#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/75/4337533.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_4337533
loop_
_publ_author_name
'Yang, Sheng'
'Nie, Kun'
'Zhang, Yong'
'Xue, Mingqiang'
'Yao, Yingming'
'Shen, Qi'
_publ_section_title
;
 New [ONOO]-type amine bis(phenolate) ytterbium(II) and -(III) complexes:
 synthesis, structure, and catalysis for highly heteroselective
 polymerization of rac-lactide.
;
_journal_issue                   1
_journal_name_full               'Inorganic chemistry'
_journal_page_first              105
_journal_page_last               115
_journal_paper_doi               10.1021/ic401747n
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C35 H53 N3 O3 Yb, 0.5(C7 H8)'
_chemical_formula_sum            'C38.5 H57 N3 O3 Yb'
_chemical_formula_weight         782.91
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 104.584(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.552(4)
_cell_length_b                   17.092(5)
_cell_length_c                   17.402(6)
_cell_measurement_reflns_used    18440
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      3.0
_cell_volume                     3901(2)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0398
_diffrn_reflns_av_sigmaI/netI    0.0685
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18686
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.11
_exptl_absorpt_coefficient_mu    2.434
_exptl_absorpt_correction_T_max  0.478
_exptl_absorpt_correction_T_min  0.213
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.333
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1612
_exptl_crystal_size_max          0.90
_exptl_crystal_size_mid          0.80
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.270
_refine_diff_density_min         -3.240
_refine_diff_density_rms         0.253
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.142
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         7240
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.189
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0548
_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)+(0.1403P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.2295
_reflns_number_gt                5143
_reflns_number_total             7240
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401747n_si_001.cif
_cod_data_source_block           compound2
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C38.50 H57 N3 O3 Yb'
_cod_database_code               4337533
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
Yb1 Yb 0.15147(3) 0.22722(2) 0.06397(2) 0.0308(2) Uani 1 1 d .
O1 O 0.3066(5) 0.2171(4) 0.1397(4) 0.0417(17) Uani 1 1 d .
O2 O 0.0476(5) 0.2691(3) 0.1371(4) 0.0351(15) Uani 1 1 d .
O3 O 0.0013(5) 0.1346(4) -0.0125(4) 0.0510(19) Uani 1 1 d .
N1 N 0.1404(5) 0.1029(4) 0.1444(4) 0.0269(15) Uani 1 1 d .
N2 N 0.1640(8) 0.3604(5) -0.0031(6) 0.060(2) Uani 1 1 d .
N3 N 0.2140(8) 0.2032(7) -0.0656(5) 0.060(3) Uani 1 1 d .
C1 C 0.3591(7) 0.1801(7) 0.2020(5) 0.040(2) Uani 1 1 d .
C2 C 0.4459(7) 0.2091(7) 0.2558(6) 0.041(2) Uani 1 1 d .
C3 C 0.4953(7) 0.1659(8) 0.3210(7) 0.058(3) Uani 1 1 d .
H3 H 0.5520 0.1881 0.3569 0.070 Uiso 1 1 calc R
C4 C 0.4646(8) 0.0898(6) 0.3365(6) 0.046(3) Uani 1 1 d .
C5 C 0.3827(8) 0.0636(6) 0.2838(6) 0.042(2) Uani 1 1 d .
H5 H 0.3597 0.0133 0.2926 0.051 Uiso 1 1 calc R
C6 C 0.3283(6) 0.1024(6) 0.2178(5) 0.038(2) Uani 1 1 d .
C7 C -0.0115(7) 0.2368(5) 0.1772(6) 0.032(2) Uani 1 1 d .
C8 C -0.1056(9) 0.2703(5) 0.1823(7) 0.039(2) Uani 1 1 d .
C9 C -0.1662(9) 0.2295(6) 0.2226(8) 0.049(3) Uani 1 1 d .
H9 H -0.2277 0.2527 0.2264 0.059 Uiso 1 1 calc R
C10 C -0.1415(8) 0.1565(7) 0.2573(7) 0.049(3) Uani 1 1 d .
C11 C -0.0486(7) 0.1268(6) 0.2543(6) 0.041(2) Uani 1 1 d .
H11 H -0.0277 0.0787 0.2791 0.049 Uiso 1 1 calc R
C12 C 0.0158(7) 0.1648(5) 0.2160(5) 0.0300(19) Uani 1 1 d .
C13 C 0.2401(7) 0.0612(6) 0.1611(6) 0.041(2) Uani 1 1 d .
H13A H 0.2583 0.0529 0.1107 0.050 Uiso 1 1 calc R
H13B H 0.2315 0.0096 0.1831 0.050 Uiso 1 1 calc R
C14 C 0.1203(7) 0.1298(5) 0.2205(5) 0.0318(19) Uani 1 1 d .
H14A H 0.1720 0.1690 0.2439 0.038 Uiso 1 1 calc R
H14B H 0.1301 0.0852 0.2570 0.038 Uiso 1 1 calc R
C15 C 0.0585(7) 0.0502(6) 0.1006(5) 0.037(2) Uani 1 1 d .
H15A H 0.0321 0.0201 0.1391 0.045 Uiso 1 1 calc R
H15B H 0.0876 0.0130 0.0695 0.045 Uiso 1 1 calc R
C16 C -0.0273(8) 0.0922(4) 0.0466(5) 0.036(2) Uani 1 1 d .
C17 C -0.1280(8) 0.0962(7) 0.0349(7) 0.055(3) Uani 1 1 d .
H17 H -0.1669 0.0725 0.0662 0.066 Uiso 1 1 calc R
C18 C -0.1660(10) 0.1433(8) -0.0341(8) 0.068(4) Uani 1 1 d .
H18 H -0.2346 0.1566 -0.0560 0.081 Uiso 1 1 calc R
C19 C -0.0864(11) 0.1655(9) -0.0619(8) 0.072(4) Uani 1 1 d .
H19 H -0.0897 0.1965 -0.1071 0.086 Uiso 1 1 calc R
C20 C 0.4828(8) 0.2941(8) 0.2423(6) 0.049(3) Uani 1 1 d .
C21 C 0.5811(9) 0.3140(8) 0.3035(7) 0.056(3) Uani 1 1 d .
H21A H 0.5697 0.3115 0.3563 0.084 Uiso 1 1 calc R
H21B H 0.6027 0.3664 0.2937 0.084 Uiso 1 1 calc R
H21C H 0.6337 0.2768 0.2996 0.084 Uiso 1 1 calc R
C22 C 0.4028(9) 0.3532(8) 0.2485(7) 0.058(3) Uani 1 1 d .
H22A H 0.3378 0.3381 0.2137 0.087 Uiso 1 1 calc R
H22B H 0.4222 0.4043 0.2329 0.087 Uiso 1 1 calc R
H22C H 0.3968 0.3554 0.3028 0.087 Uiso 1 1 calc R
C23 C 0.5057(8) 0.2969(7) 0.1611(7) 0.049(3) Uani 1 1 d .
H23A H 0.5604 0.2607 0.1600 0.073 Uiso 1 1 calc R
H23B H 0.5262 0.3495 0.1510 0.073 Uiso 1 1 calc R
H23C H 0.4451 0.2824 0.1206 0.073 Uiso 1 1 calc R
C24 C 0.5245(12) 0.0485(9) 0.4082(9) 0.099(6) Uani 1 1 d .
H24A H 0.5096 0.0712 0.4552 0.148 Uiso 1 1 calc R
H24B H 0.5967 0.0539 0.4114 0.148 Uiso 1 1 calc R
H24C H 0.5063 -0.0065 0.4049 0.148 Uiso 1 1 calc R
C25 C -0.1374(8) 0.3520(5) 0.1446(7) 0.043(2) Uani 1 1 d .
C26 C -0.2347(11) 0.3809(8) 0.1628(11) 0.091(5) Uani 1 1 d .
H26A H -0.2232 0.3887 0.2196 0.136 Uiso 1 1 calc R
H26B H -0.2882 0.3424 0.1451 0.136 Uiso 1 1 calc R
H26C H -0.2550 0.4300 0.1355 0.136 Uiso 1 1 calc R
C27 C -0.1552(9) 0.3452(7) 0.0537(7) 0.058(3) Uani 1 1 d .
H27A H -0.1690 0.3966 0.0299 0.087 Uiso 1 1 calc R
H27B H -0.2129 0.3111 0.0328 0.087 Uiso 1 1 calc R
H27C H -0.0948 0.3236 0.0414 0.087 Uiso 1 1 calc R
C28 C -0.0532(10) 0.4093(6) 0.1782(7) 0.056(3) Uani 1 1 d .
H28A H 0.0098 0.3911 0.1675 0.084 Uiso 1 1 calc R
H28B H -0.0444 0.4138 0.2351 0.084 Uiso 1 1 calc R
H28C H -0.0707 0.4601 0.1536 0.084 Uiso 1 1 calc R
C29 C -0.2114(10) 0.1161(8) 0.3003(9) 0.074(4) Uani 1 1 d .
H29A H -0.1932 0.1315 0.3557 0.110 Uiso 1 1 calc R
H29B H -0.2045 0.0599 0.2963 0.110 Uiso 1 1 calc R
H29C H -0.2814 0.1311 0.2763 0.110 Uiso 1 1 calc R
C30 C 0.1965(10) 0.3460(7) -0.0774(7) 0.062(3) Uani 1 1 d .
H30A H 0.2321 0.3925 -0.0896 0.075 Uiso 1 1 calc R
H30B H 0.1358 0.3382 -0.1211 0.075 Uiso 1 1 calc R
C31 C 0.2649(11) 0.2767(9) -0.0725(9) 0.078(5) Uani 1 1 d .
H31A H 0.2910 0.2751 -0.1202 0.094 Uiso 1 1 calc R
H31B H 0.3234 0.2827 -0.0265 0.094 Uiso 1 1 calc R
C32 C 0.2395(10) 0.4109(6) 0.0538(7) 0.060(2) Uani 1 1 d .
H32A H 0.3020 0.3817 0.0744 0.090 Uiso 1 1 calc R
H32B H 0.2111 0.4264 0.0974 0.090 Uiso 1 1 calc R
H32C H 0.2541 0.4572 0.0264 0.090 Uiso 1 1 calc R
C33 C 0.0688(11) 0.4050(8) -0.0222(8) 0.074(4) Uani 1 1 d .
H33A H 0.0526 0.4214 0.0266 0.111 Uiso 1 1 calc R
H33B H 0.0142 0.3724 -0.0526 0.111 Uiso 1 1 calc R
H33C H 0.0766 0.4507 -0.0532 0.111 Uiso 1 1 calc R
C34 C 0.2952(13) 0.1425(12) -0.0412(8) 0.098(4) Uani 1 1 d .
H34A H 0.2639 0.0914 -0.0416 0.147 Uiso 1 1 calc R
H34B H 0.3360 0.1540 0.0119 0.147 Uiso 1 1 calc R
H34C H 0.3384 0.1427 -0.0780 0.147 Uiso 1 1 calc R
C35 C 0.1438(13) 0.1806(12) -0.1387(8) 0.098(4) Uani 1 1 d .
H35A H 0.1777 0.1829 -0.1815 0.147 Uiso 1 1 calc R
H35B H 0.0859 0.2159 -0.1500 0.147 Uiso 1 1 calc R
H35C H 0.1204 0.1276 -0.1339 0.147 Uiso 1 1 calc R
C36 C 0.518(2) 1.0235(17) 1.0443(17) 0.092(9) Uiso 0.50 1 d PD
C37 C 0.445(3) 0.9649(18) 1.032(3) 0.09(2) Uiso 0.50 1 d PD
C38 C 0.412(3) 0.9199(19) 0.9627(19) 0.113(12) Uiso 0.50 1 d PD
C39 C 0.463(2) 0.9417(17) 0.8914(16) 0.076(9) Uiso 0.50 1 d PD
C40 C 0.534(2) 0.9994(18) 0.9069(17) 0.089(9) Uiso 0.50 1 d PD
C41 C 0.562(3) 1.036(2) 0.980(2) 0.10(3) Uiso 0.50 1 d PD
C42 C 0.565(5) 1.077(3) 1.114(3) 0.24(4) Uiso 0.50 1 d PD
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
O1 Yb1 O2 109.2(3) . .
O1 Yb1 N1 77.6(2) . .
O2 Yb1 N1 79.9(2) . .
O1 Yb1 N2 100.3(3) . .
O2 Yb1 N2 95.6(3) . .
N1 Yb1 N2 173.9(3) . .
O1 Yb1 N3 92.0(3) . .
O2 Yb1 N3 157.0(3) . .
N1 Yb1 N3 114.4(3) . .
N2 Yb1 N3 71.3(4) . .
O1 Yb1 O3 138.9(2) . .
O2 Yb1 O3 87.9(2) . .
N1 Yb1 O3 68.7(2) . .
N2 Yb1 O3 115.4(3) . .
N3 Yb1 O3 81.3(3) . .
C1 O1 Yb1 141.3(6) . .
C7 O2 Yb1 136.4(5) . .
C19 O3 C16 107.6(10) . .
C19 O3 Yb1 121.0(7) . .
C16 O3 Yb1 105.1(5) . .
C15 N1 C13 109.6(7) . .
C15 N1 C14 111.3(7) . .
C13 N1 C14 109.5(6) . .
C15 N1 Yb1 111.2(5) . .
C13 N1 Yb1 109.1(6) . .
C14 N1 Yb1 106.1(5) . .
C33 N2 C30 109.0(9) . .
C33 N2 C32 105.4(10) . .
C30 N2 C32 111.4(10) . .
C33 N2 Yb1 114.0(7) . .
C30 N2 Yb1 108.3(6) . .
C32 N2 Yb1 108.7(6) . .
C35 N3 C31 112.4(12) . .
C35 N3 C34 109.9(12) . .
C31 N3 C34 107.0(13) . .
C35 N3 Yb1 121.1(9) . .
C31 N3 Yb1 101.4(8) . .
C34 N3 Yb1 103.8(7) . .
O1 C1 C2 125.3(10) . .
O1 C1 C6 119.0(8) . .
C2 C1 C6 115.7(9) . .
C3 C2 C1 120.9(11) . .
C3 C2 C20 120.8(9) . .
C1 C2 C20 118.2(9) . .
C2 C3 C4 123.1(10) . .
C2 C3 H3 118.5 . .
C4 C3 H3 118.5 . .
C5 C4 C3 114.4(9) . .
C5 C4 C24 127.3(10) . .
C3 C4 C24 118.2(10) . .
C4 C5 C6 126.6(10) . .
C4 C5 H5 116.7 . .
C6 C5 H5 116.7 . .
C5 C6 C1 119.2(9) . .
C5 C6 C13 119.3(10) . .
C1 C6 C13 121.5(8) . .
O2 C7 C12 120.2(8) . .
O2 C7 C8 122.8(8) . .
C12 C7 C8 117.0(8) . .
C9 C8 C7 118.8(9) . .
C9 C8 C25 121.7(10) . .
C7 C8 C25 119.5(9) . .
C10 C9 C8 124.0(11) . .
C10 C9 H9 118.0 . .
C8 C9 H9 118.0 . .
C11 C10 C9 116.0(10) . .
C11 C10 C29 123.1(11) . .
C9 C10 C29 120.8(11) . .
C10 C11 C12 122.8(10) . .
C10 C11 H11 118.6 . .
C12 C11 H11 118.6 . .
C11 C12 C7 121.3(9) . .
C11 C12 C14 118.9(8) . .
C7 C12 C14 119.8(8) . .
N1 C13 C6 115.6(8) . .
N1 C13 H13A 108.4 . .
C6 C13 H13A 108.4 . .
N1 C13 H13B 108.4 . .
C6 C13 H13B 108.4 . .
H13A C13 H13B 107.4 . .
N1 C14 C12 116.9(7) . .
N1 C14 H14A 108.1 . .
C12 C14 H14A 108.1 . .
N1 C14 H14B 108.1 . .
C12 C14 H14B 108.1 . .
H14A C14 H14B 107.3 . .
N1 C15 C16 113.4(8) . .
N1 C15 H15A 108.9 . .
C16 C15 H15A 108.9 . .
N1 C15 H15B 108.9 . .
C16 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
C17 C16 O3 109.0(9) . .
C17 C16 C15 137.1(10) . .
O3 C16 C15 113.7(9) . .
C16 C17 C18 107.3(12) . .
C16 C17 H17 126.4 . .
C18 C17 H17 126.4 . .
C19 C18 C17 108.0(11) . .
C19 C18 H18 126.0 . .
C17 C18 H18 126.0 . .
C18 C19 O3 108.1(12) . .
C18 C19 H19 126.0 . .
O3 C19 H19 126.0 . .
C22 C20 C21 108.6(10) . .
C22 C20 C23 111.3(10) . .
C21 C20 C23 107.2(9) . .
C22 C20 C2 110.3(9) . .
C21 C20 C2 111.0(9) . .
C23 C20 C2 108.4(9) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C4 C24 H24A 109.5 . .
C4 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C4 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C28 C25 C26 108.8(10) . .
C28 C25 C27 110.7(9) . .
C26 C25 C27 108.7(11) . .
C28 C25 C8 108.5(9) . .
C26 C25 C8 111.5(9) . .
C27 C25 C8 108.6(9) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C10 C29 H29A 109.5 . .
C10 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C10 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
N2 C30 C31 113.4(9) . .
N2 C30 H30A 108.9 . .
C31 C30 H30A 108.9 . .
N2 C30 H30B 108.9 . .
C31 C30 H30B 108.9 . .
H30A C30 H30B 107.7 . .
N3 C31 C30 112.9(12) . .
N3 C31 H31A 109.0 . .
C30 C31 H31A 109.0 . .
N3 C31 H31B 109.0 . .
C30 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
N2 C32 H32A 109.5 . .
N2 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
N2 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
N2 C33 H33A 109.5 . .
N2 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
N2 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
N3 C34 H34A 109.5 . .
N3 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
N3 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N3 C35 H35A 109.5 . .
N3 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
N3 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C39 C36 C40 65(2) 3_677 3_677
C39 C36 C38 76(2) 3_677 3_677
C40 C36 C38 140(3) 3_677 3_677
C39 C36 C37 118(3) 3_677 .
C40 C36 C37 53(2) 3_677 .
C38 C36 C37 166(3) 3_677 .
C39 C36 C41 128(2) 3_677 .
C40 C36 C41 167(2) 3_677 .
C38 C36 C41 52.4(18) 3_677 .
C37 C36 C41 114(3) . .
C39 C36 C41 124(4) 3_677 3_677
C40 C36 C41 59(2) 3_677 3_677
C38 C36 C41 159(3) 3_677 3_677
C37 C36 C41 8(2) . 3_677
C41 C36 C41 108(3) . 3_677
C39 C36 C42 17(3) 3_677 .
C40 C36 C42 81(3) 3_677 .
C38 C36 C42 59(3) 3_677 .
C37 C36 C42 134(3) . .
C41 C36 C42 111(3) . .
C41 C36 C42 141(4) 3_677 .
C39 C36 C37 133(4) 3_677 3_677
C40 C36 C37 162(3) 3_677 3_677
C38 C36 C37 57(2) 3_677 3_677
C37 C36 C37 109(3) . 3_677
C41 C36 C37 6(2) . 3_677
C41 C36 C37 103(3) 3_677 3_677
C42 C36 C37 116(3) . 3_677
C39 C36 C36 175(4) 3_677 3_677
C40 C36 C36 112(3) 3_677 3_677
C38 C36 C36 107(3) 3_677 3_677
C37 C36 C36 59(3) . 3_677
C41 C36 C36 55(3) . 3_677
C41 C36 C36 52.5(17) 3_677 3_677
C42 C36 C36 167(4) . 3_677
C37 C36 C36 50.2(15) 3_677 3_677
C41 C37 C40 151(10) 3_677 3_677
C41 C37 C36 110(10) 3_677 .
C40 C37 C36 60(2) 3_677 .
C41 C37 C38 29(10) 3_677 .
C40 C37 C38 174(4) 3_677 .
C36 C37 C38 126(4) . .
C41 C37 C36 46(10) 3_677 3_677
C40 C37 C36 130(4) 3_677 3_677
C36 C37 C36 71(3) . 3_677
C38 C37 C36 56(2) . 3_677
C41 C38 C36 65(2) 3_677 3_677
C41 C38 C37 5(3) 3_677 .
C36 C38 C37 67(3) 3_677 .
C41 C38 C42 130(4) 3_677 3_677
C36 C38 C42 65(2) 3_677 3_677
C37 C38 C42 132(4) . 3_677
C41 C38 C39 113(3) 3_677 .
C36 C38 C39 48.0(18) 3_677 .
C37 C38 C39 115(3) . .
C42 C38 C39 17(2) 3_677 .
C42 C39 C36 117(7) 3_677 3_677
C42 C39 C40 174(9) 3_677 .
C36 C39 C40 60(2) 3_677 .
C42 C39 C38 61(7) 3_677 .
C36 C39 C38 56(2) 3_677 .
C40 C39 C38 116(2) . .
C37 C40 C36 67(2) 3_677 3_677
C37 C40 C39 123(3) 3_677 .
C36 C40 C39 55.4(19) 3_677 .
C37 C40 C41 4(3) 3_677 .
C36 C40 C41 67(3) 3_677 .
C39 C40 C41 122(3) . .
C37 C40 C42 122(3) 3_677 3_677
C36 C40 C42 55(2) 3_677 3_677
C39 C40 C42 2(2) . 3_677
C41 C40 C42 121(3) . 3_677
C37 C41 C38 146(10) 3_677 3_677
C37 C41 C40 25(10) 3_677 .
C38 C41 C40 169(4) 3_677 .
C37 C41 C36 128(10) 3_677 .
C38 C41 C36 63(2) 3_677 .
C40 C41 C36 126(3) . .
C37 C41 C36 63(10) 3_677 3_677
C38 C41 C36 134(4) 3_677 3_677
C40 C41 C36 54(2) . 3_677
C36 C41 C36 72(3) . 3_677
C39 C42 C38 102(6) 3_677 3_677
C39 C42 C36 46(5) 3_677 .
C38 C42 C36 56(2) 3_677 .
C39 C42 C40 4(7) 3_677 3_677
C38 C42 C40 99(3) 3_677 3_677
C36 C42 C40 44(2) . 3_677
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 O1 2.188(7) .
Yb1 O2 2.239(7) .
Yb1 N1 2.570(6) .
Yb1 N2 2.583(8) .
Yb1 N3 2.632(10) .
Yb1 O3 2.656(7) .
O1 C1 1.302(11) .
O2 C7 1.311(11) .
O3 C19 1.385(13) .
O3 C16 1.391(12) .
N1 C15 1.482(11) .
N1 C13 1.490(11) .
N1 C14 1.490(11) .
N2 C33 1.463(16) .
N2 C30 1.488(16) .
N2 C32 1.504(14) .
N3 C35 1.436(18) .
N3 C31 1.453(18) .
N3 C34 1.494(18) .
C1 C2 1.398(14) .
C1 C6 1.439(15) .
C2 C3 1.378(15) .
C2 C20 1.573(16) .
C3 C4 1.412(16) .
C3 H3 0.9400 .
C4 C5 1.327(14) .
C4 C24 1.484(13) .
C5 C6 1.370(12) .
C5 H5 0.9400 .
C6 C13 1.518(13) .
C7 C12 1.407(13) .
C7 C8 1.421(14) .
C8 C9 1.394(16) .
C8 C25 1.557(13) .
C9 C10 1.390(15) .
C9 H9 0.9400 .
C10 C11 1.371(14) .
C10 C29 1.513(15) .
C11 C12 1.384(13) .
C11 H11 0.9400 .
C12 C14 1.522(12) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C15 C16 1.483(12) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C16 C17 1.330(14) .
C17 C18 1.429(18) .
C17 H17 0.9400 .
C18 C19 1.34(2) .
C18 H18 0.9400 .
C19 H19 0.9400 .
C20 C22 1.507(17) .
C20 C21 1.520(14) .
C20 C23 1.521(16) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 H21C 0.9700 .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 H22C 0.9700 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 H23C 0.9700 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 H24C 0.9700 .
C25 C28 1.507(15) .
C25 C26 1.514(15) .
C25 C27 1.542(16) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H29C 0.9700 .
C30 C31 1.493(19) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 H33C 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 H34C 0.9700 .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C35 H35C 0.9700 .
C36 C39 1.24(4) 3_677
C36 C40 1.29(5) 3_677
C36 C38 1.38(5) 3_677
C36 C37 1.38(2) .
C36 C41 1.414(19) .
C36 C41 1.46(6) 3_677
C36 C42 1.52(2) .
C36 C37 1.55(6) 3_677
C36 C36 1.70(5) 3_677
C37 C41 0.20(5) 3_677
C37 C40 1.19(4) 3_677
C37 C38 1.41(2) .
C37 C36 1.55(6) 3_677
C38 C41 1.24(4) 3_677
C38 C36 1.38(5) 3_677
C38 C42 1.44(6) 3_677
C38 C39 1.612(18) .
C39 C42 0.49(7) 3_677
C39 C36 1.24(4) 3_677
C39 C40 1.358(19) .
C40 C37 1.19(4) 3_677
C40 C36 1.29(5) 3_677
C40 C41 1.374(19) .
C40 C42 1.85(6) 3_677
C41 C37 0.20(5) 3_677
C41 C38 1.24(4) 3_677
C41 C36 1.46(6) 3_677
C42 C39 0.49(7) 3_677
C42 C38 1.44(6) 3_677
C42 C40 1.85(6) 3_677
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_4
O2 Yb1 O1 C1 61.2(11) . .
N1 Yb1 O1 C1 -13.3(10) . .
N2 Yb1 O1 C1 160.8(11) . .
N3 Yb1 O1 C1 -127.8(11) . .
O3 Yb1 O1 C1 -48.7(12) . .
O1 Yb1 O2 C7 -92.8(9) . .
N1 Yb1 O2 C7 -19.8(9) . .
N2 Yb1 O2 C7 164.3(9) . .
N3 Yb1 O2 C7 110.8(11) . .
O3 Yb1 O2 C7 49.0(9) . .
O1 Yb1 O3 C19 -174.2(9) . .
O2 Yb1 O3 C19 68.5(10) . .
N1 Yb1 O3 C19 148.4(10) . .
N2 Yb1 O3 C19 -26.7(10) . .
N3 Yb1 O3 C19 -91.1(10) . .
O1 Yb1 O3 C16 63.9(7) . .
O2 Yb1 O3 C16 -53.4(6) . .
N1 Yb1 O3 C16 26.6(5) . .
N2 Yb1 O3 C16 -148.5(6) . .
N3 Yb1 O3 C16 147.1(6) . .
O1 Yb1 N1 C15 -154.3(6) . .
O2 Yb1 N1 C15 93.3(6) . .
N2 Yb1 N1 C15 135(3) . .
N3 Yb1 N1 C15 -67.6(6) . .
O3 Yb1 N1 C15 1.6(5) . .
O1 Yb1 N1 C13 -33.3(5) . .
O2 Yb1 N1 C13 -145.7(5) . .
N2 Yb1 N1 C13 -104(3) . .
N3 Yb1 N1 C13 53.4(6) . .
O3 Yb1 N1 C13 122.6(6) . .
O1 Yb1 N1 C14 84.6(5) . .
O2 Yb1 N1 C14 -27.9(5) . .
N2 Yb1 N1 C14 14(3) . .
N3 Yb1 N1 C14 171.2(5) . .
O3 Yb1 N1 C14 -119.6(5) . .
O1 Yb1 N2 C33 -148.2(9) . .
O2 Yb1 N2 C33 -37.5(9) . .
N1 Yb1 N2 C33 -78(3) . .
N3 Yb1 N2 C33 123.1(9) . .
O3 Yb1 N2 C33 52.8(9) . .
O1 Yb1 N2 C30 90.2(8) . .
O2 Yb1 N2 C30 -159.0(7) . .
N1 Yb1 N2 C30 160(2) . .
N3 Yb1 N2 C30 1.6(7) . .
O3 Yb1 N2 C30 -68.7(8) . .
O1 Yb1 N2 C32 -31.0(8) . .
O2 Yb1 N2 C32 79.7(8) . .
N1 Yb1 N2 C32 39(3) . .
N3 Yb1 N2 C32 -119.6(9) . .
O3 Yb1 N2 C32 170.1(7) . .
O1 Yb1 N3 C35 162.2(11) . .
O2 Yb1 N3 C35 -40.0(16) . .
N1 Yb1 N3 C35 84.9(11) . .
N2 Yb1 N3 C35 -97.6(11) . .
O3 Yb1 N3 C35 23.0(11) . .
O1 Yb1 N3 C31 -72.6(8) . .
O2 Yb1 N3 C31 85.2(11) . .
N1 Yb1 N3 C31 -149.9(7) . .
N2 Yb1 N3 C31 27.6(8) . .
O3 Yb1 N3 C31 148.2(8) . .
O1 Yb1 N3 C34 38.3(10) . .
O2 Yb1 N3 C34 -163.9(9) . .
N1 Yb1 N3 C34 -39.0(11) . .
N2 Yb1 N3 C34 138.5(11) . .
O3 Yb1 N3 C34 -100.9(10) . .
Yb1 O1 C1 C2 -150.4(8) . .
Yb1 O1 C1 C6 30.5(15) . .
O1 C1 C2 C3 178.7(10) . .
C6 C1 C2 C3 -2.1(15) . .
O1 C1 C2 C20 1.5(15) . .
C6 C1 C2 C20 -179.3(9) . .
C1 C2 C3 C4 2.1(18) . .
C20 C2 C3 C4 179.3(11) . .
C2 C3 C4 C5 -1.3(18) . .
C2 C3 C4 C24 179.3(13) . .
C3 C4 C5 C6 0.7(18) . .
C24 C4 C5 C6 -180.0(14) . .
C4 C5 C6 C1 -0.9(17) . .
C4 C5 C6 C13 176.2(11) . .
O1 C1 C6 C5 -179.3(9) . .
C2 C1 C6 C5 1.5(14) . .
O1 C1 C6 C13 3.7(14) . .
C2 C1 C6 C13 -175.5(9) . .
Yb1 O2 C7 C12 33.5(14) . .
Yb1 O2 C7 C8 -144.9(8) . .
O2 C7 C8 C9 176.4(10) . .
C12 C7 C8 C9 -2.1(15) . .
O2 C7 C8 C25 -4.8(15) . .
C12 C7 C8 C25 176.7(9) . .
C7 C8 C9 C10 -1.2(18) . .
C25 C8 C9 C10 -179.9(11) . .
C8 C9 C10 C11 3.6(18) . .
C8 C9 C10 C29 179.8(12) . .
C9 C10 C11 C12 -2.7(16) . .
C29 C10 C11 C12 -178.8(11) . .
C10 C11 C12 C7 -0.5(15) . .
C10 C11 C12 C14 176.0(9) . .
O2 C7 C12 C11 -175.6(9) . .
C8 C7 C12 C11 3.0(13) . .
O2 C7 C12 C14 7.9(13) . .
C8 C7 C12 C14 -173.5(8) . .
C15 N1 C13 C6 -169.7(8) . .
C14 N1 C13 C6 -47.4(10) . .
Yb1 N1 C13 C6 68.3(9) . .
C5 C6 C13 N1 125.3(10) . .
C1 C6 C13 N1 -57.7(12) . .
C15 N1 C14 C12 -51.3(10) . .
C13 N1 C14 C12 -172.7(8) . .
Yb1 N1 C14 C12 69.8(8) . .
C11 C12 C14 N1 115.9(9) . .
C7 C12 C14 N1 -67.5(11) . .
C13 N1 C15 C16 -150.1(8) . .
C14 N1 C15 C16 88.7(9) . .
Yb1 N1 C15 C16 -29.4(9) . .
C19 O3 C16 C17 0.0(11) . .
Yb1 O3 C16 C17 130.1(7) . .
C19 O3 C16 C15 175.3(8) . .
Yb1 O3 C16 C15 -54.5(8) . .
N1 C15 C16 C17 -125.5(13) . .
N1 C15 C16 O3 60.9(10) . .
O3 C16 C17 C18 -0.3(12) . .
C15 C16 C17 C18 -174.1(10) . .
C16 C17 C18 C19 0.6(14) . .
C17 C18 C19 O3 -0.6(15) . .
C16 O3 C19 C18 0.4(13) . .
Yb1 O3 C19 C18 -120.2(10) . .
C3 C2 C20 C22 -114.4(11) . .
C1 C2 C20 C22 62.8(13) . .
C3 C2 C20 C21 6.0(15) . .
C1 C2 C20 C21 -176.8(10) . .
C3 C2 C20 C23 123.5(11) . .
C1 C2 C20 C23 -59.3(12) . .
C9 C8 C25 C28 123.8(11) . .
C7 C8 C25 C28 -54.9(13) . .
C9 C8 C25 C26 4.0(16) . .
C7 C8 C25 C26 -174.7(12) . .
C9 C8 C25 C27 -115.7(12) . .
C7 C8 C25 C27 65.5(13) . .
C33 N2 C30 C31 -156.6(12) . .
C32 N2 C30 C31 87.5(13) . .
Yb1 N2 C30 C31 -32.0(13) . .
C35 N3 C31 C30 73.1(15) . .
C34 N3 C31 C30 -166.1(11) . .
Yb1 N3 C31 C30 -57.7(12) . .
N2 C30 C31 N3 66.6(16) . .
C39 C36 C37 C41 151(21) 3_677 3_677
C40 C36 C37 C41 150(21) 3_677 3_677
C38 C36 C37 C41 -17(16) 3_677 3_677
C41 C36 C37 C41 -29(21) . 3_677
C42 C36 C37 C41 153(20) . 3_677
C37 C36 C37 C41 -25(18) 3_677 3_677
C36 C36 C37 C41 -25(18) 3_677 3_677
C39 C36 C37 C40 0(3) 3_677 3_677
C38 C36 C37 C40 -168(11) 3_677 3_677
C41 C36 C37 C40 -179(3) . 3_677
C41 C36 C37 C40 -150(21) 3_677 3_677
C42 C36 C37 C40 3(4) . 3_677
C37 C36 C37 C40 -176(4) 3_677 3_677
C36 C36 C37 C40 -176(4) 3_677 3_677
C39 C36 C37 C38 178(3) 3_677 .
C40 C36 C37 C38 178(3) 3_677 .
C38 C36 C37 C38 10(9) 3_677 .
C41 C36 C37 C38 -1(2) . .
C41 C36 C37 C38 28(19) 3_677 .
C42 C36 C37 C38 -179(3) . .
C37 C36 C37 C38 2.3(19) 3_677 .
C36 C36 C37 C38 2.3(19) 3_677 .
C39 C36 C37 C36 176(4) 3_677 3_677
C40 C36 C37 C36 176(4) 3_677 3_677
C38 C36 C37 C36 8(7) 3_677 3_677
C41 C36 C37 C36 -4(3) . 3_677
C41 C36 C37 C36 25(18) 3_677 3_677
C42 C36 C37 C36 178(4) . 3_677
C37 C36 C37 C36 0.000(2) 3_677 3_677
C40 C37 C38 C41 100(45) 3_677 3_677
C41 C37 C38 C36 61(39) 3_677 3_677
C40 C37 C38 C36 160(27) 3_677 3_677
C36 C37 C38 C36 -3(2) . 3_677
C40 C37 C38 C42 159(27) 3_677 3_677
C36 C37 C38 C42 -4(4) . 3_677
C36 C37 C38 C42 -1(3) 3_677 3_677
C40 C37 C38 C39 162(26) 3_677 .
C36 C37 C38 C39 -1.0(19) . .
C36 C37 C38 C39 2(2) 3_677 .
C41 C38 C39 C42 -169(11) 3_677 3_677
C36 C38 C39 C42 -171(12) 3_677 3_677
C37 C38 C39 C42 -173(10) . 3_677
C41 C38 C39 C36 3(3) 3_677 3_677
C37 C38 C39 C36 -2(3) . 3_677
C42 C38 C39 C36 171(12) 3_677 3_677
C41 C38 C39 C40 6(5) 3_677 .
C36 C38 C39 C40 3(3) 3_677 .
C37 C38 C39 C40 1(3) . .
C42 C38 C39 C40 174(11) 3_677 .
C42 C39 C40 C37 55(86) 3_677 3_677
C36 C39 C40 C37 0(3) 3_677 3_677
C38 C39 C40 C37 -3(5) . 3_677
C42 C39 C40 C36 55(85) 3_677 3_677
C38 C39 C40 C36 -3(3) . 3_677
C42 C39 C40 C41 60(87) 3_677 .
C36 C39 C40 C41 4(4) 3_677 .
C38 C39 C40 C41 1(4) . .
C36 C40 C41 C38 -142(25) 3_677 3_677
C39 C40 C41 C38 -146(22) . 3_677
C42 C40 C41 C38 -145(23) 3_677 3_677
C36 C40 C41 C36 0(4) 3_677 .
C39 C40 C41 C36 -4(6) . .
C42 C40 C41 C36 -3(6) 3_677 .
C39 C40 C41 C36 -4(4) . 3_677
C42 C40 C41 C36 -2(3) 3_677 3_677
C39 C36 C41 C37 -144(24) 3_677 3_677
C40 C36 C41 C37 33(27) 3_677 3_677
C38 C36 C41 C37 -141(25) 3_677 3_677
C37 C36 C41 C37 35(24) . 3_677
C41 C36 C41 C37 32(21) 3_677 3_677
C42 C36 C41 C37 -146(23) . 3_677
C36 C36 C41 C37 32(21) 3_677 3_677
C39 C36 C41 C38 -3(4) 3_677 3_677
C40 C36 C41 C38 174(13) 3_677 3_677
C37 C36 C41 C38 177(3) . 3_677
C41 C36 C41 C38 173(5) 3_677 3_677
C42 C36 C41 C38 -5(4) . 3_677
C37 C36 C41 C38 141(25) 3_677 3_677
C36 C36 C41 C38 173(5) 3_677 3_677
C39 C36 C41 C40 -175(4) 3_677 .
C40 C36 C41 C40 2(15) 3_677 .
C38 C36 C41 C40 -172(6) 3_677 .
C37 C36 C41 C40 4(5) . .
C41 C36 C41 C40 0(3) 3_677 .
C42 C36 C41 C40 -177(4) . .
C37 C36 C41 C40 -31(21) 3_677 .
C36 C36 C41 C40 0(3) 3_677 .
C39 C36 C41 C36 -176(5) 3_677 3_677
C40 C36 C41 C36 1(12) 3_677 3_677
C38 C36 C41 C36 -173(5) 3_677 3_677
C37 C36 C41 C36 4(3) . 3_677
C41 C36 C41 C36 0.000(5) 3_677 3_677
C42 C36 C41 C36 -178(3) . 3_677
C37 C36 C41 C36 -32(21) 3_677 3_677
C40 C36 C42 C39 -5(10) 3_677 3_677
C38 C36 C42 C39 170(13) 3_677 3_677
C37 C36 C42 C39 -7(13) . 3_677
C41 C36 C42 C39 175(11) . 3_677
C41 C36 C42 C39 -2(13) 3_677 3_677
C37 C36 C42 C39 171(12) 3_677 3_677
C36 C36 C42 C39 167(15) 3_677 3_677
C39 C36 C42 C38 -170(13) 3_677 3_677
C40 C36 C42 C38 -175(4) 3_677 3_677
C37 C36 C42 C38 -177(3) . 3_677
C41 C36 C42 C38 5(4) . 3_677
C41 C36 C42 C38 -172(6) 3_677 3_677
C37 C36 C42 C38 1(2) 3_677 3_677
C36 C36 C42 C38 -3(12) 3_677 3_677
C39 C36 C42 C40 5(10) 3_677 3_677
C38 C36 C42 C40 175(4) 3_677 3_677
C37 C36 C42 C40 -2(3) . 3_677
C41 C36 C42 C40 180(3) . 3_677
C41 C36 C42 C40 3(4) 3_677 3_677
C37 C36 C42 C40 176(4) 3_677 3_677
C36 C36 C42 C40 172(13) 3_677 3_677
