#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:33:04 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178656 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/67/4076731.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_4076731
loop_
_publ_author_name
'Ganesan, Mani'
'Bérubé, Christian D.'
'Gambarotta, Sandro'
'Yap, Glenn P. A.'
_publ_section_title
;
 Effect of the Alkali-Metal Cation on the Bonding Mode of
 2,5-Dimethylpyrrole in Divalent Samarium and Ytterbium Complexes
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1707
_journal_page_last               1713
_journal_paper_doi               10.1021/om0109915
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C48 H86.36 Cl4 Li4 N4 O6 Yb2'
_chemical_formula_weight         1331.22
_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                 99.980(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.972(2)
_cell_length_b                   11.064(2)
_cell_length_c                   23.357(3)
_cell_measurement_reflns_used    'reflections from 60 data frames'
_cell_measurement_temperature    203(2)
_cell_measurement_theta_max      28.29
_cell_measurement_theta_min      1.47
_cell_volume                     3047.0(8)
_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      203(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.1481
_diffrn_reflns_av_sigmaI/netI    0.2368
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            19538
_diffrn_reflns_theta_full        20.81
_diffrn_reflns_theta_max         20.81
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        <1
_diffrn_standards_number         '50 standard frames at start and end'
_exptl_absorpt_coefficient_mu    3.269
_exptl_absorpt_correction_T_max  0.928077
_exptl_absorpt_correction_T_min  0.762312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing,R., Acta Cryst. (1995) A51 33-38.'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.451
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1341
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.506
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         3180
_refine_ls_number_restraints     478
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0789
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0300P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                2094
_reflns_number_total             3180
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0109915.cif
_cod_data_source_block           sg327
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        3047.1(8)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4076731
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
Yb Yb 0.15781(4) 0.29167(4) 0.119844(19) 0.04430(17) Uani 1 1 d U A .
Cl1 Cl 0.2617(2) 0.1548(2) 0.05013(11) 0.0637(8) Uani 1 1 d U A .
Cl2 Cl 0.1264(2) 0.4985(2) 0.05418(10) 0.0520(7) Uani 1 1 d U . .
N1 N 0.3629(7) 0.2536(6) 0.1853(3) 0.0493(18) Uani 1 1 d U A .
N2 N -0.0680(6) 0.3088(7) 0.0943(3) 0.0474(17) Uani 1 1 d U A .
Li1 Li 0.4132(16) 0.1249(15) 0.1309(8) 0.062(3) Uani 1 1 d U . .
Li2 Li -0.0780(14) 0.4739(15) 0.0516(7) 0.055(3) Uani 1 1 d U . .
C1 C 0.4330(9) 0.4252(8) 0.1300(4) 0.062(3) Uani 1 1 d U A .
H1A H 0.4194 0.5112 0.1246 0.093 Uiso 1 1 calc R . .
H1B H 0.4138 0.3842 0.0929 0.093 Uiso 1 1 calc R . .
H1C H 0.5124 0.4115 0.1459 0.093 Uiso 1 1 calc R . .
C2 C 0.3610(9) 0.3765(9) 0.1714(4) 0.050(2) Uani 1 1 d U . .
C3 C 0.2882(8) 0.4352(9) 0.2019(4) 0.054(2) Uani 1 1 d U A .
H3A H 0.2721 0.5184 0.2003 0.065 Uiso 1 1 calc R . .
C4 C 0.2420(9) 0.3491(9) 0.2359(4) 0.057(2) Uani 1 1 d U . .
H4A H 0.1891 0.3631 0.2605 0.069 Uiso 1 1 calc R A .
C5 C 0.2907(9) 0.2406(8) 0.2254(4) 0.053(2) Uani 1 1 d U A .
C6 C 0.2767(9) 0.1175(8) 0.2517(4) 0.078(4) Uani 1 1 d U . .
H6A H 0.3221 0.0587 0.2351 0.116 Uiso 1 1 calc R A .
H6B H 0.1975 0.0939 0.2433 0.116 Uiso 1 1 calc R . .
H6C H 0.3016 0.1212 0.2934 0.116 Uiso 1 1 calc R . .
C7 C -0.0640(9) 0.1790(9) 0.0062(4) 0.073(3) Uani 1 1 d U A .
H7A H -0.0920 0.2536 -0.0129 0.110 Uiso 1 1 calc R . .
H7B H -0.1192 0.1153 -0.0047 0.110 Uiso 1 1 calc R . .
H7C H 0.0070 0.1569 -0.0057 0.110 Uiso 1 1 calc R . .
C8 C -0.0453(8) 0.1964(9) 0.0709(4) 0.057(2) Uani 1 1 d U . .
C9 C -0.0092(9) 0.1182(9) 0.1146(5) 0.065(2) Uani 1 1 d U A .
H9A H 0.0130 0.0375 0.1106 0.078 Uiso 1 1 calc R . .
C10 C -0.0110(9) 0.1803(9) 0.1673(5) 0.066(2) Uani 1 1 d U . .
H10A H 0.0087 0.1479 0.2049 0.079 Uiso 1 1 calc R A .
C11 C -0.0463(8) 0.2955(10) 0.1539(4) 0.0547(19) Uani 1 1 d U A .
C12 C -0.0669(9) 0.3957(10) 0.1947(4) 0.075(3) Uani 1 1 d U . .
H12A H -0.0966 0.4660 0.1722 0.113 Uiso 1 1 calc R A .
H12B H 0.0039 0.4167 0.2196 0.113 Uiso 1 1 calc R . .
H12C H -0.1213 0.3690 0.2183 0.113 Uiso 1 1 calc R . .
O1 O 0.3908(6) -0.0450(6) 0.1494(3) 0.077(2) Uani 1 1 d U A .
C13 C 0.2940(10) -0.1163(10) 0.1281(6) 0.105(5) Uani 1 1 d U . .
H13A H 0.2315 -0.0928 0.1477 0.126 Uiso 1 1 calc R A .
H13B H 0.2705 -0.1012 0.0864 0.126 Uiso 1 1 calc R . .
C14 C 0.3163(13) -0.2374(12) 0.1370(8) 0.203(8) Uani 1 1 d U A .
H14A H 0.3063 -0.2809 0.0999 0.244 Uiso 1 1 calc R . .
H14B H 0.2658 -0.2727 0.1613 0.244 Uiso 1 1 calc R . .
C15 C 0.4384(13) -0.2434(10) 0.1674(8) 0.191(8) Uani 1 1 d U . .
H15A H 0.4458 -0.2969 0.2013 0.229 Uiso 1 1 calc R A .
H15B H 0.4870 -0.2742 0.1409 0.229 Uiso 1 1 calc R . .
C16 C 0.4698(11) -0.1222(10) 0.1850(6) 0.120(5) Uani 1 1 d U A .
H16A H 0.4656 -0.1104 0.2262 0.144 Uiso 1 1 calc R . .
H16B H 0.5473 -0.1049 0.1792 0.144 Uiso 1 1 calc R . .
O2 O 0.572(3) 0.137(5) 0.114(2) 0.096(5) Uani 0.577(14) 1 d PU A 1
C17 C 0.576(3) 0.073(3) 0.0583(15) 0.128(8) Uani 0.577(14) 1 d PU A 1
H17A H 0.5049 0.0282 0.0458 0.154 Uiso 0.577(14) 1 calc PR A 1
H17B H 0.6389 0.0157 0.0633 0.154 Uiso 0.577(14) 1 calc PR A 1
C18 C 0.592(3) 0.175(3) 0.0103(14) 0.200(14) Uani 0.577(14) 1 d PU A 1
H18A H 0.5859 0.1375 -0.0276 0.300 Uiso 0.577(14) 1 calc PR A 1
H18B H 0.6663 0.2119 0.0209 0.300 Uiso 0.577(14) 1 calc PR A 1
H18C H 0.5339 0.2365 0.0092 0.300 Uiso 0.577(14) 1 calc PR A 1
C19 C 0.682(3) 0.148(4) 0.1416(13) 0.108(8) Uani 0.577(14) 1 d PU A 1
H19A H 0.7190 0.0687 0.1470 0.129 Uiso 0.577(14) 1 calc PR A 1
H19B H 0.7258 0.1995 0.1193 0.129 Uiso 0.577(14) 1 calc PR A 1
C20 C 0.6740(18) 0.205(2) 0.1995(9) 0.101(8) Uani 0.577(14) 1 d PU A 1
H20A H 0.7478 0.2034 0.2244 0.152 Uiso 0.577(14) 1 calc PR A 1
H20B H 0.6200 0.1605 0.2178 0.152 Uiso 0.577(14) 1 calc PR A 1
H20C H 0.6488 0.2882 0.1935 0.152 Uiso 0.577(14) 1 calc PR A 1
O3 O 0.549(4) 0.138(6) 0.112(3) 0.092(5) Uani 0.423(14) 1 d PU A 2
C21 C 0.572(4) 0.141(4) 0.059(2) 0.111(8) Uani 0.423(14) 1 d PU A 2
H21A H 0.5122 0.1015 0.0310 0.133 Uiso 0.423(14) 1 calc PR A 2
H21B H 0.5818 0.2241 0.0461 0.133 Uiso 0.423(14) 1 calc PR A 2
C22 C 0.678(3) 0.074(4) 0.0655(17) 0.126(9) Uani 0.423(14) 1 d PU A 2
H22A H 0.7359 0.1239 0.0524 0.152 Uiso 0.423(14) 1 calc PR A 2
H22B H 0.6669 0.0017 0.0406 0.152 Uiso 0.423(14) 1 calc PR A 2
C23 C 0.715(3) 0.039(4) 0.1220(16) 0.117(9) Uani 0.423(14) 1 d PU A 2
H23A H 0.7981 0.0434 0.1320 0.140 Uiso 0.423(14) 1 calc PR A 2
H23B H 0.6912 -0.0441 0.1288 0.140 Uiso 0.423(14) 1 calc PR A 2
C24 C 0.653(4) 0.139(5) 0.160(2) 0.095(8) Uani 0.423(14) 1 d PU A 2
H24A H 0.6390 0.1073 0.1976 0.115 Uiso 0.423(14) 1 calc PR A 2
H24B H 0.6921 0.2169 0.1653 0.115 Uiso 0.423(14) 1 calc PR A 2
O4 O -0.1680(7) 0.5964(7) 0.0859(3) 0.083(2) Uani 1 1 d U A .
C25 C -0.2868(12) 0.5971(15) 0.0636(6) 0.120(5) Uani 1 1 d U . .
H25A H -0.3019 0.6456 0.0280 0.144 Uiso 1 1 calc R A .
H25B H -0.3275 0.6338 0.0922 0.144 Uiso 1 1 calc R . .
C26 C -0.3291(12) 0.4681(16) 0.0506(8) 0.173(8) Uani 1 1 d U A .
H26A H -0.4099 0.4693 0.0358 0.259 Uiso 1 1 calc R . .
H26B H -0.3144 0.4205 0.0860 0.259 Uiso 1 1 calc R . .
H26C H -0.2896 0.4325 0.0218 0.259 Uiso 1 1 calc R . .
C27 C -0.1440(14) 0.7239(13) 0.0999(6) 0.131(5) Uani 1 1 d U . .
H27A H -0.1426 0.7708 0.0645 0.158 Uiso 1 1 calc R A .
H27B H -0.2018 0.7580 0.1202 0.158 Uiso 1 1 calc R . .
C28 C -0.0354(14) 0.7252(12) 0.1366(6) 0.140(6) Uani 1 1 d U A .
H28A H -0.0137 0.8080 0.1467 0.210 Uiso 1 1 calc R . .
H28B H 0.0203 0.6889 0.1162 0.210 Uiso 1 1 calc R . .
H28C H -0.0388 0.6796 0.1717 0.210 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'
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'
Li Li -0.0003 0.0001 '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
N2 Yb Cl1 117.54(17) . .
N2 Yb N1 157.8(2) . .
Cl1 Yb N1 77.50(18) . .
N2 Yb C2 151.2(3) . .
Cl1 Yb C2 89.5(2) . .
N1 Yb C2 30.1(2) . .
N2 Yb C11 29.8(2) . .
Cl1 Yb C11 136.6(2) . .
N1 Yb C11 128.2(3) . .
C2 Yb C11 131.1(3) . .
N2 Yb C8 30.2(2) . .
Cl1 Yb C8 90.0(2) . .
N1 Yb C8 147.2(3) . .
C2 Yb C8 177.3(3) . .
C11 Yb C8 48.7(3) . .
N2 Yb Cl2 77.33(16) . .
Cl1 Yb Cl2 99.48(8) . .
N1 Yb Cl2 118.13(17) . .
C2 Yb Cl2 89.1(2) . .
C11 Yb Cl2 96.2(2) . .
C8 Yb Cl2 93.6(2) . .
N2 Yb C5 128.3(3) . .
Cl1 Yb C5 99.9(2) . .
N1 Yb C5 29.5(3) . .
C2 Yb C5 48.1(3) . .
C11 Yb C5 98.7(3) . .
C8 Yb C5 129.3(3) . .
Cl2 Yb C5 132.39(19) . .
N2 Yb C10 48.5(3) . .
Cl1 Yb C10 116.2(2) . .
N1 Yb C10 111.2(3) . .
C2 Yb C10 130.2(3) . .
C11 Yb C10 28.9(3) . .
C8 Yb C10 47.9(3) . .
Cl2 Yb C10 123.9(2) . .
C5 Yb C10 84.2(3) . .
N2 Yb C3 122.9(3) . .
Cl1 Yb C3 118.7(2) . .
N1 Yb C3 49.0(2) . .
C2 Yb C3 29.3(3) . .
C11 Yb C3 102.6(3) . .
C8 Yb C3 151.0(3) . .
Cl2 Yb C3 85.1(2) . .
C5 Yb C3 47.6(3) . .
C10 Yb C3 110.2(3) . .
N2 Yb C9 48.9(3) . .
Cl1 Yb C9 89.4(3) . .
N1 Yb C9 119.9(3) . .
C2 Yb C9 148.8(3) . .
C11 Yb C9 48.5(3) . .
C8 Yb C9 28.5(3) . .
Cl2 Yb C9 121.8(2) . .
C5 Yb C9 101.5(3) . .
C10 Yb C9 29.7(3) . .
C3 Yb C9 138.7(3) . .
N2 Yb C4 112.4(3) . .
Cl1 Yb C4 126.1(2) . .
N1 Yb C4 49.0(3) . .
C2 Yb C4 48.7(3) . .
C11 Yb C4 84.4(3) . .
C8 Yb C4 130.0(3) . .
Cl2 Yb C4 110.1(2) . .
C5 Yb C4 28.7(2) . .
C10 Yb C4 83.0(3) . .
C3 Yb C4 29.5(3) . .
C9 Yb C4 109.8(3) . .
Li1 Cl1 Yb 88.1(5) . .
Li2 Cl2 Li2 85.9(6) 3_565 .
Li2 Cl2 Yb 130.6(4) 3_565 .
Li2 Cl2 Yb 87.7(4) . .
C5 N1 C2 105.7(8) . .
C5 N1 Li1 128.7(8) . .
C2 N1 Li1 121.5(9) . .
C5 N1 Yb 77.7(5) . .
C2 N1 Yb 74.9(5) . .
Li1 N1 Yb 95.3(5) . .
C11 N2 C8 106.4(8) . .
C11 N2 Li2 124.4(8) . .
C8 N2 Li2 126.3(8) . .
C11 N2 Yb 76.1(5) . .
C8 N2 Yb 76.5(5) . .
Li2 N2 Yb 98.1(5) . .
O3 Li1 O2 3(4) . .
O3 Li1 O1 107(2) . .
O2 Li1 O1 106.2(17) . .
O3 Li1 N1 119(2) . .
O2 Li1 N1 117.5(17) . .
O1 Li1 N1 117.4(10) . .
O3 Li1 Cl1 114(2) . .
O2 Li1 Cl1 116.3(19) . .
O1 Li1 Cl1 101.0(8) . .
N1 Li1 Cl1 97.3(7) . .
O3 Li1 Yb 140(2) . .
O2 Li1 Yb 141.5(17) . .
O1 Li1 Yb 111.5(8) . .
N1 Li1 Yb 49.2(4) . .
Cl1 Li1 Yb 49.2(3) . .
O4 Li2 N2 113.4(9) . .
O4 Li2 Cl2 105.7(7) . 3_565
N2 Li2 Cl2 125.2(8) . 3_565
O4 Li2 Cl2 121.5(8) . .
N2 Li2 Cl2 96.5(6) . .
Cl2 Li2 Cl2 94.1(6) 3_565 .
O4 Li2 Li2 125.6(9) . 3_565
N2 Li2 Li2 120.4(10) . 3_565
Cl2 Li2 Li2 47.0(4) 3_565 3_565
Cl2 Li2 Li2 47.1(4) . 3_565
O4 Li2 Yb 129.9(7) . .
N2 Li2 Yb 47.2(4) . .
Cl2 Li2 Yb 122.9(6) 3_565 .
Cl2 Li2 Yb 49.5(3) . .
Li2 Li2 Yb 85.6(6) 3_565 .
C3 C2 N1 108.9(10) . .
C3 C2 C1 130.4(9) . .
N1 C2 C1 120.7(10) . .
C3 C2 Yb 78.0(6) . .
N1 C2 Yb 75.0(5) . .
C1 C2 Yb 114.4(6) . .
C2 C3 C4 108.4(9) . .
C2 C3 Yb 72.7(6) . .
C4 C3 Yb 76.9(5) . .
C5 C4 C3 105.7(10) . .
C5 C4 Yb 73.9(6) . .
C3 C4 Yb 73.7(5) . .
C4 C5 N1 111.2(9) . .
C4 C5 C6 129.3(11) . .
N1 C5 C6 119.5(9) . .
C4 C5 Yb 77.4(6) . .
N1 C5 Yb 72.8(5) . .
C6 C5 Yb 117.4(6) . .
C9 C8 N2 109.4(9) . .
C9 C8 C7 130.6(11) . .
N2 C8 C7 120.0(9) . .
C9 C8 Yb 77.6(6) . .
N2 C8 Yb 73.3(5) . .
C7 C8 Yb 116.1(7) . .
C8 C9 C10 107.1(10) . .
C8 C9 Yb 73.9(6) . .
C10 C9 Yb 75.1(6) . .
C11 C10 C9 107.9(10) . .
C11 C10 Yb 73.1(6) . .
C9 C10 Yb 75.2(6) . .
C10 C11 N2 109.1(10) . .
C10 C11 C12 128.5(9) . .
N2 C11 C12 122.3(10) . .
C10 C11 Yb 78.0(6) . .
N2 C11 Yb 74.1(5) . .
C12 C11 Yb 116.9(7) . .
C13 O1 C16 106.8(8) . .
C13 O1 Li1 126.3(8) . .
C16 O1 Li1 126.9(8) . .
C14 C13 O1 111.3(10) . .
C13 C14 C15 105.1(11) . .
C16 C15 C14 106.1(11) . .
O1 C16 C15 106.2(9) . .
C17 O2 C19 106(3) . .
C17 O2 Li1 108(3) . .
C19 O2 Li1 141(4) . .
O2 C17 C18 107(3) . .
C20 C19 O2 105(3) . .
C21 O3 C24 115(4) . .
C21 O3 Li1 126(5) . .
C24 O3 Li1 120(4) . .
C22 C21 O3 101(5) . .
C21 C22 C23 112(4) . .
C22 C23 C24 103(3) . .
O3 C24 C23 89(4) . .
C25 O4 C27 102.7(10) . .
C25 O4 Li2 115.7(9) . .
C27 O4 Li2 130.5(10) . .
O4 C25 C26 110.0(12) . .
C28 C27 O4 105.5(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb N2 2.673(7) .
Yb Cl1 2.682(3) .
Yb N1 2.691(7) .
Yb C2 2.690(9) .
Yb C11 2.698(10) .
Yb C8 2.714(9) .
Yb Cl2 2.744(2) .
Yb C5 2.752(9) .
Yb C10 2.758(10) .
Yb C3 2.755(9) .
Yb C9 2.759(10) .
Yb C4 2.796(9) .
Cl1 Li1 2.403(17) .
Cl2 Li2 2.457(16) 3_565
Cl2 Li2 2.452(17) .
N1 C5 1.388(12) .
N1 C2 1.397(11) .
N1 Li1 2.07(2) .
N2 C11 1.379(10) .
N2 C8 1.405(11) .
N2 Li2 2.074(17) .
Li1 O3 1.77(4) .
Li1 O2 2.01(4) .
Li1 O1 1.958(18) .
Li2 O4 1.985(19) .
Li2 Cl2 2.457(16) 3_565
Li2 Li2 3.35(4) 3_565
C1 C2 1.502(13) .
C2 C3 1.378(13) .
C3 C4 1.413(13) .
C4 C5 1.374(12) .
C5 C6 1.514(12) .
C7 C8 1.502(12) .
C8 C9 1.350(12) .
C9 C10 1.413(13) .
C10 C11 1.361(13) .
C11 C12 1.509(13) .
O1 C13 1.419(11) .
O1 C16 1.429(11) .
C13 C14 1.375(14) .
C14 C15 1.512(16) .
C15 C16 1.434(14) .
O2 C17 1.48(6) .
O2 C19 1.38(5) .
C17 C18 1.63(5) .
C19 C20 1.51(3) .
O3 C21 1.33(9) .
O3 C24 1.52(8) .
C21 C22 1.45(6) .
C22 C23 1.38(4) .
C23 C24 1.67(5) .
O4 C25 1.428(14) .
O4 C27 1.464(14) .
C25 C26 1.527(17) .
C27 C28 1.428(16) .
