#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/67/4076730.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_4076730
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            'C23.5 H36 I2 Li2 N2 O2 Yb'
_chemical_formula_weight         819.26
_chemical_name_systematic        ?
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                77.044(2)
_cell_angle_beta                 86.608(2)
_cell_angle_gamma                76.605(2)
_cell_formula_units_Z            2
_cell_length_a                   9.0560(9)
_cell_length_b                   11.162(1)
_cell_length_c                   15.354(2)
_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                     1471.3(3)
_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 0.876
_diffrn_measured_fraction_theta_max 0.876
_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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0665
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11552
_diffrn_reflns_theta_full        28.72
_diffrn_reflns_theta_max         28.72
_diffrn_reflns_theta_min         1.36
_diffrn_standards_decay_%        <1
_diffrn_standards_number         '50 standard frames at start and end'
_exptl_absorpt_coefficient_mu    5.296
_exptl_absorpt_correction_T_max  0.694463
_exptl_absorpt_correction_T_min  0.335699
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing,R., Acta Cryst. (1995) A51 33-38.'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.579
_refine_diff_density_min         -1.565
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     313
_refine_ls_number_reflns         6664
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0552
_refine_ls_R_factor_gt           0.0424
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1040
_reflns_number_gt                5328
_reflns_number_total             6664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0109915.cif
_cod_data_source_block           sg325
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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        1471.4(3)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C23.50 H36 I2 Li2 N2 O2 Yb'
_cod_database_code               4076730
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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 0.03189(3) 0.16212(2) 0.220195(17) 0.03128(9) Uani 1 1 d . . .
I1 I 0.15633(5) -0.04690(4) 0.38730(3) 0.04091(12) Uani 1 1 d . . .
I2 I -0.10212(5) -0.02107(4) 0.13830(3) 0.03935(11) Uani 1 1 d . . .
Li1 Li 0.0002(12) -0.1606(11) 0.5406(8) 0.041(2) Uani 1 1 d . . .
Li2 Li 0.1796(14) -0.0155(11) 0.0445(8) 0.047(3) Uani 1 1 d . . .
N1 N -0.1150(6) 0.2648(5) 0.3496(4) 0.0344(11) Uani 1 1 d . . .
N2 N 0.2288(6) 0.1286(5) 0.0863(3) 0.0365(12) Uani 1 1 d . . .
O1 O -0.1501(5) -0.2186(5) 0.4882(4) 0.0553(14) Uani 1 1 d . . .
O2 O 0.3066(6) -0.1813(4) 0.0705(3) 0.0486(12) Uani 1 1 d . . .
C1 C 0.0344(9) 0.4333(7) 0.3136(6) 0.059(2) Uani 1 1 d . . .
H1A H 0.0469 0.5016 0.2642 0.088 Uiso 1 1 calc R . .
H1B H 0.1312 0.3739 0.3270 0.088 Uiso 1 1 calc R . .
H1C H -0.0022 0.4672 0.3658 0.088 Uiso 1 1 calc R . .
C2 C -0.0785(8) 0.3669(6) 0.2888(5) 0.0428(16) Uani 1 1 d . . .
C3 C -0.1651(8) 0.3934(7) 0.2121(5) 0.0490(17) Uani 1 1 d . . .
H3A H -0.1614 0.4576 0.1611 0.059 Uiso 1 1 calc R . .
C4 C -0.2593(7) 0.3066(7) 0.2249(5) 0.0461(17) Uani 1 1 d . . .
H4A H -0.3291 0.3010 0.1838 0.055 Uiso 1 1 calc R . .
C5 C -0.2290(7) 0.2299(6) 0.3108(4) 0.0366(14) Uani 1 1 d . . .
C6 C -0.2999(8) 0.1269(7) 0.3585(5) 0.0470(17) Uani 1 1 d . . .
H6A H -0.3773 0.1174 0.3212 0.070 Uiso 1 1 calc R . .
H6B H -0.3457 0.1467 0.4137 0.070 Uiso 1 1 calc R . .
H6C H -0.2231 0.0488 0.3719 0.070 Uiso 1 1 calc R . .
C7 C 0.0435(9) 0.3026(7) -0.0107(4) 0.0501(18) Uani 1 1 d . . .
H7A H 0.0358 0.2339 -0.0380 0.075 Uiso 1 1 calc R . .
H7B H 0.0778 0.3674 -0.0550 0.075 Uiso 1 1 calc R . .
H7C H -0.0552 0.3380 0.0123 0.075 Uiso 1 1 calc R . .
C8 C 0.1545(7) 0.2540(6) 0.0643(4) 0.0397(14) Uani 1 1 d . . .
C9 C 0.1987(8) 0.3212(7) 0.1222(5) 0.0492(17) Uani 1 1 d . . .
H9A H 0.1629 0.4073 0.1222 0.059 Uiso 1 1 calc R . .
C10 C 0.3075(8) 0.2330(8) 0.1802(5) 0.0520(18) Uani 1 1 d . . .
H10A H 0.3586 0.2490 0.2264 0.062 Uiso 1 1 calc R . .
C11 C 0.3245(7) 0.1165(7) 0.1554(4) 0.0393(14) Uani 1 1 d . . .
C12 C 0.4341(7) -0.0029(7) 0.1922(5) 0.0503(18) Uani 1 1 d . . .
H12A H 0.4203 -0.0683 0.1632 0.075 Uiso 1 1 calc R . .
H12B H 0.4170 -0.0279 0.2560 0.075 Uiso 1 1 calc R . .
H12C H 0.5368 0.0094 0.1814 0.075 Uiso 1 1 calc R . .
C13 C -0.3079(9) -0.2049(10) 0.5123(7) 0.072(3) Uani 1 1 d . . .
H13A H -0.3447 -0.1290 0.5364 0.086 Uiso 1 1 calc R . .
H13B H -0.3237 -0.2783 0.5575 0.086 Uiso 1 1 calc R . .
C14 C -0.3882(10) -0.1946(9) 0.4292(7) 0.073(3) Uani 1 1 d . . .
H14A H -0.4358 -0.1064 0.4036 0.087 Uiso 1 1 calc R . .
H14B H -0.4670 -0.2435 0.4408 0.087 Uiso 1 1 calc R . .
C15 C -0.2708(12) -0.2460(11) 0.3674(7) 0.083(3) Uani 1 1 d . . .
H15A H -0.2629 -0.1816 0.3133 0.100 Uiso 1 1 calc R . .
H15B H -0.2948 -0.3187 0.3501 0.100 Uiso 1 1 calc R . .
C16 C -0.1277(11) -0.2842(11) 0.4191(8) 0.093(4) Uani 1 1 d . . .
H16A H -0.1041 -0.3754 0.4436 0.112 Uiso 1 1 calc R . .
H16B H -0.0432 -0.2629 0.3805 0.112 Uiso 1 1 calc R . .
C17 C 0.2953(10) -0.2862(8) 0.1426(6) 0.064(2) Uani 1 1 d . . .
H17A H 0.3052 -0.2648 0.2002 0.077 Uiso 1 1 calc R . .
H17B H 0.1969 -0.3081 0.1414 0.077 Uiso 1 1 calc R . .
C18 C 0.4152(16) -0.3888(11) 0.1306(11) 0.131(6) Uani 1 1 d . . .
H18A H 0.3733 -0.4588 0.1220 0.158 Uiso 1 1 calc R . .
H18B H 0.4795 -0.4186 0.1837 0.158 Uiso 1 1 calc R . .
C19 C 0.504(2) -0.3482(13) 0.0538(12) 0.200(11) Uani 1 1 d . . .
H19A H 0.5032 -0.3995 0.0099 0.240 Uiso 1 1 calc R . .
H19B H 0.6092 -0.3592 0.0715 0.240 Uiso 1 1 calc R . .
C20 C 0.4417(10) -0.2165(9) 0.0144(7) 0.079(3) Uani 1 1 d . . .
H20A H 0.4128 -0.2058 -0.0479 0.094 Uiso 1 1 calc R . .
H20B H 0.5153 -0.1652 0.0164 0.094 Uiso 1 1 calc R . .
C21 C 0.6033(16) 0.4410(13) 0.4628(10) 0.059(8) Uani 0.50 1 d PGD A -1
H21A H 0.7019 0.3926 0.4575 0.071 Uiso 0.50 1 calc PR A -1
C22 C 0.507(2) 0.4813(15) 0.3897(8) 0.085(7) Uani 0.50 1 d PGD A -1
H22A H 0.5406 0.4601 0.3348 0.102 Uiso 0.50 1 calc PR A -1
C23 C 0.361(2) 0.5528(15) 0.3976(9) 0.14(2) Uani 0.50 1 d PGD A -1
H23A H 0.2961 0.5800 0.3481 0.164 Uiso 0.50 1 calc PR A -1
C24 C 0.3116(14) 0.5840(12) 0.4788(11) 0.065(5) Uani 0.50 1 d PGD A -1
H24A H 0.2130 0.6324 0.4842 0.078 Uiso 0.50 1 calc PR A -1
C25 C 0.4079(14) 0.5438(12) 0.5520(9) 0.068(10) Uani 0.50 1 d PGD A -1
H25A H 0.3743 0.5649 0.6068 0.082 Uiso 0.50 1 calc PR A -1
C26 C 0.5537(14) 0.4723(13) 0.5440(8) 0.055(4) Uani 0.50 1 d PGD A -1
C27 C 0.648(2) 0.431(2) 0.615(2) 0.083(12) Uani 0.50 1 d PD A -1
H27A H 0.5970 0.4597 0.6668 0.124 Uiso 0.50 1 calc PR A -1
H27B H 0.7386 0.4651 0.6015 0.124 Uiso 0.50 1 calc PR A -1
H27C H 0.6772 0.3399 0.6287 0.124 Uiso 0.50 1 calc PR A -1
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'
I I -0.4742 1.8119 '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
N1 Yb C8 133.99(19) . .
N1 Yb N2 159.01(17) . .
C8 Yb N2 29.93(18) . .
N1 Yb C2 30.23(19) . .
C8 Yb C2 103.8(2) . .
N2 Yb C2 130.6(2) . .
N1 Yb C5 30.04(16) . .
C8 Yb C5 136.0(2) . .
N2 Yb C5 161.47(17) . .
C2 Yb C5 48.9(2) . .
N1 Yb C9 109.4(2) . .
C8 Yb C9 30.3(2) . .
N2 Yb C9 50.1(2) . .
C2 Yb C9 80.7(2) . .
C5 Yb C9 126.4(2) . .
N1 Yb C11 136.82(17) . .
C8 Yb C11 48.08(19) . .
N2 Yb C11 29.29(17) . .
C2 Yb C11 120.4(2) . .
C5 Yb C11 166.86(19) . .
C9 Yb C11 48.7(2) . .
N1 Yb C3 49.67(19) . .
C8 Yb C3 89.7(2) . .
N2 Yb C3 119.6(2) . .
C2 Yb C3 29.5(2) . .
C5 Yb C3 48.8(2) . .
C9 Yb C3 78.7(2) . .
C11 Yb C3 127.3(2) . .
N1 Yb C4 49.82(18) . .
C8 Yb C4 106.8(2) . .
N2 Yb C4 132.42(19) . .
C2 Yb C4 48.9(2) . .
C5 Yb C4 29.8(2) . .
C9 Yb C4 105.6(2) . .
C11 Yb C4 153.3(2) . .
C3 Yb C4 29.6(2) . .
N1 Yb C10 111.27(19) . .
C8 Yb C10 48.9(2) . .
N2 Yb C10 49.4(2) . .
C2 Yb C10 91.0(2) . .
C5 Yb C10 139.2(2) . .
C9 Yb C10 29.6(2) . .
C11 Yb C10 29.5(2) . .
C3 Yb C10 101.2(2) . .
C4 Yb C10 130.6(2) . .
N1 Yb I2 120.52(11) . .
C8 Yb I2 92.42(14) . .
N2 Yb I2 79.57(11) . .
C2 Yb I2 136.52(15) . .
C5 Yb I2 92.03(13) . .
C9 Yb I2 122.68(16) . .
C11 Yb I2 100.50(14) . .
C3 Yb I2 113.06(16) . .
C4 Yb I2 87.92(15) . .
C10 Yb I2 128.17(16) . .
N1 Yb I1 79.60(11) . .
C8 Yb I1 133.80(14) . .
N2 Yb I1 107.16(11) . .
C2 Yb I1 103.36(15) . .
C5 Yb I1 89.60(13) . .
C9 Yb I1 123.56(15) . .
C11 Yb I1 85.87(14) . .
C3 Yb I1 129.22(16) . .
C4 Yb I1 119.26(16) . .
C10 Yb I1 94.21(16) . .
I2 Yb I1 92.877(15) . .
Li1 I1 Li1 76.2(4) 2_556 .
Li1 I1 Yb 75.8(2) 2_556 .
Li1 I1 Yb 130.5(2) . .
Li2 I2 Li2 76.0(4) 2 .
Li2 I2 Yb 125.7(2) 2 .
Li2 I2 Yb 76.5(2) . .
O1 Li1 N1 121.6(7) . 2_556
O1 Li1 I1 106.9(5) . 2_556
N1 Li1 I1 98.6(4) 2_556 2_556
O1 Li1 I1 102.9(5) . .
N1 Li1 I1 120.8(5) 2_556 .
I1 Li1 I1 103.8(4) 2_556 .
O1 Li1 Li1 114.5(6) . 2_556
N1 Li1 Li1 122.6(6) 2_556 2_556
I1 Li1 Li1 52.4(3) 2_556 2_556
I1 Li1 Li1 51.4(3) . 2_556
O1 Li1 Yb 118.1(5) . 2_556
N1 Li1 Yb 44.9(3) 2_556 2_556
I1 Li1 Yb 55.6(2) 2_556 2_556
I1 Li1 Yb 137.6(4) . 2_556
Li1 Li1 Yb 98.5(4) 2_556 2_556
O2 Li2 N2 122.2(6) . .
O2 Li2 I2 103.6(5) . 2
N2 Li2 I2 118.5(5) . 2
O2 Li2 I2 108.5(5) . .
N2 Li2 I2 98.2(5) . .
I2 Li2 I2 104.0(4) 2 .
O2 Li2 Li2 116.7(7) . 2
N2 Li2 Li2 120.2(6) . 2
I2 Li2 Li2 52.1(3) 2 2
I2 Li2 Li2 51.9(3) . 2
O2 Li2 Yb 122.7(5) . .
N2 Li2 Yb 44.5(3) . .
I2 Li2 Yb 132.7(4) 2 .
I2 Li2 Yb 54.9(2) . .
Li2 Li2 Yb 94.7(5) 2 .
C5 N1 C2 106.7(5) . .
C5 N1 Li1 124.1(6) . 2_556
C2 N1 Li1 127.9(5) . 2_556
C5 N1 Yb 77.3(3) . .
C2 N1 Yb 76.3(4) . .
Li1 N1 Yb 102.7(4) 2_556 .
C11 N2 C8 106.7(6) . .
C11 N2 Li2 125.0(5) . .
C8 N2 Li2 127.2(5) . .
C11 N2 Yb 78.4(4) . .
C8 N2 Yb 74.9(4) . .
Li2 N2 Yb 103.8(4) . .
C16 O1 C13 105.9(6) . .
C16 O1 Li1 126.9(6) . .
C13 O1 Li1 127.2(6) . .
C17 O2 C20 109.9(6) . .
C17 O2 Li2 129.1(6) . .
C20 O2 Li2 120.9(6) . .
C3 C2 N1 109.7(6) . .
C3 C2 C1 130.4(7) . .
N1 C2 C1 119.9(6) . .
C3 C2 Yb 78.0(4) . .
N1 C2 Yb 73.4(3) . .
C1 C2 Yb 117.3(5) . .
C2 C3 C4 107.5(6) . .
C2 C3 Yb 72.4(4) . .
C4 C3 Yb 75.3(4) . .
C5 C4 C3 106.8(6) . .
C5 C4 Yb 73.1(3) . .
C3 C4 Yb 75.1(4) . .
N1 C5 C4 109.3(6) . .
N1 C5 C6 121.6(6) . .
C4 C5 C6 129.1(6) . .
N1 C5 Yb 72.7(3) . .
C4 C5 Yb 77.1(4) . .
C6 C5 Yb 116.6(4) . .
N2 C8 C9 110.1(6) . .
N2 C8 C7 121.5(6) . .
C9 C8 C7 128.4(6) . .
N2 C8 Yb 75.2(3) . .
C9 C8 Yb 77.4(4) . .
C7 C8 Yb 113.7(5) . .
C10 C9 C8 106.2(6) . .
C10 C9 Yb 77.1(4) . .
C8 C9 Yb 72.4(4) . .
C11 C10 C9 106.7(6) . .
C11 C10 Yb 74.0(4) . .
C9 C10 Yb 73.2(4) . .
N2 C11 C10 110.2(6) . .
N2 C11 C12 122.7(6) . .
C10 C11 C12 127.0(6) . .
N2 C11 Yb 72.3(3) . .
C10 C11 Yb 76.6(4) . .
C12 C11 Yb 120.6(5) . .
O1 C13 C14 105.8(8) . .
C13 C14 C15 105.9(7) . .
C14 C15 C16 104.7(8) . .
O1 C16 C15 107.0(8) . .
C18 C17 O2 106.9(8) . .
C17 C18 C19 109.2(9) . .
C18 C19 C20 109.8(9) . .
C19 C20 O2 104.1(8) . .
C22 C21 C26 120.0 . .
C23 C22 C21 120.0 . .
C22 C23 C24 120.0 . .
C25 C24 C23 120.0 . .
C24 C25 C26 120.0 . .
C27 C26 C25 120.6(8) . .
C27 C26 C21 119.4(8) . .
C25 C26 C21 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb N1 2.652(5) .
Yb C8 2.670(7) .
Yb N2 2.674(5) .
Yb C2 2.689(6) .
Yb C5 2.710(6) .
Yb C9 2.734(7) .
Yb C11 2.750(6) .
Yb C3 2.759(7) .
Yb C4 2.761(6) .
Yb C10 2.783(7) .
Yb I2 3.1174(5) .
Yb I1 3.1203(5) .
I1 Li1 2.835(12) 2_556
I1 Li1 2.872(12) .
I2 Li2 2.851(12) 2
I2 Li2 2.861(13) .
Li1 O1 1.922(12) .
Li1 N1 2.011(12) 2_556
Li1 I1 2.835(12) 2_556
Li1 Li1 3.52(2) 2_556
Li1 Yb 3.663(11) 2_556
Li2 O2 1.908(13) .
Li2 N2 2.007(13) .
Li2 I2 2.851(12) 2
Li2 Li2 3.52(2) 2
N1 C5 1.391(8) .
N1 C2 1.393(9) .
N1 Li1 2.011(12) 2_556
N2 C11 1.373(8) .
N2 C8 1.380(8) .
O1 C16 1.399(10) .
O1 C13 1.437(10) .
O2 C17 1.438(9) .
O2 C20 1.483(9) .
C1 C2 1.505(9) .
C2 C3 1.390(10) .
C3 C4 1.409(10) .
C4 C5 1.407(10) .
C5 C6 1.476(10) .
C7 C8 1.495(9) .
C8 C9 1.412(10) .
C9 C10 1.412(10) .
C10 C11 1.408(10) .
C11 C12 1.482(9) .
C13 C14 1.475(13) .
C14 C15 1.483(15) .
C15 C16 1.485(13) .
C17 C18 1.422(13) .
C18 C19 1.434(17) .
C19 C20 1.449(14) .
C21 C22 1.3900 .
C21 C26 1.3900 .
C22 C23 1.3900 .
C23 C24 1.3900 .
C24 C25 1.3900 .
C25 C26 1.3900 .
C26 C27 1.36(3) .
