(8) . . ?
C7 N1 Yb1 125.8(6) . . ?
C6 N1 Yb1 115.4(5) . . ?
C10 N2 C16 104.8(7) . . ?
C10 N2 Yb1 115.2(6) . . ?
C16 N2 Yb1 139.2(6) . . ?
C23 N3 C22 119.8(8) . . ?
C23 N3 Yb1 123.7(6) . . ?
C22 N3 Yb1 115.3(6) . . ?
C26 N4 C32 104.4(7) . . ?
C26 N4 Yb1 113.8(6) . . ?
C32 N4 Yb1 140.5(6) . . ?
C39 N5 C38 119.3(8) . . ?
C39 N5 Na1 122.4(6) . . ?
C38 N5 Na1 117.9(6) . . ?
C42 N6 C48 104.9(8) . . ?
C42 N6 Na1 110.3(6) . . ?
C48 N6 Na1 144.7(7) . . ?
C55 N7 C54 118.0(8) . . ?
C55 N7 Na1 124.5(6) . . ?
C54 N7 Na1 115.3(6) . . ?
C58 N8 C64 102.2(8) . . ?
C58 N8 Na1 108.4(6) . . ?
C64 N8 Na1 149.4(6) . . ?
O1 C1 C2 126.4(9) . . ?
O1 C1 C6 116.0(8) . . ?
C2 C1 C6 117.5(8) . . ?
C2 C1 Yb1 162.2(7) . . ?
C6 C1 Yb1 80.1(5) . . ?
C1 C2 C3 120.5(9) . . ?
C1 C2 H2 119.7 . . ?
C3 C2 H2 119.7 . . ?
C4 C3 C2 123.1(9) . . ?
C4 C3 H3 118.4 . . ?
C2 C3 H3 118.4 . . ?
C3 C4 C5 118.8(9) . . ?
C3 C4 H4 120.6 . . ?
C5 C4 H4 120.6 . . ?
C4 C5 C6 118.8(8) . . ?
C4 C5 C9 124.5(8) . . ?
C6 C5 C9 116.7(8) . . ?
N1 C6 C5 122.4(8) . . ?
N1 C6 C1 116.5(8) . . ?
C5 C6 C1 121.1(8) . . ?
N1 C7 C8 124.5(8) . . ?
N1 C7 C10 110.6(8) . . ?
C8 C7 C10 124.9(8) . . ?
C9 C8 C7 118.0(9) . . ?
C9 C8 H8 121.0 . . ?
C7 C8 H8 121.0 . . ?
C8 C9 C5 120.0(8) . . ?
C8 C9 H9 120.0 . . ?
C5 C9 H9 120.0 . . ?
N2 C10 O2 115.0(8) . . ?
N2 C10 C7 123.7(8) . . ?
O2 C10 C7 121.2(8) . . ?
O2 C11 C12 127.6(8) . . ?
O2 C11 C16 108.3(8) . . ?
C12 C11 C16 124.1(9) . . ?
C13 C12 C11 113.9(9) . . ?
C13 C12 H12 123.0 . . ?
C11 C12 H12 123.0 . . ?
C12 C13 C14 124.9(9) . . ?
C12 C13 Cl1 118.8(8) . . ?
C14 C13 Cl1 116.3(7) . . ?
C15 C14 C13 120.1(9) . . ?
C15 C14 H14 119.9 . . ?
C13 C14 H14 119.9 . . ?
C16 C15 C14 116.6(9) . . ?
C16 C15 H15 121.7 . . ?
C14 C15 H15 121.7 . . ?
C15 C16 C11 120.3(9) . . ?
C15 C16 N2 131.9(8) . . ?
C11 C16 N2 107.8(8) . . ?
O3 C17 C18 125.9(9) . . ?
O3 C17 C22 118.0(8) . . ?
C18 C17 C22 116.1(9) . . ?
C18 C17 Yb1 162.4(7) . . ?
C22 C17 Yb1 81.3(6) . . ?
C17 C18 C19 121.5(9) . . ?
C17 C18 H18 119.3 . . ?
C19 C18 H18 119.3 . . ?
C20 C19 C18 122.3(9) . . ?
C20 C19 H19 118.9 . . ?
C18 C19 H19 118.9 . . ?
C19 C20 C21 119.4(9) . . ?
C19 C20 H20 120.3 . . ?
C21 C20 H20 120.3 . . ?
C25 C21 C20 125.6(9) . . ?
C25 C21 C22 117.0(9) . . ?
C20 C21 C22 117.5(9) . . ?
N3 C22 C17 115.8(8) . . ?
N3 C22 C21 120.9(8) . . ?
C17 C22 C21 123.1(9) . . ?
N3 C23 C24 123.5(8) . . ?
N3 C23 C26 111.9(8) . . ?
C24 C23 C26 124.7(8) . . ?
C25 C24 C23 117.8(9) . . ?
C25 C24 H24 121.1 . . ?
C23 C24 H24 121.1 . . ?
C24 C25 C21 121.0(9) . . ?
C24 C25 H25 119.5 . . ?
C21 C25 H25 119.5 . . ?
N4 C26 O4 116.1(8) . . ?
N4 C26 C23 124.8(8) . . ?
O4 C26 C23 118.9(8) . . ?
C28 C27 C32 124.9(10) . . ?
C28 C27 O4 126.4(9) . . ?
C32 C27 O4 108.6(8) . . ?
C27 C28 C29 114.1(9) . . ?
C27 C28 H28 123.0 . . ?
C29 C28 H28 123.0 . . ?
C28 C29 C30 122.5(9) . . ?
C28 C29 Cl2 119.2(8) . . ?
C30 C29 Cl2 118.2(8) . . ?
C31 C30 C29 120.9(9) . . ?
C31 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C30 C31 C32 117.2(9) . . ?
C30 C31 H31 121.4 . . ?
C32 C31 H31 121.4 . . ?
C27 C32 C31 120.4(9) . . ?
C27 C32 N4 107.7(8) . . ?
C31 C32 N4 131.9(9) . . ?
O5 C33 C34 123.3(9) . . ?
O5 C33 C38 119.4(8) . . ?
C34 C33 C38 117.3(8) . . ?
C33 C34 C35 121.3(9) . . ?
C33 C34 H34 119.3 . . ?
C35 C34 H34 119.3 . . ?
C36 C35 C34 121.4(9) . . ?
C36 C35 H35 119.3 . . ?
C34 C35 H35 119.3 . . ?
C35 C36 C37 120.2(9) . . ?
C35 C36 H36 119.9 . . ?
C37 C36 H36 119.9 . . ?
C36 C37 C41 124.5(9) . . ?
C36 C37 C38 118.3(9) . . ?
C41 C37 C38 117.2(9) . . ?
N5 C38 C33 117.4(8) . . ?
N5 C38 C37 121.7(9) . . ?
C33 C38 C37 120.9(8) . . ?
N5 C39 C40 123.1(9) . . ?
N5 C39 C42 114.2(8) . . ?
C40 C39 C42 122.7(9) . . ?
C41 C40 C39 118.9(9) . . ?
C41 C40 H40 120.6 . . ?
C39 C40 H40 120.6 . . ?
C40 C41 C37 119.7(9) . . ?
C40 C41 H41 120.1 . . ?
C37 C41 H41 120.1 . . ?
N6 C42 O6 115.7(8) . . ?
N6 C42 C39 125.6(9) . . ?
O6 C42 C39 118.5(8) . . ?
O6 C43 C44 127.3(10) . . ?
O6 C43 C48 109.1(8) . . ?
C44 C43 C48 123.7(10) . . ?
C45 C44 C43 114.7(10) . . ?
C45 C44 H44 122.6 . . ?
C43 C44 H44 122.6 . . ?
C44 C45 C46 123.2(10) . . ?
C44 C45 Cl3 118.4(9) . . ?
C46 C45 Cl3 118.4(8) . . ?
C47 C46 C45 121.1(10) . . ?
C47 C46 H46 119.4 . . ?
C45 C46 H46 119.4 . . ?
C46 C47 C48 117.4(10) . . ?
C46 C47 H47 121.3 . . ?
C48 C47 H47 121.3 . . ?
N6 C48 C43 107.5(9) . . ?
N6 C48 C47 132.6(9) . . ?
C43 C48 C47 119.9(9) . . ?
O7 C49 C50 124.7(8) . . ?
O7 C49 C54 119.0(8) . . ?
C50 C49 C54 116.2(8) . . ?
C49 C50 C51 122.4(9) . . ?
C49 C50 H50 118.8 . . ?
C51 C50 H50 118.8 . . ?
C52 C51 C50 121.2(9) . . ?
C52 C51 H51 119.4 . . ?
C50 C51 H51 119.4 . . ?
C51 C52 C53 120.0(9) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C57 124.9(9) . . ?
C52 C53 C54 119.5(8) . . ?
C57 C53 C54 115.6(8) . . ?
N7 C54 C53 123.3(8) . . ?
N7 C54 C49 116.3(8) . . ?
C53 C54 C49 120.4(8) . . ?
N7 C55 C56 123.9(9) . . ?
N7 C55 C58 114.4(8) . . ?
C56 C55 C58 121.7(8) . . ?
C57 C56 C55 116.8(9) . . ?
C57 C56 H56 121.6 . . ?
C55 C56 H56 121.6 . . ?
C56 C57 C53 122.3(9) . . ?
C56 C57 H57 118.9 . . ?
C53 C57 H57 118.9 . . ?
N8 C58 O8 117.3(8) . . ?
N8 C58 C55 125.7(8) . . ?
O8 C58 C55 117.0(8) . . ?
C60 C59 O8 127.1(9) . . ?
C60 C59 C64 125.3(10) . . ?
O8 C59 C64 107.6(8) . . ?
C59 C60 C61 113.9(10) . . ?
C59 C60 H60 123.0 . . ?
C61 C60 H60 123.0 . . ?
C60 C61 C62 123.2(9) . . ?
C60 C61 Cl4 117.5(8) . . ?
C62 C61 Cl4 119.3(8) . . ?
C63 C62 C61 120.3(10) . . ?
C63 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C62 C63 C64 117.9(10) . . ?
C62 C63 H63 121.1 . . ?
C64 C63 H63 121.1 . . ?
C59 C64 C63 119.4(9) . . ?
C59 C64 N8 109.9(9) . . ?
C63 C64 N8 130.6(9) . . ?
C66 C65 H65A 109.5 . . ?
C66 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C66 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
N9 C66 C65 178.5(14) . . ?
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 O7 2.251(6) . ?
Yb1 O1 2.256(6) . ?
Yb1 O5 2.263(6) . ?
Yb1 O3 2.272(6) . ?
Yb1 N1 2.463(7) . ?
Yb1 N3 2.478(7) . ?
Yb1 N2 2.566(7) . ?
Yb1 N4 2.604(8) . ?
Yb1 C17 3.194(10) . ?
Yb1 C1 3.199(9) . ?
Yb1 Na1 3.550(4) . ?
Na1 N7 2.395(8) . ?
Na1 O7 2.399(7) . ?
Na1 N5 2.400(8) . ?
Na1 O5 2.509(7) . ?
Na1 N6 2.590(9) . ?
Na1 N8 2.731(9) . ?
Cl1 C13 1.768(10) . ?
Cl2 C29 1.743(9) . ?
Cl3 C45 1.728(11) . ?
Cl4 C61 1.751(10) . ?
O1 C1 1.337(11) . ?
O2 C10 1.375(11) . ?
O2 C11 1.381(11) . ?
O3 C17 1.329(11) . ?
O4 C26 1.371(10) . ?
O4 C27 1.393(12) . ?
O5 C33 1.340(11) . ?
O6 C42 1.372(12) . ?
O6 C43 1.377(12) . ?
O7 C49 1.320(11) . ?
O8 C58 1.367(11) . ?
O8 C59 1.383(12) . ?
N1 C7 1.319(11) . ?
N1 C6 1.353(11) . ?
N2 C10 1.309(12) . ?
N2 C16 1.411(11) . ?
N3 C23 1.326(12) . ?
N3 C22 1.361(12) . ?
N4 C26 1.288(11) . ?
N4 C32 1.422(12) . ?
N5 C39 1.311(12) . ?
N5 C38 1.374(12) . ?
N6 C42 1.303(13) . ?
N6 C48 1.392(12) . ?
N7 C55 1.338(11) . ?
N7 C54 1.353(11) . ?
N8 C58 1.310(12) . ?
N8 C64 1.401(12) . ?
C1 C2 1.373(13) . ?
C1 C6 1.458(13) . ?
C2 C3 1.414(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.372(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.416(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.424(12) . ?
C5 C9 1.429(13) . ?
C7 C8 1.400(13) . ?
C7 C10 1.468(12) . ?
C8 C9 1.372(13) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C11 C12 1.388(13) . ?
C11 C16 1.398(12) . ?
C12 C13 1.363(14) . ?
C12 H12 0.9500 . ?
C13 C14 1.400(14) . ?
C14 C15 1.399(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.397(13) . ?
C15 H15 0.9500 . ?
C17 C18 1.395(14) . ?
C17 C22 1.432(13) . ?
C18 C19 1.407(14) . ?
C18 H18 0.9500 . ?
C19 C20 1.382(14) . ?
C19 H19 0.9500 . ?
C20 C21 1.422(13) . ?
C20 H20 0.9500 . ?
C21 C25 1.421(13) . ?
C21 C22 1.434(12) . ?
C23 C24 1.408(12) . ?
C23 C26 1.471(12) . ?
C24 C25 1.368(14) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C27 C28 1.378(13) . ?
C27 C32 1.379(13) . ?
C28 C29 1.401(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.411(14) . ?
C30 C31 1.381(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.395(13) . ?
C31 H31 0.9500 . ?
C33 C34 1.382(13) . ?
C33 C38 1.431(13) . ?
C34 C35 1.414(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.360(14) . ?
C35 H35 0.9500 . ?
C36 C37 1.416(13) . ?
C36 H36 0.9500 . ?
C37 C41 1.417(14) . ?
C37 C38 1.434(12) . ?
C39 C40 1.421(13) . ?
C39 C42 1.456(13) . ?
C40 C41 1.383(14) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C43 C44 1.397(14) . ?
C43 C48 1.398(15) . ?
C44 C45 1.392(16) . ?
C44 H44 0.9500 . ?
C45 C46 1.395(17) . ?
C46 C47 1.387(14) . ?
C46 H46 0.9500 . ?
C47 C48 1.406(14) . ?
C47 H47 0.9500 . ?
C49 C50 1.394(13) . ?
C49 C54 1.468(12) . ?
C50 C51 1.406(13) . ?
C50 H50 0.9500 . ?
C51 C52 1.383(14) . ?
C51 H51 0.9500 . ?
C52 C53 1.404(13) . ?
C52 H52 0.9500 . ?
C53 C57 1.421(12) . ?
C53 C54 1.434(12) . ?
C55 C56 1.434(13) . ?
C55 C58 1.489(13) . ?
C56 C57 1.362(14) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C59 C60 1.381(13) . ?
C59 C64 1.392(14) . ?
C60 C61 1.399(15) . ?
C60 H60 0.9500 . ?
C61 C62 1.411(15) . ?
C62 C63 1.391(14) . ?
C62 H62 0.9500 . ?
C63 C64 1.399(14) . ?
C63 H63 0.9500 . ?
C65 C66 1.49(2) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 N9 1.132(18) . ?
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
O7 Yb1 Na1 N7 44.7(3) . . . . ?
O1 Yb1 Na1 N7 -97.8(3) . . . . ?
O5 Yb1 Na1 N7 -149.0(3) . . . . ?
O3 Yb1 Na1 N7 65.6(3) . . . . ?
N1 Yb1 Na1 N7 177.1(3) . . . . ?
N3 Yb1 Na1 N7 -5.2(3) . . . . ?
N2 Yb1 Na1 N7 125.4(3) . . . . ?
N4 Yb1 Na1 N7 -56.3(3) . . . . ?
C17 Yb1 Na1 N7 39.2(3) . . . . ?
C1 Yb1 Na1 N7 -124.6(3) . . . . ?
O1 Yb1 Na1 O7 -142.5(3) . . . . ?
O5 Yb1 Na1 O7 166.3(3) . . . . ?
O3 Yb1 Na1 O7 20.9(3) . . . . ?
N1 Yb1 Na1 O7 132.4(3) . . . . ?
N3 Yb1 Na1 O7 -49.9(3) . . . . ?
N2 Yb1 Na1 O7 80.7(3) . . . . ?
N4 Yb1 Na1 O7 -101.0(3) . . . . ?
C17 Yb1 Na1 O7 -5.5(3) . . . . ?
C1 Yb1 Na1 O7 -169.3(3) . . . . ?
O7 Yb1 Na1 N5 -112.8(3) . . . . ?
O1 Yb1 Na1 N5 104.7(3) . . . . ?
O5 Yb1 Na1 N5 53.5(3) . . . . ?
O3 Yb1 Na1 N5 -91.9(3) . . . . ?
N1 Yb1 Na1 N5 19.6(3) . . . . ?
N3 Yb1 Na1 N5 -162.7(3) . . . . ?
N2 Yb1 Na1 N5 -32.2(3) . . . . ?
N4 Yb1 Na1 N5 146.2(3) . . . . ?
C17 Yb1 Na1 N5 -118.3(3) . . . . ?
C1 Yb1 Na1 N5 77.8(3) . . . . ?
O7 Yb1 Na1 O5 -166.3(3) . . . . ?
O1 Yb1 Na1 O5 51.2(3) . . . . ?
O3 Yb1 Na1 O5 -145.4(3) . . . . ?
N1 Yb1 Na1 O5 -33.9(3) . . . . ?
N3 Yb1 Na1 O5 143.8(3) . . . . ?
N2 Yb1 Na1 O5 -85.6(3) . . . . ?
N4 Yb1 Na1 O5 92.7(3) . . . . ?
C17 Yb1 Na1 O5 -171.8(3) . . . . ?
C1 Yb1 Na1 O5 24.4(3) . . . . ?
O7 Yb1 Na1 N6 -52.9(3) . . . . ?
O1 Yb1 Na1 N6 164.6(3) . . . . ?
O5 Yb1 Na1 N6 113.4(4) . . . . ?
O3 Yb1 Na1 N6 -31.9(4) . . . . ?
N1 Yb1 Na1 N6 79.6(3) . . . . ?
N3 Yb1 Na1 N6 -102.8(3) . . . . ?
N2 Yb1 Na1 N6 27.8(3) . . . . ?
N4 Yb1 Na1 N6 -153.8(3) . . . . ?
C17 Yb1 Na1 N6 -58.4(4) . . . . ?
C1 Yb1 Na1 N6 137.8(3) . . . . ?
O7 Yb1 Na1 N8 104.9(4) . . . . ?
O1 Yb1 Na1 N8 -37.6(4) . . . . ?
O5 Yb1 Na1 N8 -88.8(4) . . . . ?
O3 Yb1 Na1 N8 125.8(4) . . . . ?
N1 Yb1 Na1 N8 -122.7(4) . . . . ?
N3 Yb1 Na1 N8 55.0(4) . . . . ?
N2 Yb1 Na1 N8 -174.5(4) . . . . ?
N4 Yb1 Na1 N8 3.9(4) . . . . ?
C17 Yb1 Na1 N8 99.4(4) . . . . ?
C1 Yb1 Na1 N8 -64.4(4) . . . . ?
O7 Yb1 O1 C1 -168.7(6) . . . . ?
O5 Yb1 O1 C1 -75.3(7) . . . . ?
O3 Yb1 O1 C1 82.7(7) . . . . ?
N1 Yb1 O1 C1 2.2(7) . . . . ?
N3 Yb1 O1 C1 149.8(7) . . . . ?
N2 Yb1 O1 C1 6.6(8) . . . . ?
N4 Yb1 O1 C1 -145.3(7) . . . . ?
C17 Yb1 O1 C1 103.1(7) . . . . ?
Na1 Yb1 O1 C1 -108.8(7) . . . . ?
O7 Yb1 O3 C17 -66.6(7) . . . . ?
O1 Yb1 O3 C17 86.8(7) . . . . ?
O5 Yb1 O3 C17 -159.1(6) . . . . ?
N1 Yb1 O3 C17 154.3(7) . . . . ?
N3 Yb1 O3 C17 4.8(6) . . . . ?
N2 Yb1 O3 C17 -140.9(7) . . . . ?
N4 Yb1 O3 C17 9.5(8) . . . . ?
C1 Yb1 O3 C17 107.0(7) . . . . ?
Na1 Yb1 O3 C17 -80.5(7) . . . . ?
O7 Yb1 O5 C33 -118.0(7) . . . . ?
O1 Yb1 O5 C33 90.0(7) . . . . ?
O3 Yb1 O5 C33 -23.3(11) . . . . ?
N1 Yb1 O5 C33 23.5(7) . . . . ?
N3 Yb1 O5 C33 178.0(7) . . . . ?
N2 Yb1 O5 C33 -41.4(7) . . . . ?
N4 Yb1 O5 C33 165.6(8) . . . . ?
C1 Yb1 O5 C33 70.4(7) . . . . ?
Na1 Yb1 O5 C33 -127.1(8) . . . . ?
O7 Yb1 O5 Na1 9.1(2) . . . . ?
O1 Yb1 O5 Na1 -142.9(2) . . . . ?
O3 Yb1 O5 Na1 103.8(5) . . . . ?
N1 Yb1 O5 Na1 150.6(3) . . . . ?
N3 Yb1 O5 Na1 -54.9(4) . . . . ?
N2 Yb1 O5 Na1 85.7(2) . . . . ?
N4 Yb1 O5 Na1 -67.4(2) . . . . ?
C1 Yb1 O5 Na1 -162.5(2) . . . . ?
N7 Na1 O5 C33 178.3(6) . . . . ?
O7 Na1 O5 C33 128.8(6) . . . . ?
N5 Na1 O5 C33 18.0(6) . . . . ?
N6 Na1 O5 C33 36.4(7) . . . . ?
N8 Na1 O5 C33 -95.9(6) . . . . ?
Yb1 Na1 O5 C33 137.5(7) . . . . ?
N7 Na1 O5 Yb1 40.8(4) . . . . ?
O7 Na1 O5 Yb1 -8.7(2) . . . . ?
N5 Na1 O5 Yb1 -119.5(3) . . . . ?
N6 Na1 O5 Yb1 -101.1(4) . . . . ?
N8 Na1 O5 Yb1 126.5(3) . . . . ?
O1 Yb1 O7 C49 -55.4(10) . . . . ?
O5 Yb1 O7 C49 -151.6(8) . . . . ?
O3 Yb1 O7 C49 52.5(8) . . . . ?
N1 Yb1 O7 C49 137.6(8) . . . . ?
N3 Yb1 O7 C49 -12.5(8) . . . . ?
N2 Yb1 O7 C49 128.1(8) . . . . ?
N4 Yb1 O7 C49 -79.2(8) . . . . ?
C17 Yb1 O7 C49 33.8(8) . . . . ?
Na1 Yb1 O7 C49 -142.0(9) . . . . ?
O1 Yb1 O7 Na1 86.5(5) . . . . ?
O5 Yb1 O7 Na1 -9.6(2) . . . . ?
O3 Yb1 O7 Na1 -165.5(2) . . . . ?
N1 Yb1 O7 Na1 -80.4(4) . . . . ?
N3 Yb1 O7 Na1 129.5(3) . . . . ?
N2 Yb1 O7 Na1 -89.9(3) . . . . ?
N4 Yb1 O7 Na1 62.8(3) . . . . ?
C17 Yb1 O7 Na1 175.7(3) . . . . ?
N7 Na1 O7 C49 20.9(6) . . . . ?
N5 Na1 O7 C49 -136.2(6) . . . . ?
O5 Na1 O7 C49 161.2(6) . . . . ?
N6 Na1 O7 C49 -67.6(6) . . . . ?
N8 Na1 O7 C49 34.3(7) . . . . ?
Yb1 Na1 O7 C49 152.3(7) . . . . ?
N7 Na1 O7 Yb1 -131.4(3) . . . . ?
N5 Na1 O7 Yb1 71.5(3) . . . . ?
O5 Na1 O7 Yb1 8.8(2) . . . . ?
N6 Na1 O7 Yb1 140.1(3) . . . . ?
N8 Na1 O7 Yb1 -118.0(3) . . . . ?
O7 Yb1 N1 C7 -3.5(9) . . . . ?
O1 Yb1 N1 C7 -177.0(8) . . . . ?
O5 Yb1 N1 C7 -76.0(7) . . . . ?
O3 Yb1 N1 C7 86.5(7) . . . . ?
N3 Yb1 N1 C7 130.8(7) . . . . ?
N2 Yb1 N1 C7 6.7(7) . . . . ?
N4 Yb1 N1 C7 -130.1(7) . . . . ?
C17 Yb1 N1 C7 95.4(7) . . . . ?
C1 Yb1 N1 C7 -176.0(9) . . . . ?
Na1 Yb1 N1 C7 -52.6(8) . . . . ?
O7 Yb1 N1 C6 170.1(5) . . . . ?
O1 Yb1 N1 C6 -3.4(6) . . . . ?
O5 Yb1 N1 C6 97.6(6) . . . . ?
O3 Yb1 N1 C6 -99.8(6) . . . . ?
N3 Yb1 N1 C6 -55.6(8) . . . . ?
N2 Yb1 N1 C6 -179.7(7) . . . . ?
N4 Yb1 N1 C6 43.6(7) . . . . ?
C17 Yb1 N1 C6 -90.9(6) . . . . ?
C1 Yb1 N1 C6 -2.3(5) . . . . ?
Na1 Yb1 N1 C6 121.0(6) . . . . ?
O7 Yb1 N2 C10 166.4(6) . . . . ?
O1 Yb1 N2 C10 -11.3(7) . . . . ?
O5 Yb1 N2 C10 78.3(6) . . . . ?
O3 Yb1 N2 C10 -94.3(6) . . . . ?
N1 Yb1 N2 C10 -6.7(6) . . . . ?
N3 Yb1 N2 C10 -138.5(6) . . . . ?
N4 Yb1 N2 C10 121.5(6) . . . . ?
C17 Yb1 N2 C10 -107.0(6) . . . . ?
C1 Yb1 N2 C10 -8.9(7) . . . . ?
Na1 Yb1 N2 C10 123.7(6) . . . . ?
O7 Yb1 N2 C16 -1.6(8) . . . . ?
O1 Yb1 N2 C16 -179.3(8) . . . . ?
O5 Yb1 N2 C16 -89.7(9) . . . . ?
O3 Yb1 N2 C16 97.7(9) . . . . ?
N1 Yb1 N2 C16 -174.8(9) . . . . ?
N3 Yb1 N2 C16 53.5(10) . . . . ?
N4 Yb1 N2 C16 -46.5(10) . . . . ?
C17 Yb1 N2 C16 84.9(9) . . . . ?
C1 Yb1 N2 C16 -176.9(8) . . . . ?
Na1 Yb1 N2 C16 -44.3(8) . . . . ?
O7 Yb1 N3 C23 -70.2(7) . . . . ?
O1 Yb1 N3 C23 91.0(7) . . . . ?
O5 Yb1 N3 C23 -2.3(9) . . . . ?
O3 Yb1 N3 C23 -173.1(8) . . . . ?
N1 Yb1 N3 C23 138.6(7) . . . . ?
N2 Yb1 N3 C23 -125.6(7) . . . . ?
N4 Yb1 N3 C23 10.9(7) . . . . ?
C17 Yb1 N3 C23 -170.8(9) . . . . ?
C1 Yb1 N3 C23 101.3(7) . . . . ?
Na1 Yb1 N3 C23 -38.4(8) . . . . ?
O7 Yb1 N3 C22 97.2(7) . . . . ?
O1 Yb1 N3 C22 -101.6(7) . . . . ?
O5 Yb1 N3 C22 165.1(6) . . . . ?
O3 Yb1 N3 C22 -5.6(6) . . . . ?
N1 Yb1 N3 C22 -54.0(8) . . . . ?
N2 Yb1 N3 C22 41.8(8) . . . . ?
N4 Yb1 N3 C22 178.3(7) . . . . ?
C17 Yb1 N3 C22 -3.4(6) . . . . ?
C1 Yb1 N3 C22 -91.3(7) . . . . ?
Na1 Yb1 N3 C22 129.0(6) . . . . ?
O7 Yb1 N4 C26 71.2(6) . . . . ?
O1 Yb1 N4 C26 -97.7(6) . . . . ?
O5 Yb1 N4 C26 161.3(7) . . . . ?
O3 Yb1 N4 C26 -13.9(7) . . . . ?
N1 Yb1 N4 C26 -141.4(6) . . . . ?
N3 Yb1 N4 C26 -9.0(6) . . . . ?
N2 Yb1 N4 C26 116.2(6) . . . . ?
C17 Yb1 N4 C26 -10.3(7) . . . . ?
C1 Yb1 N4 C26 -109.2(6) . . . . ?
Na1 Yb1 N4 C26 113.7(6) . . . . ?
O7 Yb1 N4 C32 -93.2(9) . . . . ?
O1 Yb1 N4 C32 97.9(9) . . . . ?
O5 Yb1 N4 C32 -3.1(9) . . . . ?
O3 Yb1 N4 C32 -178.3(8) . . . . ?
N1 Yb1 N4 C32 54.2(10) . . . . ?
N3 Yb1 N4 C32 -173.4(10) . . . . ?
N2 Yb1 N4 C32 -48.2(11) . . . . ?
C17 Yb1 N4 C32 -174.7(9) . . . . ?
C1 Yb1 N4 C32 86.4(9) . . . . ?
Na1 Yb1 N4 C32 -50.7(9) . . . . ?
N7 Na1 N5 C39 34.3(12) . . . . ?
O7 Na1 N5 C39 102.0(7) . . . . ?
O5 Na1 N5 C39 171.9(8) . . . . ?
N6 Na1 N5 C39 6.6(7) . . . . ?
N8 Na1 N5 C39 -69.9(8) . . . . ?
Yb1 Na1 N5 C39 138.4(7) . . . . ?
N7 Na1 N5 C38 -152.4(8) . . . . ?
O7 Na1 N5 C38 -84.7(7) . . . . ?
O5 Na1 N5 C38 -14.8(6) . . . . ?
N6 Na1 N5 C38 179.9(7) . . . . ?
N8 Na1 N5 C38 103.4(7) . . . . ?
Yb1 Na1 N5 C38 -48.3(6) . . . . ?
N7 Na1 N6 C42 -173.6(6) . . . . ?
O7 Na1 N6 C42 -104.7(6) . . . . ?
N5 Na1 N6 C42 -4.1(6) . . . . ?
O5 Na1 N6 C42 -22.5(8) . . . . ?
N8 Na1 N6 C42 120.2(6) . . . . ?
Yb1 Na1 N6 C42 -74.2(7) . . . . ?
N7 Na1 N6 C48 2.2(11) . . . . ?
O7 Na1 N6 C48 71.1(11) . . . . ?
N5 Na1 N6 C48 171.7(11) . . . . ?
O5 Na1 N6 C48 153.2(10) . . . . ?
N8 Na1 N6 C48 -64.0(11) . . . . ?
Yb1 Na1 N6 C48 101.5(11) . . . . ?
O7 Na1 N7 C55 178.0(8) . . . . ?
N5 Na1 N7 C55 -107.3(10) . . . . ?
O5 Na1 N7 C55 125.2(7) . . . . ?
N6 Na1 N7 C55 -82.0(7) . . . . ?
N8 Na1 N7 C55 8.5(7) . . . . ?
Yb1 Na1 N7 C55 149.9(7) . . . . ?
O7 Na1 N7 C54 -19.3(6) . . . . ?
N5 Na1 N7 C54 55.4(10) . . . . ?
O5 Na1 N7 C54 -72.1(7) . . . . ?
N6 Na1 N7 C54 80.7(6) . . . . ?
N8 Na1 N7 C54 171.2(7) . . . . ?
Yb1 Na1 N7 C54 -47.5(6) . . . . ?
N7 Na1 N8 C58 -3.7(6) . . . . ?
O7 Na1 N8 C58 -17.3(8) . . . . ?
N5 Na1 N8 C58 151.8(6) . . . . ?
O5 Na1 N8 C58 -124.9(6) . . . . ?
N6 Na1 N8 C58 88.3(6) . . . . ?
Yb1 Na1 N8 C58 -74.3(7) . . . . ?
N7 Na1 N8 C64 175.3(13) . . . . ?
O7 Na1 N8 C64 161.7(11) . . . . ?
N5 Na1 N8 C64 -29.3(14) . . . . ?
O5 Na1 N8 C64 54.0(13) . . . . ?
N6 Na1 N8 C64 -92.8(13) . . . . ?
Yb1 Na1 N8 C64 104.7(12) . . . . ?
Yb1 O1 C1 C2 177.3(7) . . . . ?
Yb1 O1 C1 C6 -0.8(11) . . . . ?
O5 Yb1 C1 O1 106.0(7) . . . . ?
O3 Yb1 C1 O1 -98.0(7) . . . . ?
N1 Yb1 C1 O1 -177.3(8) . . . . ?
N3 Yb1 C1 O1 -30.7(7) . . . . ?
N2 Yb1 C1 O1 -174.7(7) . . . . ?
N4 Yb1 C1 O1 34.1(7) . . . . ?
C17 Yb1 C1 O1 -78.3(7) . . . . ?
Na1 Yb1 C1 O1 89.2(7) . . . . ?
O1 Yb1 C1 C2 -7.0(19) . . . . ?
O5 Yb1 C1 C2 99(2) . . . . ?
O3 Yb1 C1 C2 -105(2) . . . . ?
N1 Yb1 C1 C2 176(2) . . . . ?
N3 Yb1 C1 C2 -38(2) . . . . ?
N2 Yb1 C1 C2 178(2) . . . . ?
N4 Yb1 C1 C2 27(2) . . . . ?
C17 Yb1 C1 C2 -85(2) . . . . ?
Na1 Yb1 C1 C2 82(2) . . . . ?
O1 Yb1 C1 C6 179.3(10) . . . . ?
O5 Yb1 C1 C6 -74.7(5) . . . . ?
O3 Yb1 C1 C6 81.3(5) . . . . ?
N1 Yb1 C1 C6 2.0(5) . . . . ?
N3 Yb1 C1 C6 148.6(5) . . . . ?
N2 Yb1 C1 C6 4.6(6) . . . . ?
N4 Yb1 C1 C6 -146.6(5) . . . . ?
C17 Yb1 C1 C6 101.0(5) . . . . ?
Na1 Yb1 C1 C6 -91.5(5) . . . . ?
O1 C1 C2 C3 -177.5(9) . . . . ?
C6 C1 C2 C3 0.6(13) . . . . ?
Yb1 C1 C2 C3 -172.4(17) . . . . ?
C1 C2 C3 C4 -1.0(15) . . . . ?
C2 C3 C4 C5 1.9(14) . . . . ?
C3 C4 C5 C6 -2.3(13) . . . . ?
C3 C4 C5 C9 177.1(9) . . . . ?
C7 N1 C6 C5 -1.4(13) . . . . ?
Yb1 N1 C6 C5 -175.5(6) . . . . ?
C7 N1 C6 C1 178.4(8) . . . . ?
Yb1 N1 C6 C1 4.3(10) . . . . ?
C4 C5 C6 N1 -178.3(8) . . . . ?
C9 C5 C6 N1 2.3(13) . . . . ?
C4 C5 C6 C1 2.0(13) . . . . ?
C9 C5 C6 C1 -177.5(8) . . . . ?
O1 C1 C6 N1 -2.5(12) . . . . ?
C2 C1 C6 N1 179.2(8) . . . . ?
Yb1 C1 C6 N1 -3.0(7) . . . . ?
O1 C1 C6 C5 177.2(8) . . . . ?
C2 C1 C6 C5 -1.1(13) . . . . ?
Yb1 C1 C6 C5 176.7(8) . . . . ?
C6 N1 C7 C8 -0.8(13) . . . . ?
Yb1 N1 C7 C8 172.6(7) . . . . ?
C6 N1 C7 C10 -178.8(8) . . . . ?
Yb1 N1 C7 C10 -5.4(10) . . . . ?
N1 C7 C8 C9 2.0(14) . . . . ?
C10 C7 C8 C9 179.7(8) . . . . ?
C7 C8 C9 C5 -0.9(14) . . . . ?
C4 C5 C9 C8 179.6(9) . . . . ?
C6 C5 C9 C8 -1.0(13) . . . . ?
C16 N2 C10 O2 1.9(10) . . . . ?
Yb1 N2 C10 O2 -170.0(5) . . . . ?
C16 N2 C10 C7 179.6(8) . . . . ?
Yb1 N2 C10 C7 7.6(11) . . . . ?
C11 O2 C10 N2 -1.0(10) . . . . ?
C11 O2 C10 C7 -178.7(8) . . . . ?
N1 C7 C10 N2 -2.1(12) . . . . ?
C8 C7 C10 N2 179.9(9) . . . . ?
N1 C7 C10 O2 175.4(8) . . . . ?
C8 C7 C10 O2 -2.6(14) . . . . ?
C10 O2 C11 C12 178.7(10) . . . . ?
C10 O2 C11 C16 -0.4(10) . . . . ?
O2 C11 C12 C13 -178.8(9) . . . . ?
C16 C11 C12 C13 0.2(15) . . . . ?
C11 C12 C13 C14 -2.6(15) . . . . ?
C11 C12 C13 Cl1 176.8(7) . . . . ?
C12 C13 C14 C15 3.2(16) . . . . ?
Cl1 C13 C14 C15 -176.1(8) . . . . ?
C13 C14 C15 C16 -1.2(14) . . . . ?
C14 C15 C16 C11 -1.0(14) . . . . ?
C14 C15 C16 N2 178.0(9) . . . . ?
O2 C11 C16 C15 -179.3(8) . . . . ?
C12 C11 C16 C15 1.6(15) . . . . ?
O2 C11 C16 N2 1.5(10) . . . . ?
C12 C11 C16 N2 -177.6(9) . . . . ?
C10 N2 C16 C15 178.9(10) . . . . ?
Yb1 N2 C16 C15 -12.3(16) . . . . ?
C10 N2 C16 C11 -2.1(10) . . . . ?
Yb1 N2 C16 C11 166.8(7) . . . . ?
Yb1 O3 C17 C18 175.8(7) . . . . ?
Yb1 O3 C17 C22 -3.5(11) . . . . ?
O7 Yb1 C17 O3 113.9(7) . . . . ?
O1 Yb1 C17 O3 -94.1(7) . . . . ?
N1 Yb1 C17 O3 -26.0(7) . . . . ?
N3 Yb1 C17 O3 -174.0(8) . . . . ?
N2 Yb1 C17 O3 38.1(7) . . . . ?
N4 Yb1 C17 O3 -172.4(6) . . . . ?
C1 Yb1 C17 O3 -74.2(7) . . . . ?
Na1 Yb1 C17 O3 117.6(6) . . . . ?
O7 Yb1 C17 C18 103(2) . . . . ?
O1 Yb1 C17 C18 -105(2) . . . . ?
O3 Yb1 C17 C18 -11(2) . . . . ?
N1 Yb1 C17 C18 -37(2) . . . . ?
N3 Yb1 C17 C18 175(2) . . . . ?
N2 Yb1 C17 C18 27(2) . . . . ?
N4 Yb1 C17 C18 176(2) . . . . ?
C1 Yb1 C17 C18 -85(2) . . . . ?
Na1 Yb1 C17 C18 106(2) . . . . ?
O7 Yb1 C17 C22 -69.1(5) . . . . ?
O1 Yb1 C17 C22 82.9(6) . . . . ?
O3 Yb1 C17 C22 176.9(10) . . . . ?
N1 Yb1 C17 C22 150.9(5) . . . . ?
N3 Yb1 C17 C22 2.9(5) . . . . ?
N2 Yb1 C17 C22 -145.0(5) . . . . ?
N4 Yb1 C17 C22 4.5(6) . . . . ?
C1 Yb1 C17 C22 102.8(5) . . . . ?
Na1 Yb1 C17 C22 -65.5(6) . . . . ?
O3 C17 C18 C19 -175.7(9) . . . . ?
C22 C17 C18 C19 3.6(14) . . . . ?
Yb1 C17 C18 C19 -167.3(17) . . . . ?
C17 C18 C19 C20 0.3(16) . . . . ?
C18 C19 C20 C21 -2.5(17) . . . . ?
C19 C20 C21 C25 179.4(10) . . . . ?
C19 C20 C21 C22 0.6(15) . . . . ?
C23 N3 C22 C17 174.1(8) . . . . ?
Yb1 N3 C22 C17 6.1(11) . . . . ?
C23 N3 C22 C21 -2.0(14) . . . . ?
Yb1 N3 C22 C21 -170.0(7) . . . . ?
O3 C17 C22 N3 -2.2(13) . . . . ?
C18 C17 C22 N3 178.4(8) . . . . ?
Yb1 C17 C22 N3 -4.3(8) . . . . ?
O3 C17 C22 C21 173.8(8) . . . . ?
C18 C17 C22 C21 -5.6(14) . . . . ?
Yb1 C17 C22 C21 171.7(9) . . . . ?
C25 C21 C22 N3 0.4(14) . . . . ?
C20 C21 C22 N3 179.4(9) . . . . ?
C25 C21 C22 C17 -175.4(9) . . . . ?
C20 C21 C22 C17 3.5(15) . . . . ?
C22 N3 C23 C24 2.8(14) . . . . ?
Yb1 N3 C23 C24 169.7(7) . . . . ?
C22 N3 C23 C26 -177.7(8) . . . . ?
Yb1 N3 C23 C26 -10.8(11) . . . . ?
N3 C23 C24 C25 -1.8(15) . . . . ?
C26 C23 C24 C25 178.8(9) . . . . ?
C23 C24 C25 C21 0.0(15) . . . . ?
C20 C21 C25 C24 -178.3(10) . . . . ?
C22 C21 C25 C24 0.6(14) . . . . ?
C32 N4 C26 O4 2.1(10) . . . . ?
Yb1 N4 C26 O4 -167.7(5) . . . . ?
C32 N4 C26 C23 178.1(8) . . . . ?
Yb1 N4 C26 C23 8.2(11) . . . . ?
C27 O4 C26 N4 -3.4(10) . . . . ?
C27 O4 C26 C23 -179.6(8) . . . . ?
N3 C23 C26 N4 0.8(13) . . . . ?
C24 C23 C26 N4 -179.7(9) . . . . ?
N3 C23 C26 O4 176.6(8) . . . . ?
C24 C23 C26 O4 -3.8(14) . . . . ?
C26 O4 C27 C28 -179.6(10) . . . . ?
C26 O4 C27 C32 3.2(10) . . . . ?
C32 C27 C28 C29 -2.2(15) . . . . ?
O4 C27 C28 C29 -179.0(9) . . . . ?
C27 C28 C29 C30 2.2(15) . . . . ?
C27 C28 C29 Cl2 -178.1(8) . . . . ?
C28 C29 C30 C31 -1.4(16) . . . . ?
Cl2 C29 C30 C31 178.8(8) . . . . ?
C29 C30 C31 C32 0.6(14) . . . . ?
C28 C27 C32 C31 1.5(15) . . . . ?
O4 C27 C32 C31 178.7(8) . . . . ?
C28 C27 C32 N4 -179.4(9) . . . . ?
O4 C27 C32 N4 -2.2(10) . . . . ?
C30 C31 C32 C27 -0.6(14) . . . . ?
C30 C31 C32 N4 -179.3(9) . . . . ?
C26 N4 C32 C27 0.2(10) . . . . ?
Yb1 N4 C32 C27 165.4(7) . . . . ?
C26 N4 C32 C31 179.0(10) . . . . ?
Yb1 N4 C32 C31 -15.7(17) . . . . ?
Yb1 O5 C33 C34 -80.3(11) . . . . ?
Na1 O5 C33 C34 159.6(7) . . . . ?
Yb1 O5 C33 C38 99.6(9) . . . . ?
Na1 O5 C33 C38 -20.4(10) . . . . ?
O5 C33 C34 C35 172.3(8) . . . . ?
C38 C33 C34 C35 -7.6(13) . . . . ?
C33 C34 C35 C36 3.1(15) . . . . ?
C34 C35 C36 C37 0.6(15) . . . . ?
C35 C36 C37 C41 -178.7(9) . . . . ?
C35 C36 C37 C38 0.6(14) . . . . ?
C39 N5 C38 C33 -175.8(8) . . . . ?
Na1 N5 C38 C33 10.7(11) . . . . ?
C39 N5 C38 C37 2.8(13) . . . . ?
Na1 N5 C38 C37 -170.7(7) . . . . ?
O5 C33 C38 N5 7.5(13) . . . . ?
C34 C33 C38 N5 -172.5(8) . . . . ?
O5 C33 C38 C37 -171.2(8) . . . . ?
C34 C33 C38 C37 8.8(13) . . . . ?
C36 C37 C38 N5 176.0(8) . . . . ?
C41 C37 C38 N5 -4.7(13) . . . . ?
C36 C37 C38 C33 -5.4(13) . . . . ?
C41 C37 C38 C33 173.9(9) . . . . ?
C38 N5 C39 C40 0.4(14) . . . . ?
Na1 N5 C39 C40 173.6(7) . . . . ?
C38 N5 C39 C42 179.0(8) . . . . ?
Na1 N5 C39 C42 -7.8(11) . . . . ?
N5 C39 C40 C41 -1.6(15) . . . . ?
C42 C39 C40 C41 179.9(9) . . . . ?
C39 C40 C41 C37 -0.4(15) . . . . ?
C36 C37 C41 C40 -177.4(9) . . . . ?
C38 C37 C41 C40 3.3(14) . . . . ?
C48 N6 C42 O6 0.9(11) . . . . ?
Na1 N6 C42 O6 178.4(6) . . . . ?
C48 N6 C42 C39 -175.3(9) . . . . ?
Na1 N6 C42 C39 2.2(12) . . . . ?
C43 O6 C42 N6 -1.0(11) . . . . ?
C43 O6 C42 C39 175.5(8) . . . . ?
N5 C39 C42 N6 3.3(14) . . . . ?
C40 C39 C42 N6 -178.1(9) . . . . ?
N5 C39 C42 O6 -172.8(8) . . . . ?
C40 C39 C42 O6 5.8(14) . . . . ?
C42 O6 C43 C44 -179.0(10) . . . . ?
C42 O6 C43 C48 0.6(10) . . . . ?
O6 C43 C44 C45 -179.8(9) . . . . ?
C48 C43 C44 C45 0.6(15) . . . . ?
C43 C44 C45 C46 -1.0(16) . . . . ?
C43 C44 C45 Cl3 -179.5(8) . . . . ?
C44 C45 C46 C47 1.9(17) . . . . ?
Cl3 C45 C46 C47 -179.7(8) . . . . ?
C45 C46 C47 C48 -2.2(16) . . . . ?
C42 N6 C48 C43 -0.5(10) . . . . ?
Na1 N6 C48 C43 -176.3(8) . . . . ?
C42 N6 C48 C47 -179.7(11) . . . . ?
Na1 N6 C48 C47 4.4(19) . . . . ?
O6 C43 C48 N6 -0.1(11) . . . . ?
C44 C43 C48 N6 179.5(9) . . . . ?
O6 C43 C48 C47 179.3(9) . . . . ?
C44 C43 C48 C47 -1.1(15) . . . . ?
C46 C47 C48 N6 -179.0(10) . . . . ?
C46 C47 C48 C43 1.8(14) . . . . ?
Yb1 O7 C49 C50 -66.9(12) . . . . ?
Na1 O7 C49 C50 155.0(8) . . . . ?
Yb1 O7 C49 C54 117.0(9) . . . . ?
Na1 O7 C49 C54 -21.2(10) . . . . ?
O7 C49 C50 C51 178.9(9) . . . . ?
C54 C49 C50 C51 -4.9(14) . . . . ?
C49 C50 C51 C52 0.3(15) . . . . ?
C50 C51 C52 C53 2.6(15) . . . . ?
C51 C52 C53 C57 177.8(9) . . . . ?
C51 C52 C53 C54 -0.5(14) . . . . ?
C55 N7 C54 C53 0.3(13) . . . . ?
Na1 N7 C54 C53 -163.5(7) . . . . ?
C55 N7 C54 C49 -179.8(8) . . . . ?
Na1 N7 C54 C49 16.3(10) . . . . ?
C52 C53 C54 N7 175.6(8) . . . . ?
C57 C53 C54 N7 -2.9(13) . . . . ?
C52 C53 C54 C49 -4.3(13) . . . . ?
C57 C53 C54 C49 177.2(8) . . . . ?
O7 C49 C54 N7 3.4(12) . . . . ?
C50 C49 C54 N7 -173.1(8) . . . . ?
O7 C49 C54 C53 -176.7(8) . . . . ?
C50 C49 C54 C53 6.8(13) . . . . ?
C54 N7 C55 C56 3.1(13) . . . . ?
Na1 N7 C55 C56 165.3(7) . . . . ?
C54 N7 C55 C58 -173.8(8) . . . . ?
Na1 N7 C55 C58 -11.6(11) . . . . ?
N7 C55 C56 C57 -3.6(14) . . . . ?
C58 C55 C56 C57 173.1(9) . . . . ?
C55 C56 C57 C53 0.7(14) . . . . ?
C52 C53 C57 C56 -176.1(9) . . . . ?
C54 C53 C57 C56 2.3(14) . . . . ?
C64 N8 C58 O8 -1.1(11) . . . . ?
Na1 N8 C58 O8 178.3(6) . . . . ?
C64 N8 C58 C55 -179.8(9) . . . . ?
Na1 N8 C58 C55 -0.3(11) . . . . ?
C59 O8 C58 N8 1.3(11) . . . . ?
C59 O8 C58 C55 -180.0(8) . . . . ?
N7 C55 C58 N8 7.2(14) . . . . ?
C56 C55 C58 N8 -169.8(9) . . . . ?
N7 C55 C58 O8 -171.4(8) . . . . ?
C56 C55 C58 O8 11.6(13) . . . . ?
C58 O8 C59 C60 178.2(10) . . . . ?
C58 O8 C59 C64 -0.8(10) . . . . ?
O8 C59 C60 C61 178.6(9) . . . . ?
C64 C59 C60 C61 -2.5(15) . . . . ?
C59 C60 C61 C62 2.0(15) . . . . ?
C59 C60 C61 Cl4 -179.1(7) . . . . ?
C60 C61 C62 C63 -1.6(16) . . . . ?
Cl4 C61 C62 C63 179.4(8) . . . . ?
C61 C62 C63 C64 1.5(15) . . . . ?
C60 C59 C64 C63 2.7(16) . . . . ?
O8 C59 C64 C63 -178.3(8) . . . . ?
C60 C59 C64 N8 -178.8(9) . . . . ?
O8 C59 C64 N8 0.2(11) . . . . ?
C62 C63 C64 C59 -2.0(14) . . . . ?
C62 C63 C64 N8 179.8(10) . . . . ?
C58 N8 C64 C59 0.5(11) . . . . ?
Na1 N8 C64 C59 -178.5(9) . . . . ?
C58 N8 C64 C63 178.8(10) . . . . ?
Na1 N8 C64 C63 0(2) . . . . ?
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 0.000 0.000 0.000 464 162 ' '
2 0.500 0.500 0.500 464 161 ' '
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168336786
