#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:38:05 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179070 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/32/4303296.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_4303296
loop_
_publ_author_name
'Jason D. Dorweiler'
'Victor N. Nemykin'
'Amanda N. Ley'
'Robert D. Pike'
'Steven M. Berry'
_publ_contact_author_address
; 
 Department of Chemistry and Biochemistry
 University of Minnesota Duluth
 1039 University Drive
 Duluth, MN 55812, USA  
;
_publ_contact_author_email       vnemykin@d.umn.edu
_publ_contact_author_fax         '+1 218 7266729'
_publ_contact_author_name        'Victor Nemykin'
_publ_contact_author_phone       '+1 218 7266729'
_publ_section_title
;
Structural and NMR Characterization of Sm(III), Eu(III), and Yb(III)
Complexes of an Amide Based Polydentate Ligand Exhibiting Paramagnetic
Chemical Exchange Saturation Transfer Abilities
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9365
_journal_page_last               9376
_journal_paper_doi               10.1021/ic901191a
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C32 H64 N6 O7 Yb, 3(N O3), C2 H6 O'
_chemical_formula_sum            'C34 H70 N9 O17 Yb'
_chemical_formula_weight         1050.03
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 96.331(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.436(5)
_cell_length_b                   14.1718(18)
_cell_length_c                   20.786(3)
_cell_measurement_temperature    100(2)
_cell_volume                     10082(2)
_computing_cell_refinement       'SAINTPLUS (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2004)'
_computing_data_reduction        SAINTPLUS
_computing_molecular_graphics    'ORTEP3 (Farrugia, 1997)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'XSHELL (Bruker, 2004)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'ω and ψ'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0171
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            53564
_diffrn_reflns_theta_full        66.99
_diffrn_reflns_theta_max         66.99
_diffrn_reflns_theta_min         3.38
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.033
_exptl_absorpt_correction_T_max  0.4482
_exptl_absorpt_correction_T_min  0.2717
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.384
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4344
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.179
_refine_diff_density_min         -0.693
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     563
_refine_ls_number_reflns         8630
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0605P)²+56.1010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1102
_refine_ls_wR_factor_ref         0.1117
_reflns_number_gt                8198
_reflns_number_total             8630
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901191a_si_002_3.cif
_cod_data_source_block           Yb(III)L
_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_database_code               4303296
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.129298(5) 0.045601(13) 0.867201(8) 0.02123(9) Uani 1 1 d . . .
O1 O 0.15276(7) -0.09704(18) 0.83510(12) 0.0256(5) Uani 1 1 d . . .
O2 O 0.13670(8) 0.19784(18) 0.83286(12) 0.0260(6) Uani 1 1 d . . .
O3 O 0.08531(8) 0.04929(19) 0.76900(13) 0.0302(6) Uani 1 1 d . . .
O4 O 0.07602(8) -0.0691(2) 0.86318(14) 0.0331(6) Uani 1 1 d . . .
O5 O 0.13104(8) -0.05342(19) 0.96179(13) 0.0298(6) Uani 1 1 d . . .
O6 O 0.19422(7) 0.05752(18) 0.90361(12) 0.0225(5) Uani 1 1 d . . .
O7 O 0.07536(8) 0.1190(2) 0.90018(13) 0.0325(6) Uani 1 1 d . . .
O8 O 0.17945(13) 0.3045(3) 0.63054(16) 0.0617(11) Uani 1 1 d . . .
O9 O 0.12751(11) 0.2189(2) 0.61033(15) 0.0496(9) Uani 1 1 d . . .
O10 O 0.14531(17) 0.3077(4) 0.5354(2) 0.0889(16) Uani 1 1 d . . .
O11 O 0.25545(9) 0.1915(2) 0.20206(13) 0.0419(8) Uani 1 1 d . . .
O12 O 0.22096(13) 0.1060(3) 0.13134(15) 0.0705(14) Uani 1 1 d . . .
O13 O 0.26402(9) 0.2002(2) 0.10073(13) 0.0349(7) Uani 1 1 d . . .
O14 O 0.0237(2) 0.8123(8) 0.6386(5) 0.199(5) Uani 1 1 d . . .
O15 O 0.0822(2) 0.8148(12) 0.6406(4) 0.232(7) Uani 1 1 d . . .
O16 O 0.0553(3) 0.9120(9) 0.6089(6) 0.193(5) Uani 1 1 d . . .
O17 O 0.0595(3) 0.3876(6) 0.0437(4) 0.148(3) Uani 1 1 d . . .
H17 H 0.0506 0.3693 0.0077 0.223 Uiso 1 1 calc R . .
N1 N 0.16609(9) 0.0530(2) 0.76546(15) 0.0222(6) Uani 1 1 d . . .
N2 N 0.14261(9) 0.1443(2) 0.97375(15) 0.0271(7) Uani 1 1 d . . .
N3 N 0.19831(10) -0.1862(2) 0.79284(16) 0.0286(7) Uani 1 1 d . . .
H3 H 0.2172 -0.1852 0.7691 0.034 Uiso 1 1 calc R . .
N4 N 0.14931(10) 0.2996(2) 0.75319(15) 0.0285(7) Uani 1 1 d . . .
H4 H 0.1624 0.3063 0.7206 0.034 Uiso 1 1 calc R . .
N5 N 0.24392(9) 0.0923(2) 0.98196(14) 0.0246(7) Uani 1 1 d . . .
H5 H 0.2506 0.1277 1.0149 0.030 Uiso 1 1 calc R . .
N6 N 0.04446(11) 0.2352(3) 0.9499(2) 0.0425(9) Uani 1 1 d . . .
H6 H 0.0477 0.2826 0.9757 0.051 Uiso 1 1 calc R . .
N7 N 0.15074(13) 0.2764(3) 0.59169(17) 0.0445(10) Uani 1 1 d . . .
N8 N 0.24654(10) 0.1662(2) 0.14482(15) 0.0300(7) Uani 1 1 d . . .
N9 N 0.05054(14) 0.8402(4) 0.6271(2) 0.0494(11) Uani 1 1 d . . .
C1 C 0.19722(11) -0.0189(3) 0.77213(18) 0.0237(7) Uani 1 1 d . . .
H1A H 0.2198 0.0045 0.7996 0.028 Uiso 1 1 calc R . .
H1B H 0.2053 -0.0340 0.7300 0.028 Uiso 1 1 calc R . .
C2 C 0.18111(10) -0.1061(3) 0.80197(17) 0.0229(7) Uani 1 1 d . . .
C3 C 0.18811(13) -0.2797(3) 0.8199(2) 0.0359(9) Uani 1 1 d . . .
C4 C 0.14686(15) -0.3055(3) 0.7920(3) 0.0492(12) Uani 1 1 d . . .
H4A H 0.1290 -0.2580 0.8035 0.074 Uiso 1 1 calc R . .
H4B H 0.1399 -0.3653 0.8091 0.074 Uiso 1 1 calc R . .
H4C H 0.1456 -0.3096 0.7457 0.074 Uiso 1 1 calc R . .
C5 C 0.21751(16) -0.3502(3) 0.7986(3) 0.0548(14) Uani 1 1 d . . .
H5A H 0.2156 -0.3518 0.7521 0.082 Uiso 1 1 calc R . .
H5B H 0.2121 -0.4118 0.8146 0.082 Uiso 1 1 calc R . .
H5C H 0.2434 -0.3315 0.8155 0.082 Uiso 1 1 calc R . .
C6 C 0.19204(15) -0.2747(3) 0.8936(2) 0.0452(11) Uani 1 1 d . . .
H6A H 0.2187 -0.2619 0.9096 0.068 Uiso 1 1 calc R . .
H6B H 0.1842 -0.3338 0.9107 0.068 Uiso 1 1 calc R . .
H6C H 0.1756 -0.2252 0.9069 0.068 Uiso 1 1 calc R . .
C7 C 0.18212(11) 0.1492(3) 0.76131(18) 0.0260(8) Uani 1 1 d . . .
H7A H 0.1863 0.1630 0.7169 0.031 Uiso 1 1 calc R . .
H7B H 0.2071 0.1535 0.7878 0.031 Uiso 1 1 calc R . .
C8 C 0.15396(11) 0.2197(3) 0.78437(17) 0.0239(8) Uani 1 1 d . . .
C9 C 0.12415(13) 0.3800(3) 0.7673(2) 0.0345(9) Uani 1 1 d . . .
C10 C 0.1281(2) 0.4528(3) 0.7148(3) 0.0587(17) Uani 1 1 d . . .
H10A H 0.1545 0.4752 0.7180 0.088 Uiso 1 1 calc R . .
H10B H 0.1108 0.5047 0.7201 0.088 Uiso 1 1 calc R . .
H10C H 0.1214 0.4245 0.6730 0.088 Uiso 1 1 calc R . .
C11 C 0.08230(16) 0.3475(4) 0.7650(4) 0.078(2) Uani 1 1 d . . .
H11A H 0.0734 0.3255 0.7222 0.116 Uiso 1 1 calc R . .
H11B H 0.0662 0.3992 0.7759 0.116 Uiso 1 1 calc R . .
H11C H 0.0806 0.2971 0.7955 0.116 Uiso 1 1 calc R . .
C12 C 0.13890(16) 0.4208(3) 0.8331(2) 0.0434(11) Uani 1 1 d . . .
H12A H 0.1376 0.3734 0.8657 0.065 Uiso 1 1 calc R . .
H12B H 0.1229 0.4736 0.8422 0.065 Uiso 1 1 calc R . .
H12C H 0.1655 0.4412 0.8328 0.065 Uiso 1 1 calc R . .
C13 C 0.13884(12) 0.0297(3) 0.70693(19) 0.0280(8) Uani 1 1 d . . .
H13A H 0.1354 -0.0382 0.7041 0.034 Uiso 1 1 calc R . .
H13B H 0.1501 0.0504 0.6686 0.034 Uiso 1 1 calc R . .
C14 C 0.09975(12) 0.0761(3) 0.70877(19) 0.0298(8) Uani 1 1 d . . .
H14A H 0.1024 0.1441 0.7065 0.036 Uiso 1 1 calc R . .
H14B H 0.0817 0.0554 0.6723 0.036 Uiso 1 1 calc R . .
C15 C 0.04982(13) -0.0027(4) 0.7653(2) 0.0445(11) Uani 1 1 d . . .
H15A H 0.0406 -0.0157 0.7204 0.053 Uiso 1 1 calc R . .
H15B H 0.0300 0.0339 0.7838 0.053 Uiso 1 1 calc R . .
C16 C 0.05678(15) -0.0918(4) 0.8010(2) 0.0472(12) Uani 1 1 d . . .
H16A H 0.0322 -0.1234 0.8053 0.057 Uiso 1 1 calc R . .
H16B H 0.0730 -0.1335 0.7783 0.057 Uiso 1 1 calc R . .
C17 C 0.07968(14) -0.1437(4) 0.9093(2) 0.0445(11) Uani 1 1 d . . .
H17A H 0.0967 -0.1925 0.8956 0.053 Uiso 1 1 calc R . .
H17B H 0.0543 -0.1714 0.9132 0.053 Uiso 1 1 calc R . .
C18 C 0.09615(14) -0.1045(4) 0.9717(2) 0.0479(12) Uani 1 1 d . . .
H18A H 0.0774 -0.0625 0.9886 0.058 Uiso 1 1 calc R . .
H18B H 0.1023 -0.1549 1.0028 0.058 Uiso 1 1 calc R . .
C19 C 0.15059(13) -0.0150(3) 1.0210(2) 0.0369(10) Uani 1 1 d . . .
H19A H 0.1786 -0.0145 1.0189 0.044 Uiso 1 1 calc R . .
H19B H 0.1452 -0.0540 1.0573 0.044 Uiso 1 1 calc R . .
C20 C 0.13643(13) 0.0836(3) 1.0303(2) 0.0349(9) Uani 1 1 d . . .
H20A H 0.1088 0.0822 1.0359 0.042 Uiso 1 1 calc R . .
H20B H 0.1504 0.1103 1.0692 0.042 Uiso 1 1 calc R . .
C21 C 0.18313(11) 0.1792(3) 0.97802(18) 0.0262(8) Uani 1 1 d . . .
H21A H 0.1925 0.1937 1.0227 0.031 Uiso 1 1 calc R . .
H21B H 0.1842 0.2365 0.9527 0.031 Uiso 1 1 calc R . .
C22 C 0.20852(11) 0.1041(3) 0.95252(17) 0.0235(8) Uani 1 1 d . . .
C23 C 0.27354(11) 0.0239(3) 0.96410(19) 0.0289(8) Uani 1 1 d . . .
C24 C 0.25658(13) -0.0768(3) 0.9595(2) 0.0369(10) Uani 1 1 d . . .
H24A H 0.2476 -0.0937 1.0001 0.055 Uiso 1 1 calc R . .
H24B H 0.2765 -0.1203 0.9497 0.055 Uiso 1 1 calc R . .
H24C H 0.2351 -0.0792 0.9259 0.055 Uiso 1 1 calc R . .
C25 C 0.30708(13) 0.0268(3) 1.0188(2) 0.0359(10) Uani 1 1 d . . .
H25A H 0.3186 0.0886 1.0209 0.054 Uiso 1 1 calc R . .
H25B H 0.3265 -0.0190 1.0107 0.054 Uiso 1 1 calc R . .
H25C H 0.2972 0.0128 1.0592 0.054 Uiso 1 1 calc R . .
C26 C 0.28848(13) 0.0547(3) 0.9006(2) 0.0361(10) Uani 1 1 d . . .
H26A H 0.2668 0.0624 0.8679 0.054 Uiso 1 1 calc R . .
H26B H 0.3058 0.0074 0.8870 0.054 Uiso 1 1 calc R . .
H26C H 0.3022 0.1135 0.9070 0.054 Uiso 1 1 calc R . .
C27 C 0.11461(12) 0.2233(3) 0.9703(2) 0.0331(9) Uani 1 1 d . . .
H27A H 0.1241 0.2750 0.9458 0.040 Uiso 1 1 calc R . .
H27B H 0.1115 0.2458 1.0135 0.040 Uiso 1 1 calc R . .
C28 C 0.07595(12) 0.1883(3) 0.9375(2) 0.0324(9) Uani 1 1 d . . .
C29 C 0.00367(13) 0.2125(4) 0.9225(3) 0.0489(12) Uani 1 1 d . . .
C30 C -0.00632(14) 0.1124(4) 0.9407(3) 0.0493(12) Uani 1 1 d . . .
H30A H 0.0088 0.0687 0.9184 0.074 Uiso 1 1 calc R . .
H30B H -0.0336 0.1010 0.9286 0.074 Uiso 1 1 calc R . .
H30C H -0.0004 0.1040 0.9866 0.074 Uiso 1 1 calc R . .
C31 C -0.00055(15) 0.2256(4) 0.8493(3) 0.0601(15) Uani 1 1 d . . .
H31A H 0.0050 0.2900 0.8392 0.090 Uiso 1 1 calc R . .
H31B H -0.0268 0.2103 0.8317 0.090 Uiso 1 1 calc R . .
H31C H 0.0175 0.1847 0.8307 0.090 Uiso 1 1 calc R . .
C32 C -0.02233(16) 0.2835(5) 0.9543(4) 0.076(2) Uani 1 1 d . . .
H32A H -0.0194 0.2741 1.0003 0.113 Uiso 1 1 calc R . .
H32B H -0.0492 0.2739 0.9376 0.113 Uiso 1 1 calc R . .
H32C H -0.0146 0.3466 0.9448 0.113 Uiso 1 1 calc R . .
C33 C 0.0820(3) 0.4779(10) 0.0375(8) 0.185(8) Uani 1 1 d . . .
H33A H 0.1095 0.4649 0.0495 0.223 Uiso 1 1 calc R . .
H33B H 0.0739 0.5230 0.0685 0.223 Uiso 1 1 calc R . .
C34 C 0.0775(6) 0.525(2) -0.0298(8) 0.42(3) Uani 1 1 d . . .
H34A H 0.1015 0.5552 -0.0371 0.636 Uiso 1 1 calc R . .
H34B H 0.0568 0.5703 -0.0320 0.636 Uiso 1 1 calc R . .
H34C H 0.0713 0.4772 -0.0624 0.636 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -7.2108 4.4329 '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
O6 Yb1 O2 84.00(9) . . ?
O6 Yb1 O7 131.37(10) . . ?
O2 Yb1 O7 77.80(10) . . ?
O6 Yb1 O1 78.42(9) . . ?
O2 Yb1 O1 132.87(9) . . ?
O7 Yb1 O1 143.55(10) . . ?
O6 Yb1 O3 141.35(9) . . ?
O2 Yb1 O3 78.27(9) . . ?
O7 Yb1 O3 77.82(10) . . ?
O1 Yb1 O3 88.94(9) . . ?
O6 Yb1 O5 80.65(9) . . ?
O2 Yb1 O5 143.81(9) . . ?
O7 Yb1 O5 88.18(10) . . ?
O1 Yb1 O5 75.37(9) . . ?
O3 Yb1 O5 131.42(9) . . ?
O6 Yb1 O4 139.74(9) . . ?
O2 Yb1 O4 136.26(9) . . ?
O7 Yb1 O4 71.50(10) . . ?
O1 Yb1 O4 72.11(9) . . ?
O3 Yb1 O4 65.50(9) . . ?
O5 Yb1 O4 65.93(9) . . ?
O6 Yb1 N1 73.63(9) . . ?
O2 Yb1 N1 68.06(9) . . ?
O7 Yb1 N1 135.32(10) . . ?
O1 Yb1 N1 65.11(9) . . ?
O3 Yb1 N1 67.94(10) . . ?
O5 Yb1 N1 136.10(10) . . ?
O4 Yb1 N1 115.63(10) . . ?
O6 Yb1 N2 66.84(9) . . ?
O2 Yb1 N2 75.27(10) . . ?
O7 Yb1 N2 65.02(10) . . ?
O1 Yb1 N2 132.85(10) . . ?
O3 Yb1 N2 137.91(10) . . ?
O5 Yb1 N2 68.56(10) . . ?
O4 Yb1 N2 116.41(10) . . ?
N1 Yb1 N2 127.95(10) . . ?
C2 O1 Yb1 124.4(2) . . ?
C8 O2 Yb1 123.8(2) . . ?
C15 O3 C14 117.6(3) . . ?
C15 O3 Yb1 119.5(2) . . ?
C14 O3 Yb1 119.7(2) . . ?
C16 O4 C17 116.1(4) . . ?
C16 O4 Yb1 117.0(2) . . ?
C17 O4 Yb1 117.4(2) . . ?
C18 O5 C19 112.7(3) . . ?
C18 O5 Yb1 117.7(2) . . ?
C19 O5 Yb1 116.3(2) . . ?
C22 O6 Yb1 125.7(2) . . ?
C28 O7 Yb1 125.6(3) . . ?
C33 O17 H17 109.5 . . ?
C1 N1 C7 111.8(3) . . ?
C1 N1 C13 108.0(3) . . ?
C7 N1 C13 111.3(3) . . ?
C1 N1 Yb1 108.2(2) . . ?
C7 N1 Yb1 107.8(2) . . ?
C13 N1 Yb1 109.7(2) . . ?
C21 N2 C27 110.9(3) . . ?
C21 N2 C20 111.3(3) . . ?
C27 N2 C20 109.1(3) . . ?
C21 N2 Yb1 107.9(2) . . ?
C27 N2 Yb1 108.2(2) . . ?
C20 N2 Yb1 109.4(2) . . ?
C2 N3 C3 125.9(3) . . ?
C2 N3 H3 117.0 . . ?
C3 N3 H3 117.0 . . ?
C8 N4 C9 127.7(3) . . ?
C8 N4 H4 116.1 . . ?
C9 N4 H4 116.1 . . ?
C22 N5 C23 126.6(3) . . ?
C22 N5 H5 116.7 . . ?
C23 N5 H5 116.7 . . ?
C28 N6 C29 125.2(4) . . ?
C28 N6 H6 117.4 . . ?
C29 N6 H6 117.4 . . ?
O9 N7 O10 119.7(4) . . ?
O9 N7 O8 119.6(4) . . ?
O10 N7 O8 120.7(4) . . ?
O12 N8 O13 119.3(3) . . ?
O12 N8 O11 120.6(3) . . ?
O13 N8 O11 120.1(3) . . ?
O14 N9 O16 126.1(11) . . ?
O14 N9 O15 130.9(10) . . ?
O16 N9 O15 101.5(9) . . ?
N1 C1 C2 107.9(3) . . ?
N1 C1 H1A 110.1 . . ?
C2 C1 H1A 110.1 . . ?
N1 C1 H1B 110.1 . . ?
C2 C1 H1B 110.1 . . ?
H1A C1 H1B 108.4 . . ?
O1 C2 N3 123.9(3) . . ?
O1 C2 C1 118.8(3) . . ?
N3 C2 C1 117.2(3) . . ?
N3 C3 C4 108.5(4) . . ?
N3 C3 C6 109.8(3) . . ?
C4 C3 C6 111.8(4) . . ?
N3 C3 C5 106.2(3) . . ?
C4 C3 C5 110.7(4) . . ?
C6 C3 C5 109.6(4) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C7 C8 109.6(3) . . ?
N1 C7 H7A 109.7 . . ?
C8 C7 H7A 109.7 . . ?
N1 C7 H7B 109.7 . . ?
C8 C7 H7B 109.7 . . ?
H7A C7 H7B 108.2 . . ?
O2 C8 N4 124.5(4) . . ?
O2 C8 C7 117.8(3) . . ?
N4 C8 C7 117.7(3) . . ?
N4 C9 C11 109.7(4) . . ?
N4 C9 C10 106.3(4) . . ?
C11 C9 C10 110.2(5) . . ?
N4 C9 C12 109.0(3) . . ?
C11 C9 C12 111.5(5) . . ?
C10 C9 C12 109.9(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N1 C13 C14 111.6(3) . . ?
N1 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
N1 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
O3 C14 C13 107.6(3) . . ?
O3 C14 H14A 110.2 . . ?
C13 C14 H14A 110.2 . . ?
O3 C14 H14B 110.2 . . ?
C13 C14 H14B 110.2 . . ?
H14A C14 H14B 108.5 . . ?
O3 C15 C16 109.0(4) . . ?
O3 C15 H15A 109.9 . . ?
C16 C15 H15A 109.9 . . ?
O3 C15 H15B 109.9 . . ?
C16 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
O4 C16 C15 107.3(4) . . ?
O4 C16 H16A 110.3 . . ?
C15 C16 H16A 110.3 . . ?
O4 C16 H16B 110.3 . . ?
C15 C16 H16B 110.3 . . ?
H16A C16 H16B 108.5 . . ?
O4 C17 C18 108.1(4) . . ?
O4 C17 H17A 110.1 . . ?
C18 C17 H17A 110.1 . . ?
O4 C17 H17B 110.1 . . ?
C18 C17 H17B 110.1 . . ?
H17A C17 H17B 108.4 . . ?
O5 C18 C17 108.1(4) . . ?
O5 C18 H18A 110.1 . . ?
C17 C18 H18A 110.1 . . ?
O5 C18 H18B 110.1 . . ?
C17 C18 H18B 110.1 . . ?
H18A C18 H18B 108.4 . . ?
O5 C19 C20 109.6(3) . . ?
O5 C19 H19A 109.8 . . ?
C20 C19 H19A 109.8 . . ?
O5 C19 H19B 109.8 . . ?
C20 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
N2 C20 C19 111.0(3) . . ?
N2 C20 H20A 109.4 . . ?
C19 C20 H20A 109.4 . . ?
N2 C20 H20B 109.4 . . ?
C19 C20 H20B 109.4 . . ?
H20A C20 H20B 108.0 . . ?
N2 C21 C22 108.8(3) . . ?
N2 C21 H21A 109.9 . . ?
C22 C21 H21A 109.9 . . ?
N2 C21 H21B 109.9 . . ?
C22 C21 H21B 109.9 . . ?
H21A C21 H21B 108.3 . . ?
O6 C22 N5 124.5(3) . . ?
O6 C22 C21 117.4(3) . . ?
N5 C22 C21 118.1(3) . . ?
N5 C23 C25 106.2(3) . . ?
N5 C23 C26 109.6(3) . . ?
C25 C23 C26 109.6(4) . . ?
N5 C23 C24 110.7(3) . . ?
C25 C23 C24 108.7(3) . . ?
C26 C23 C24 111.8(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C23 C26 H26A 109.5 . . ?
C23 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C23 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 C28 108.2(3) . . ?
N2 C27 H27A 110.1 . . ?
C28 C27 H27A 110.1 . . ?
N2 C27 H27B 110.1 . . ?
C28 C27 H27B 110.1 . . ?
H27A C27 H27B 108.4 . . ?
O7 C28 N6 123.9(4) . . ?
O7 C28 C27 119.4(3) . . ?
N6 C28 C27 116.7(4) . . ?
N6 C29 C30 109.7(4) . . ?
N6 C29 C31 109.7(4) . . ?
C30 C29 C31 111.3(5) . . ?
N6 C29 C32 105.3(5) . . ?
C30 C29 C32 110.2(4) . . ?
C31 C29 C32 110.6(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O17 C33 C34 116.1(14) . . ?
O17 C33 H33A 108.3 . . ?
C34 C33 H33A 108.3 . . ?
O17 C33 H33B 108.3 . . ?
C34 C33 H33B 108.3 . . ?
H33A C33 H33B 107.4 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 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 O6 2.286(3) . ?
Yb1 O2 2.295(3) . ?
Yb1 O7 2.298(3) . ?
Yb1 O1 2.303(3) . ?
Yb1 O3 2.405(3) . ?
Yb1 O5 2.411(3) . ?
Yb1 O4 2.445(3) . ?
Yb1 N1 2.585(3) . ?
Yb1 N2 2.617(3) . ?
O1 C2 1.262(4) . ?
O2 C8 1.264(5) . ?
O3 C15 1.422(5) . ?
O3 C14 1.448(5) . ?
O4 C16 1.422(5) . ?
O4 C17 1.424(5) . ?
O5 C18 1.437(5) . ?
O5 C19 1.443(5) . ?
O6 C22 1.266(5) . ?
O7 C28 1.252(5) . ?
O8 N7 1.270(5) . ?
O9 N7 1.234(5) . ?
O10 N7 1.246(5) . ?
O11 N8 1.248(4) . ?
O12 N8 1.236(5) . ?
O13 N8 1.247(4) . ?
O14 N9 1.057(8) . ?
O15 N9 1.153(10) . ?
O16 N9 1.105(13) . ?
O17 C33 1.510(17) . ?
O17 H17 0.8200 . ?
N1 C1 1.474(5) . ?
N1 C7 1.477(5) . ?
N1 C13 1.489(5) . ?
N2 C21 1.474(5) . ?
N2 C27 1.474(5) . ?
N2 C20 1.491(5) . ?
N3 C2 1.305(5) . ?
N3 C3 1.497(5) . ?
N3 H3 0.8600 . ?
N4 C8 1.305(5) . ?
N4 C9 1.480(5) . ?
N4 H4 0.8600 . ?
N5 C22 1.313(5) . ?
N5 C23 1.484(5) . ?
N5 H5 0.8600 . ?
N6 C28 1.320(5) . ?
N6 C29 1.491(6) . ?
N6 H6 0.8600 . ?
C1 C2 1.514(5) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C3 C4 1.519(7) . ?
C3 C6 1.523(7) . ?
C3 C5 1.523(6) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C8 1.507(5) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C9 C11 1.509(7) . ?
C9 C10 1.519(7) . ?
C9 C12 1.520(6) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 C14 1.502(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.473(7) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
C17 C18 1.467(7) . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.499(7) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.510(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C23 C25 1.530(5) . ?
C23 C26 1.533(6) . ?
C23 C24 1.541(6) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 C28 1.511(6) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C29 C30 1.518(7) . ?
C29 C31 1.525(8) . ?
C29 C32 1.543(7) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C34 1.54(3) . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N6 H6 O17 0.86 2.06 2.918(8) 174.1 1_556
N5 H5 O13 0.86 2.07 2.922(4) 173.1 1_556
N4 H4 N7 0.86 2.70 3.379(5) 137.0 .
N4 H4 O8 0.86 2.02 2.858(5) 163.5 .
N3 H3 O11 0.86 2.02 2.873(4) 170.8 6_556
O17 H17 N6 0.82 2.25 2.918(8) 139.5 1_554
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
O6 Yb1 O1 C2 -53.1(3) . . . . ?
O2 Yb1 O1 C2 17.3(3) . . . . ?
O7 Yb1 O1 C2 157.8(3) . . . . ?
O3 Yb1 O1 C2 90.2(3) . . . . ?
O5 Yb1 O1 C2 -136.3(3) . . . . ?
O4 Yb1 O1 C2 154.7(3) . . . . ?
N1 Yb1 O1 C2 24.1(3) . . . . ?
N2 Yb1 O1 C2 -95.5(3) . . . . ?
O6 Yb1 O2 C8 74.2(3) . . . . ?
O7 Yb1 O2 C8 -151.1(3) . . . . ?
O1 Yb1 O2 C8 6.1(3) . . . . ?
O3 Yb1 O2 C8 -71.2(3) . . . . ?
O5 Yb1 O2 C8 139.4(3) . . . . ?
O4 Yb1 O2 C8 -105.2(3) . . . . ?
N1 Yb1 O2 C8 -0.5(3) . . . . ?
N2 Yb1 O2 C8 141.8(3) . . . . ?
O6 Yb1 O3 C15 151.0(3) . . . . ?
O2 Yb1 O3 C15 -144.5(3) . . . . ?
O7 Yb1 O3 C15 -64.7(3) . . . . ?
O1 Yb1 O3 C15 81.1(3) . . . . ?
O5 Yb1 O3 C15 11.8(4) . . . . ?
O4 Yb1 O3 C15 10.3(3) . . . . ?
N1 Yb1 O3 C15 144.6(3) . . . . ?
N2 Yb1 O3 C15 -92.6(3) . . . . ?
O6 Yb1 O3 C14 -8.5(3) . . . . ?
O2 Yb1 O3 C14 56.0(3) . . . . ?
O7 Yb1 O3 C14 135.9(3) . . . . ?
O1 Yb1 O3 C14 -78.3(3) . . . . ?
O5 Yb1 O3 C14 -147.6(2) . . . . ?
O4 Yb1 O3 C14 -149.1(3) . . . . ?
N1 Yb1 O3 C14 -14.8(3) . . . . ?
N2 Yb1 O3 C14 107.9(3) . . . . ?
O6 Yb1 O4 C16 -122.7(3) . . . . ?
O2 Yb1 O4 C16 56.4(4) . . . . ?
O7 Yb1 O4 C16 104.2(3) . . . . ?
O1 Yb1 O4 C16 -77.8(3) . . . . ?
O3 Yb1 O4 C16 19.5(3) . . . . ?
O5 Yb1 O4 C16 -159.3(3) . . . . ?
N1 Yb1 O4 C16 -28.0(3) . . . . ?
N2 Yb1 O4 C16 152.6(3) . . . . ?
O6 Yb1 O4 C17 22.5(4) . . . . ?
O2 Yb1 O4 C17 -158.4(3) . . . . ?
O7 Yb1 O4 C17 -110.6(3) . . . . ?
O1 Yb1 O4 C17 67.5(3) . . . . ?
O3 Yb1 O4 C17 164.7(3) . . . . ?
O5 Yb1 O4 C17 -14.1(3) . . . . ?
N1 Yb1 O4 C17 117.3(3) . . . . ?
N2 Yb1 O4 C17 -62.1(3) . . . . ?
O6 Yb1 O5 C18 -173.2(3) . . . . ?
O2 Yb1 O5 C18 120.6(3) . . . . ?
O7 Yb1 O5 C18 54.3(3) . . . . ?
O1 Yb1 O5 C18 -92.9(3) . . . . ?
O3 Yb1 O5 C18 -17.7(4) . . . . ?
O4 Yb1 O5 C18 -16.2(3) . . . . ?
N1 Yb1 O5 C18 -118.9(3) . . . . ?
N2 Yb1 O5 C18 118.1(3) . . . . ?
O6 Yb1 O5 C19 48.5(3) . . . . ?
O2 Yb1 O5 C19 -17.6(3) . . . . ?
O7 Yb1 O5 C19 -83.9(3) . . . . ?
O1 Yb1 O5 C19 128.9(3) . . . . ?
O3 Yb1 O5 C19 -155.9(2) . . . . ?
O4 Yb1 O5 C19 -154.5(3) . . . . ?
N1 Yb1 O5 C19 102.9(3) . . . . ?
N2 Yb1 O5 C19 -20.1(3) . . . . ?
O2 Yb1 O6 C22 73.7(3) . . . . ?
O7 Yb1 O6 C22 5.8(3) . . . . ?
O1 Yb1 O6 C22 -150.3(3) . . . . ?
O3 Yb1 O6 C22 136.4(3) . . . . ?
O5 Yb1 O6 C22 -73.4(3) . . . . ?
O4 Yb1 O6 C22 -106.9(3) . . . . ?
N1 Yb1 O6 C22 142.6(3) . . . . ?
N2 Yb1 O6 C22 -2.8(3) . . . . ?
O6 Yb1 O7 C28 12.2(4) . . . . ?
O2 Yb1 O7 C28 -58.3(3) . . . . ?
O1 Yb1 O7 C28 150.1(3) . . . . ?
O3 Yb1 O7 C28 -138.8(3) . . . . ?
O5 Yb1 O7 C28 88.1(3) . . . . ?
O4 Yb1 O7 C28 153.3(3) . . . . ?
N1 Yb1 O7 C28 -98.7(3) . . . . ?
N2 Yb1 O7 C28 20.9(3) . . . . ?
O6 Yb1 N1 C1 51.6(2) . . . . ?
O2 Yb1 N1 C1 141.7(2) . . . . ?
O7 Yb1 N1 C1 -175.4(2) . . . . ?
O1 Yb1 N1 C1 -33.0(2) . . . . ?
O3 Yb1 N1 C1 -132.5(2) . . . . ?
O5 Yb1 N1 C1 -5.1(3) . . . . ?
O4 Yb1 N1 C1 -86.2(2) . . . . ?
N2 Yb1 N1 C1 93.1(2) . . . . ?
O6 Yb1 N1 C7 -69.4(2) . . . . ?
O2 Yb1 N1 C7 20.6(2) . . . . ?
O7 Yb1 N1 C7 63.6(3) . . . . ?
O1 Yb1 N1 C7 -154.0(3) . . . . ?
O3 Yb1 N1 C7 106.4(2) . . . . ?
O5 Yb1 N1 C7 -126.1(2) . . . . ?
O4 Yb1 N1 C7 152.7(2) . . . . ?
N2 Yb1 N1 C7 -28.0(3) . . . . ?
O6 Yb1 N1 C13 169.3(2) . . . . ?
O2 Yb1 N1 C13 -100.7(2) . . . . ?
O7 Yb1 N1 C13 -57.7(3) . . . . ?
O1 Yb1 N1 C13 84.7(2) . . . . ?
O3 Yb1 N1 C13 -14.9(2) . . . . ?
O5 Yb1 N1 C13 112.6(2) . . . . ?
O4 Yb1 N1 C13 31.4(3) . . . . ?
N2 Yb1 N1 C13 -149.3(2) . . . . ?
O6 Yb1 N2 C21 22.5(2) . . . . ?
O2 Yb1 N2 C21 -67.3(2) . . . . ?
O7 Yb1 N2 C21 -150.4(3) . . . . ?
O1 Yb1 N2 C21 68.4(3) . . . . ?
O3 Yb1 N2 C21 -120.1(2) . . . . ?
O5 Yb1 N2 C21 111.2(2) . . . . ?
O4 Yb1 N2 C21 158.0(2) . . . . ?
N1 Yb1 N2 C21 -21.3(3) . . . . ?
O6 Yb1 N2 C27 142.5(3) . . . . ?
O2 Yb1 N2 C27 52.8(2) . . . . ?
O7 Yb1 N2 C27 -30.4(2) . . . . ?
O1 Yb1 N2 C27 -171.5(2) . . . . ?
O3 Yb1 N2 C27 0.0(3) . . . . ?
O5 Yb1 N2 C27 -128.7(3) . . . . ?
O4 Yb1 N2 C27 -81.9(3) . . . . ?
N1 Yb1 N2 C27 98.8(3) . . . . ?
O6 Yb1 N2 C20 -98.7(3) . . . . ?
O2 Yb1 N2 C20 171.5(3) . . . . ?
O7 Yb1 N2 C20 88.4(3) . . . . ?
O1 Yb1 N2 C20 -52.7(3) . . . . ?
O3 Yb1 N2 C20 118.7(2) . . . . ?
O5 Yb1 N2 C20 -10.0(2) . . . . ?
O4 Yb1 N2 C20 36.8(3) . . . . ?
N1 Yb1 N2 C20 -142.5(2) . . . . ?
C7 N1 C1 C2 157.9(3) . . . . ?
C13 N1 C1 C2 -79.4(3) . . . . ?
Yb1 N1 C1 C2 39.4(3) . . . . ?
Yb1 O1 C2 N3 168.3(3) . . . . ?
Yb1 O1 C2 C1 -9.9(5) . . . . ?
C3 N3 C2 O1 -0.7(6) . . . . ?
C3 N3 C2 C1 177.6(4) . . . . ?
N1 C1 C2 O1 -23.6(4) . . . . ?
N1 C1 C2 N3 158.0(3) . . . . ?
C2 N3 C3 C4 63.6(5) . . . . ?
C2 N3 C3 C6 -58.9(5) . . . . ?
C2 N3 C3 C5 -177.3(4) . . . . ?
C1 N1 C7 C8 -154.6(3) . . . . ?
C13 N1 C7 C8 84.5(4) . . . . ?
Yb1 N1 C7 C8 -35.9(3) . . . . ?
Yb1 O2 C8 N4 159.8(3) . . . . ?
Yb1 O2 C8 C7 -20.8(4) . . . . ?
C9 N4 C8 O2 0.7(6) . . . . ?
C9 N4 C8 C7 -178.7(3) . . . . ?
N1 C7 C8 O2 39.7(4) . . . . ?
N1 C7 C8 N4 -140.9(3) . . . . ?
C8 N4 C9 C11 -58.3(6) . . . . ?
C8 N4 C9 C10 -177.5(4) . . . . ?
C8 N4 C9 C12 64.1(5) . . . . ?
C1 N1 C13 C14 159.9(3) . . . . ?
C7 N1 C13 C14 -77.1(4) . . . . ?
Yb1 N1 C13 C14 42.1(4) . . . . ?
C15 O3 C14 C13 -118.2(4) . . . . ?
Yb1 O3 C14 C13 41.6(4) . . . . ?
N1 C13 C14 O3 -54.6(4) . . . . ?
C14 O3 C15 C16 123.2(4) . . . . ?
Yb1 O3 C15 C16 -36.7(5) . . . . ?
C17 O4 C16 C15 170.0(4) . . . . ?
Yb1 O4 C16 C15 -44.3(5) . . . . ?
O3 C15 C16 O4 50.4(5) . . . . ?
C16 O4 C17 C18 -173.8(4) . . . . ?
Yb1 O4 C17 C18 40.6(5) . . . . ?
C19 O5 C18 C17 -177.6(4) . . . . ?
Yb1 O5 C18 C17 42.8(5) . . . . ?
O4 C17 C18 O5 -52.1(5) . . . . ?
C18 O5 C19 C20 -92.1(4) . . . . ?
Yb1 O5 C19 C20 48.1(4) . . . . ?
C21 N2 C20 C19 -81.5(4) . . . . ?
C27 N2 C20 C19 155.8(4) . . . . ?
Yb1 N2 C20 C19 37.6(4) . . . . ?
O5 C19 C20 N2 -56.9(5) . . . . ?
C27 N2 C21 C22 -155.4(3) . . . . ?
C20 N2 C21 C22 83.0(4) . . . . ?
Yb1 N2 C21 C22 -37.1(3) . . . . ?
Yb1 O6 C22 N5 162.4(3) . . . . ?
Yb1 O6 C22 C21 -18.3(4) . . . . ?
C23 N5 C22 O6 0.3(6) . . . . ?
C23 N5 C22 C21 -179.0(3) . . . . ?
N2 C21 C22 O6 38.8(4) . . . . ?
N2 C21 C22 N5 -141.9(3) . . . . ?
C22 N5 C23 C25 -171.4(4) . . . . ?
C22 N5 C23 C26 70.3(5) . . . . ?
C22 N5 C23 C24 -53.5(5) . . . . ?
C21 N2 C27 C28 155.5(3) . . . . ?
C20 N2 C27 C28 -81.6(4) . . . . ?
Yb1 N2 C27 C28 37.3(3) . . . . ?
Yb1 O7 C28 N6 172.2(3) . . . . ?
Yb1 O7 C28 C27 -6.7(5) . . . . ?
C29 N6 C28 O7 1.0(7) . . . . ?
C29 N6 C28 C27 179.9(4) . . . . ?
N2 C27 C28 O7 -24.4(5) . . . . ?
N2 C27 C28 N6 156.6(4) . . . . ?
C28 N6 C29 C30 58.4(6) . . . . ?
C28 N6 C29 C31 -64.0(6) . . . . ?
C28 N6 C29 C32 176.9(5) . . . . ?
