#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:37:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179119 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/81/4308190.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_4308190
loop_
_publ_author_name
'Chengfu Pi'
'Ruiting Liu'
'Pengzhi Zheng'
'Zhenxia Chen'
'Xigeng Zhou'
_publ_section_title
;
Selective Reaction Based on the Linked Diamido Ligands of Dinuclear
Lanthanide Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5252
_journal_page_last               5259
_journal_paper_doi               10.1021/ic070203p
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C33 H41 N3 O2 Yb2'
_chemical_formula_weight         857.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 100.134(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.286(5)
_cell_length_b                   13.357(4)
_cell_length_c                   15.847(5)
_cell_measurement_reflns_used    940
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.892
_cell_measurement_theta_min      3.107
_cell_volume                     3185.1(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0710
_diffrn_reflns_av_sigmaI/netI    0.0825
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13125
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.35
_diffrn_standards_decay_%        11.31
_exptl_absorpt_coefficient_mu    5.868
_exptl_absorpt_correction_T_max  0.4731
_exptl_absorpt_correction_T_min  0.3865
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    1.789
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1664
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.355
_refine_diff_density_min         -0.931
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.889
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5604
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.889
_refine_ls_R_factor_all          0.0599
_refine_ls_R_factor_gt           0.0374
_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)+(0.0253P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0732
_refine_ls_wR_factor_ref         0.0797
_reflns_number_gt                3905
_reflns_number_total             5604
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070203p-file002_1.cif
_cod_data_source_block           f60427a
_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        3185.2(16)
_cod_database_code               4308190
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Yb1 Yb 0.67461(2) -0.13837(2) 0.928070(18) 0.03834(10) Uani 1 1 d . . .
Yb2 Yb 0.86726(2) 0.15461(2) 0.73226(2) 0.04810(12) Uani 1 1 d . . .
N1 N 0.5338(4) -0.1066(4) 0.8560(4) 0.0494(16) Uani 1 1 d . . .
H1 H 0.4837 -0.1352 0.8576 0.059 Uiso 1 1 calc R . .
N2 N 0.7694(4) 0.0675(4) 0.7873(4) 0.0498(16) Uani 1 1 d . . .
H2 H 0.7952 0.0271 0.8260 0.060 Uiso 1 1 calc R . .
N3 N 0.6449(4) -0.0164(4) 0.8162(3) 0.0382(14) Uani 1 1 d . . .
O1 O 0.5868(4) -0.2583(3) 0.9958(3) 0.0574(15) Uani 1 1 d . . .
O2 O 0.8042(4) 0.2982(3) 0.7699(3) 0.0549(15) Uani 1 1 d . . .
C1 C 0.7667(13) -0.0864(11) 1.0769(9) 0.116(7) Uani 1 1 d . . .
H1A H 0.8077 -0.1331 1.1033 0.140 Uiso 1 1 calc R . .
C2 C 0.6827(14) -0.0806(10) 1.0867(6) 0.103(5) Uani 1 1 d . . .
H2A H 0.6544 -0.1225 1.1203 0.123 Uiso 1 1 calc R . .
C3 C 0.6467(8) -0.0054(12) 1.0407(9) 0.093(4) Uani 1 1 d . . .
H3 H 0.5878 0.0148 1.0364 0.111 Uiso 1 1 calc R . .
C4 C 0.7054(15) 0.0378(7) 1.0011(7) 0.100(5) Uani 1 1 d . . .
H4 H 0.6955 0.0934 0.9654 0.120 Uiso 1 1 calc R . .
C5 C 0.7836(11) -0.0134(15) 1.0218(11) 0.123(6) Uani 1 1 d . . .
H5 H 0.8367 -0.0012 1.0026 0.148 Uiso 1 1 calc R . .
C6 C 0.7083(8) -0.2652(7) 0.8118(6) 0.081(3) Uani 1 1 d . . .
H6 H 0.6613 -0.2746 0.7666 0.097 Uiso 1 1 calc R . .
C7 C 0.7222(9) -0.3183(6) 0.8855(8) 0.089(3) Uani 1 1 d . . .
H7 H 0.6876 -0.3712 0.8992 0.107 Uiso 1 1 calc R . .
C8 C 0.7969(9) -0.2796(9) 0.9367(6) 0.095(4) Uani 1 1 d . . .
H8 H 0.8212 -0.3012 0.9917 0.114 Uiso 1 1 calc R . .
C9 C 0.8295(7) -0.2033(8) 0.8922(8) 0.087(3) Uani 1 1 d . . .
H9 H 0.8795 -0.1645 0.9117 0.104 Uiso 1 1 calc R . .
C10 C 0.7747(8) -0.1949(7) 0.8141(7) 0.075(3) Uani 1 1 d . . .
H10 H 0.7811 -0.1501 0.7707 0.090 Uiso 1 1 calc R . .
C11 C 0.9649(8) 0.1352(19) 0.8855(7) 0.101(4) Uani 1 1 d . . .
H11 H 0.9360 0.1327 0.9324 0.121 Uiso 1 1 calc R . .
C12 C 0.9831(10) 0.0572(15) 0.8410(16) 0.122(6) Uani 1 1 d . . .
H12 H 0.9692 -0.0088 0.8519 0.146 Uiso 1 1 calc R . .
C13 C 1.0255(14) 0.088(2) 0.7766(15) 0.180(13) Uani 1 1 d . . .
H13 H 1.0448 0.0474 0.7356 0.217 Uiso 1 1 calc R . .
C14 C 1.0335(11) 0.186(3) 0.7843(16) 0.173(13) Uani 1 1 d . . .
H14 H 1.0608 0.2281 0.7498 0.208 Uiso 1 1 calc R . .
C15 C 0.9936(14) 0.2168(13) 0.8538(16) 0.157(9) Uani 1 1 d . . .
H15 H 0.9887 0.2819 0.8732 0.189 Uiso 1 1 calc R . .
C16 C 0.8654(10) 0.0651(9) 0.5864(6) 0.092(4) Uani 1 1 d . . .
H16 H 0.8847 -0.0011 0.5896 0.111 Uiso 1 1 calc R . .
C17 C 0.7777(8) 0.0981(9) 0.5850(5) 0.085(3) Uani 1 1 d . . .
H17 H 0.7279 0.0586 0.5867 0.102 Uiso 1 1 calc R . .
C18 C 0.7808(8) 0.2016(8) 0.5806(5) 0.076(3) Uani 1 1 d . . .
H18 H 0.7327 0.2447 0.5790 0.091 Uiso 1 1 calc R . .
C19 C 0.8650(9) 0.2295(8) 0.5789(6) 0.081(3) Uani 1 1 d . . .
H19 H 0.8844 0.2951 0.5758 0.098 Uiso 1 1 calc R . .
C20 C 0.9171(8) 0.1476(11) 0.5824(6) 0.098(4) Uani 1 1 d . . .
H20 H 0.9779 0.1474 0.5820 0.118 Uiso 1 1 calc R . .
C21 C 0.5559(5) -0.0276(5) 0.8099(4) 0.0441(18) Uani 1 1 d . . .
C22 C 0.4961(5) 0.0406(5) 0.7620(4) 0.052(2) Uani 1 1 d . . .
H22 H 0.4348 0.0346 0.7577 0.062 Uiso 1 1 calc R . .
C23 C 0.5343(6) 0.1168(6) 0.7223(5) 0.061(2) Uani 1 1 d . . .
H23 H 0.4970 0.1631 0.6900 0.073 Uiso 1 1 calc R . .
C24 C 0.6225(6) 0.1275(5) 0.7277(5) 0.059(2) Uani 1 1 d . . .
H24 H 0.6455 0.1793 0.6989 0.071 Uiso 1 1 calc R . .
C25 C 0.6794(5) 0.0590(5) 0.7776(4) 0.0457(19) Uani 1 1 d . . .
C26 C 0.6202(10) -0.3383(8) 1.0533(8) 0.128(5) Uani 1 1 d . . .
H26A H 0.6714 -0.3157 1.0940 0.153 Uiso 1 1 calc R . .
H26B H 0.6382 -0.3944 1.0215 0.153 Uiso 1 1 calc R . .
C27 C 0.5492(11) -0.3684(12) 1.0981(9) 0.167(7) Uani 1 1 d . . .
H27A H 0.5409 -0.4403 1.0940 0.200 Uiso 1 1 calc R . .
H27B H 0.5644 -0.3506 1.1582 0.200 Uiso 1 1 calc R . .
C28 C 0.4718(11) -0.3204(12) 1.0614(10) 0.189(8) Uani 1 1 d . . .
H28A H 0.4447 -0.2879 1.1051 0.227 Uiso 1 1 calc R . .
H28B H 0.4298 -0.3680 1.0310 0.227 Uiso 1 1 calc R . .
C29 C 0.4965(7) -0.2472(8) 1.0026(6) 0.084(3) Uani 1 1 d . . .
H29A H 0.4596 -0.2556 0.9466 0.101 Uiso 1 1 calc R . .
H29B H 0.4865 -0.1803 1.0230 0.101 Uiso 1 1 calc R . .
C30 C 0.7691(8) 0.3081(6) 0.8491(5) 0.083(3) Uani 1 1 d . . .
H30A H 0.8157 0.2972 0.8983 0.100 Uiso 1 1 calc R . .
H30B H 0.7222 0.2596 0.8508 0.100 Uiso 1 1 calc R . .
C31 C 0.7341(8) 0.4099(7) 0.8502(6) 0.094(4) Uani 1 1 d . . .
H31A H 0.6712 0.4115 0.8266 0.113 Uiso 1 1 calc R . .
H31B H 0.7431 0.4360 0.9082 0.113 Uiso 1 1 calc R . .
C32 C 0.7843(8) 0.4672(7) 0.7975(7) 0.105(4) Uani 1 1 d . . .
H32A H 0.8392 0.4919 0.8312 0.126 Uiso 1 1 calc R . .
H32B H 0.7499 0.5236 0.7712 0.126 Uiso 1 1 calc R . .
C33 C 0.8026(8) 0.3959(6) 0.7318(6) 0.090(3) Uani 1 1 d . . .
H33A H 0.7565 0.3996 0.6813 0.108 Uiso 1 1 calc R . .
H33B H 0.8594 0.4107 0.7152 0.108 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'
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
N1 Yb1 N3 57.7(2) . . ?
N1 Yb1 O1 78.52(19) . . ?
N3 Yb1 O1 136.18(19) . . ?
N1 Yb1 C3 87.8(3) . . ?
N3 Yb1 C3 90.6(5) . . ?
O1 Yb1 C3 88.7(5) . . ?
N1 Yb1 C2 107.8(5) . . ?
N3 Yb1 C2 118.9(4) . . ?
O1 Yb1 C2 73.1(3) . . ?
C3 Yb1 C2 29.0(3) . . ?
N1 Yb1 C1 135.1(4) . . ?
N3 Yb1 C1 119.3(4) . . ?
O1 Yb1 C1 91.6(6) . . ?
C3 Yb1 C1 47.9(3) . . ?
C2 Yb1 C1 29.3(4) . . ?
N1 Yb1 C6 93.0(3) . . ?
N3 Yb1 C6 87.4(3) . . ?
O1 Yb1 C6 94.3(3) . . ?
C3 Yb1 C6 176.9(5) . . ?
C2 Yb1 C6 152.4(5) . . ?
C1 Yb1 C6 131.6(4) . . ?
N1 Yb1 C5 127.7(5) . . ?
N3 Yb1 C5 90.3(6) . . ?
O1 Yb1 C5 120.6(4) . . ?
C3 Yb1 C5 49.0(4) . . ?
C2 Yb1 C5 49.4(4) . . ?
C1 Yb1 C5 30.1(4) . . ?
C6 Yb1 C5 128.7(4) . . ?
N1 Yb1 C4 97.7(4) . . ?
N3 Yb1 C4 73.3(2) . . ?
O1 Yb1 C4 117.5(4) . . ?
C3 Yb1 C4 29.1(3) . . ?
C2 Yb1 C4 48.5(3) . . ?
C1 Yb1 C4 48.7(4) . . ?
C6 Yb1 C4 147.8(5) . . ?
C5 Yb1 C4 30.1(4) . . ?
N1 Yb1 C7 108.6(3) . . ?
N3 Yb1 C7 117.2(3) . . ?
O1 Yb1 C7 73.3(3) . . ?
C3 Yb1 C7 152.1(5) . . ?
C2 Yb1 C7 123.2(5) . . ?
C1 Yb1 C7 110.1(4) . . ?
C6 Yb1 C7 29.8(3) . . ?
C5 Yb1 C7 123.3(6) . . ?
C4 Yb1 C7 153.4(5) . . ?
N1 Yb1 C8 138.8(3) . . ?
N3 Yb1 C8 124.4(3) . . ?
O1 Yb1 C8 87.0(4) . . ?
C3 Yb1 C8 130.6(4) . . ?
C2 Yb1 C8 104.3(5) . . ?
C1 Yb1 C8 83.1(4) . . ?
C6 Yb1 C8 49.5(3) . . ?
C5 Yb1 C8 93.0(6) . . ?
C4 Yb1 C8 123.1(5) . . ?
C7 Yb1 C8 30.3(3) . . ?
N1 Yb1 C10 108.3(3) . . ?
N3 Yb1 C10 75.4(2) . . ?
O1 Yb1 C10 122.2(3) . . ?
C3 Yb1 C10 146.9(5) . . ?
C2 Yb1 C10 142.9(5) . . ?
C1 Yb1 C10 113.7(5) . . ?
C6 Yb1 C10 30.2(3) . . ?
C5 Yb1 C10 100.4(4) . . ?
C4 Yb1 C10 118.1(5) . . ?
C7 Yb1 C10 49.6(3) . . ?
C8 Yb1 C10 49.4(3) . . ?
N2 Yb2 O2 89.6(2) . . ?
N2 Yb2 C13 112.5(9) . . ?
O2 Yb2 C13 130.3(6) . . ?
N2 Yb2 C14 131.8(5) . . ?
O2 Yb2 C14 102.6(9) . . ?
C13 Yb2 C14 30.0(6) . . ?
N2 Yb2 C12 84.5(4) . . ?
O2 Yb2 C12 121.4(7) . . ?
C13 Yb2 C12 30.7(5) . . ?
C14 Yb2 C12 49.2(6) . . ?
N2 Yb2 C16 102.0(4) . . ?
O2 Yb2 C16 133.1(3) . . ?
C13 Yb2 C16 86.9(5) . . ?
C14 Yb2 C16 102.5(8) . . ?
C12 Yb2 C16 105.0(7) . . ?
N2 Yb2 C17 85.1(3) . . ?
O2 Yb2 C17 107.4(3) . . ?
C13 Yb2 C17 117.9(5) . . ?
C14 Yb2 C17 132.2(7) . . ?
C12 Yb2 C17 129.9(7) . . ?
C16 Yb2 C17 31.4(3) . . ?
N2 Yb2 C18 102.9(3) . . ?
O2 Yb2 C18 82.5(2) . . ?
C13 Yb2 C18 129.7(7) . . ?
C14 Yb2 C18 124.7(5) . . ?
C12 Yb2 C18 155.4(7) . . ?
C16 Yb2 C18 50.7(3) . . ?
C17 Yb2 C18 30.9(3) . . ?
N2 Yb2 C15 110.1(7) . . ?
O2 Yb2 C15 80.3(4) . . ?
C13 Yb2 C15 50.8(7) . . ?
C14 Yb2 C15 31.6(5) . . ?
C12 Yb2 C15 48.7(5) . . ?
C16 Yb2 C15 133.9(7) . . ?
C17 Yb2 C15 163.4(8) . . ?
C18 Yb2 C15 142.4(7) . . ?
N2 Yb2 C20 132.0(3) . . ?
O2 Yb2 C20 118.2(3) . . ?
C13 Yb2 C20 79.9(7) . . ?
C14 Yb2 C20 82.4(7) . . ?
C12 Yb2 C20 108.1(7) . . ?
C16 Yb2 C20 30.3(3) . . ?
C17 Yb2 C20 50.8(4) . . ?
C18 Yb2 C20 49.8(3) . . ?
C15 Yb2 C20 112.6(8) . . ?
N2 Yb2 C19 132.2(3) . . ?
O2 Yb2 C19 89.1(3) . . ?
C13 Yb2 C19 104.2(8) . . ?
C14 Yb2 C19 94.9(5) . . ?
C12 Yb2 C19 134.7(7) . . ?
C16 Yb2 C19 49.8(3) . . ?
C17 Yb2 C19 50.2(3) . . ?
C18 Yb2 C19 29.8(3) . . ?
C15 Yb2 C19 116.7(8) . . ?
C20 Yb2 C19 29.8(3) . . ?
N2 Yb2 C11 84.1(4) . . ?
O2 Yb2 C11 92.2(5) . . ?
C13 Yb2 C11 49.9(5) . . ?
C14 Yb2 C11 49.5(5) . . ?
C12 Yb2 C11 29.1(4) . . ?
C16 Yb2 C11 133.8(5) . . ?
C17 Yb2 C11 157.4(6) . . ?
C18 Yb2 C11 171.1(6) . . ?
C15 Yb2 C11 28.9(4) . . ?
C20 Yb2 C11 128.7(4) . . ?
C19 Yb2 C11 143.7(5) . . ?
C21 N1 Yb1 96.4(4) . . ?
C21 N1 H1 131.8 . . ?
Yb1 N1 H1 131.8 . . ?
C25 N2 Yb2 138.2(5) . . ?
C25 N2 H2 110.9 . . ?
Yb2 N2 H2 110.9 . . ?
C25 N3 C21 121.5(6) . . ?
C25 N3 Yb1 144.6(5) . . ?
C21 N3 Yb1 92.1(4) . . ?
C29 O1 C26 105.8(8) . . ?
C29 O1 Yb1 125.6(5) . . ?
C26 O1 Yb1 127.0(7) . . ?
C33 O2 C30 107.3(6) . . ?
C33 O2 Yb2 129.3(5) . . ?
C30 O2 Yb2 122.8(4) . . ?
C2 C1 C5 109.3(12) . . ?
C2 C1 Yb1 75.1(6) . . ?
C5 C1 Yb1 75.3(6) . . ?
C2 C1 H1A 125.3 . . ?
C5 C1 H1A 125.3 . . ?
Yb1 C1 H1A 116.2 . . ?
C3 C2 C1 107.6(14) . . ?
C3 C2 Yb1 75.3(6) . . ?
C1 C2 Yb1 75.6(7) . . ?
C3 C2 H2A 126.2 . . ?
C1 C2 H2A 126.2 . . ?
Yb1 C2 H2A 115.2 . . ?
C2 C3 C4 110.4(13) . . ?
C2 C3 Yb1 75.8(6) . . ?
C4 C3 Yb1 76.4(6) . . ?
C2 C3 H3 124.8 . . ?
C4 C3 H3 124.8 . . ?
Yb1 C3 H3 114.9 . . ?
C3 C4 C5 107.9(11) . . ?
C3 C4 Yb1 74.5(6) . . ?
C5 C4 Yb1 74.8(6) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 H4 126.1 . . ?
Yb1 C4 H4 116.7 . . ?
C1 C5 C4 104.8(12) . . ?
C1 C5 Yb1 74.6(6) . . ?
C4 C5 Yb1 75.0(6) . . ?
C1 C5 H5 127.6 . . ?
C4 C5 H5 127.6 . . ?
Yb1 C5 H5 115.4 . . ?
C7 C6 C10 109.4(10) . . ?
C7 C6 Yb1 75.6(5) . . ?
C10 C6 Yb1 77.1(5) . . ?
C7 C6 H6 125.3 . . ?
C10 C6 H6 125.3 . . ?
Yb1 C6 H6 114.1 . . ?
C6 C7 C8 107.4(10) . . ?
C6 C7 Yb1 74.6(5) . . ?
C8 C7 Yb1 75.2(5) . . ?
C6 C7 H7 126.3 . . ?
C8 C7 H7 126.3 . . ?
Yb1 C7 H7 116.1 . . ?
C7 C8 C9 108.2(9) . . ?
C7 C8 Yb1 74.4(6) . . ?
C9 C8 Yb1 76.2(5) . . ?
C7 C8 H8 125.9 . . ?
C9 C8 H8 125.9 . . ?
Yb1 C8 H8 115.6 . . ?
C10 C9 C8 107.6(10) . . ?
C10 C9 Yb1 75.1(6) . . ?
C8 C9 Yb1 73.7(6) . . ?
C10 C9 H9 126.2 . . ?
C8 C9 H9 126.2 . . ?
Yb1 C9 H9 117.1 . . ?
C9 C10 C6 107.4(10) . . ?
C9 C10 Yb1 75.2(6) . . ?
C6 C10 Yb1 72.8(5) . . ?
C9 C10 H10 126.3 . . ?
C6 C10 H10 126.3 . . ?
Yb1 C10 H10 117.8 . . ?
C15 C11 C12 109.7(15) . . ?
C15 C11 Yb2 74.8(7) . . ?
C12 C11 Yb2 73.9(7) . . ?
C15 C11 H11 125.1 . . ?
C12 C11 H11 125.1 . . ?
Yb2 C11 H11 118.0 . . ?
C11 C12 C13 109.8(18) . . ?
C11 C12 Yb2 77.0(7) . . ?
C13 C12 Yb2 73.2(8) . . ?
C11 C12 H12 125.1 . . ?
C13 C12 H12 125.1 . . ?
Yb2 C12 H12 116.5 . . ?
C14 C13 C12 106(2) . . ?
C14 C13 Yb2 75.3(11) . . ?
C12 C13 Yb2 76.1(9) . . ?
C14 C13 H13 127.0 . . ?
C12 C13 H13 127.0 . . ?
Yb2 C13 H13 114.3 . . ?
C13 C14 C15 108(2) . . ?
C13 C14 Yb2 74.7(11) . . ?
C15 C14 Yb2 76.0(8) . . ?
C13 C14 H14 125.9 . . ?
C15 C14 H14 125.9 . . ?
Yb2 C14 H14 115.6 . . ?
C11 C15 C14 106.2(18) . . ?
C11 C15 Yb2 76.3(7) . . ?
C14 C15 Yb2 72.4(8) . . ?
C11 C15 H15 126.9 . . ?
C14 C15 H15 126.9 . . ?
Yb2 C15 H15 116.7 . . ?
C20 C16 C17 107.7(10) . . ?
C20 C16 Yb2 75.8(6) . . ?
C17 C16 Yb2 74.4(5) . . ?
C20 C16 H16 126.2 . . ?
C17 C16 H16 126.2 . . ?
Yb2 C16 H16 115.9 . . ?
C18 C17 C16 105.8(11) . . ?
C18 C17 Yb2 74.8(5) . . ?
C16 C17 Yb2 74.2(5) . . ?
C18 C17 H17 127.1 . . ?
C16 C17 H17 127.1 . . ?
Yb2 C17 H17 116.3 . . ?
C19 C18 C17 108.6(11) . . ?
C19 C18 Yb2 75.7(6) . . ?
C17 C18 Yb2 74.3(5) . . ?
C19 C18 H18 125.7 . . ?
C17 C18 H18 125.7 . . ?
Yb2 C18 H18 116.3 . . ?
C18 C19 C20 109.6(11) . . ?
C18 C19 Yb2 74.5(6) . . ?
C20 C19 Yb2 75.0(6) . . ?
C18 C19 H19 125.2 . . ?
C20 C19 H19 125.2 . . ?
Yb2 C19 H19 117.1 . . ?
C19 C20 C16 108.3(11) . . ?
C19 C20 Yb2 75.2(6) . . ?
C16 C20 Yb2 73.9(6) . . ?
C19 C20 H20 125.8 . . ?
C16 C20 H20 125.8 . . ?
Yb2 C20 H20 117.1 . . ?
N3 C21 N1 112.8(6) . . ?
N3 C21 C22 121.0(7) . . ?
N1 C21 C22 126.2(7) . . ?
C23 C22 C21 115.7(7) . . ?
C23 C22 H22 122.1 . . ?
C21 C22 H22 122.1 . . ?
C24 C23 C22 123.4(7) . . ?
C24 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
C23 C24 C25 118.7(8) . . ?
C23 C24 H24 120.6 . . ?
C25 C24 H24 120.6 . . ?
N3 C25 N2 119.0(6) . . ?
N3 C25 C24 119.6(7) . . ?
N2 C25 C24 121.4(7) . . ?
O1 C26 C27 107.6(11) . . ?
O1 C26 H26A 110.2 . . ?
C27 C26 H26A 110.2 . . ?
O1 C26 H26B 110.2 . . ?
C27 C26 H26B 110.2 . . ?
H26A C26 H26B 108.5 . . ?
C28 C27 C26 108.9(11) . . ?
C28 C27 H27A 109.9 . . ?
C26 C27 H27A 109.9 . . ?
C28 C27 H27B 109.9 . . ?
C26 C27 H27B 109.9 . . ?
H27A C27 H27B 108.3 . . ?
C27 C28 C29 106.6(13) . . ?
C27 C28 H28A 110.4 . . ?
C29 C28 H28A 110.4 . . ?
C27 C28 H28B 110.4 . . ?
C29 C28 H28B 110.4 . . ?
H28A C28 H28B 108.6 . . ?
O1 C29 C28 110.3(9) . . ?
O1 C29 H29A 109.6 . . ?
C28 C29 H29A 109.6 . . ?
O1 C29 H29B 109.6 . . ?
C28 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
O2 C30 C31 106.7(7) . . ?
O2 C30 H30A 110.4 . . ?
C31 C30 H30A 110.4 . . ?
O2 C30 H30B 110.4 . . ?
C31 C30 H30B 110.4 . . ?
H30A C30 H30B 108.6 . . ?
C32 C31 C30 104.6(9) . . ?
C32 C31 H31A 110.8 . . ?
C30 C31 H31A 110.8 . . ?
C32 C31 H31B 110.8 . . ?
C30 C31 H31B 110.8 . . ?
H31A C31 H31B 108.9 . . ?
C31 C32 C33 104.6(7) . . ?
C31 C32 H32A 110.8 . . ?
C33 C32 H32A 110.8 . . ?
C31 C32 H32B 110.8 . . ?
C33 C32 H32B 110.8 . . ?
H32A C32 H32B 108.9 . . ?
O2 C33 C32 106.4(7) . . ?
O2 C33 H33A 110.4 . . ?
C32 C33 H33A 110.4 . . ?
O2 C33 H33B 110.4 . . ?
C32 C33 H33B 110.4 . . ?
H33A C33 H33B 108.6 . . ?
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 N1 2.291(6) . ?
Yb1 N3 2.392(5) . ?
Yb1 O1 2.454(5) . ?
Yb1 C3 2.606(9) . ?
Yb1 C2 2.612(9) . ?
Yb1 C1 2.618(9) . ?
Yb1 C6 2.620(8) . ?
Yb1 C5 2.626(9) . ?
Yb1 C4 2.629(8) . ?
Yb1 C7 2.633(8) . ?
Yb1 C8 2.643(9) . ?
Yb1 C10 2.673(9) . ?
Yb2 N2 2.194(6) . ?
Yb2 O2 2.272(5) . ?
Yb2 C13 2.558(15) . ?
Yb2 C14 2.565(15) . ?
Yb2 C12 2.593(10) . ?
Yb2 C16 2.598(9) . ?
Yb2 C17 2.601(8) . ?
Yb2 C18 2.608(8) . ?
Yb2 C15 2.612(11) . ?
Yb2 C20 2.621(10) . ?
Yb2 C19 2.623(9) . ?
Yb2 C11 2.630(10) . ?
N1 C21 1.360(8) . ?
N1 H1 0.8600 . ?
N2 C25 1.362(9) . ?
N2 H2 0.8600 . ?
N3 C25 1.334(8) . ?
N3 C21 1.354(9) . ?
O1 C29 1.413(10) . ?
O1 C26 1.438(9) . ?
O2 C33 1.436(8) . ?
O2 C30 1.456(10) . ?
C1 C2 1.322(17) . ?
C1 C5 1.363(17) . ?
C1 H1A 0.9300 . ?
C2 C3 1.305(14) . ?
C2 H2A 0.9300 . ?
C3 C4 1.316(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.366(17) . ?
C4 H4 0.9300 . ?
C5 H5 0.9300 . ?
C6 C7 1.351(12) . ?
C6 C10 1.378(13) . ?
C6 H6 0.9300 . ?
C7 C8 1.380(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.382(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.372(12) . ?
C9 H9 0.9300 . ?
C10 H10 0.9300 . ?
C11 C15 1.308(18) . ?
C11 C12 1.314(18) . ?
C11 H11 0.9300 . ?
C12 C13 1.36(2) . ?
C12 H12 0.9300 . ?
C13 C14 1.33(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.41(2) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 C20 1.364(14) . ?
C16 C17 1.409(14) . ?
C16 H16 0.9300 . ?
C17 C18 1.386(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.345(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.348(13) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C22 1.414(9) . ?
C22 C23 1.379(10) . ?
C22 H22 0.9300 . ?
C23 C24 1.344(11) . ?
C23 H23 0.9300 . ?
C24 C25 1.407(9) . ?
C24 H24 0.9300 . ?
C26 C27 1.455(18) . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C27 C28 1.380(17) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C28 C29 1.445(13) . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 C31 1.461(11) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.449(12) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.473(11) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
