#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:59:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179946 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/41/7024165.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_7024165
loop_
_publ_author_name
'Hild, Frédéric'
'Haquette, Pierre'
'Brelot, Lydia'
'Dagorne, Samuel'
_publ_section_title
;
 Synthesis and structural characterization of well-defined anionic
 aluminum alkoxide complexes supported by NON-type diamido ether
 tridentate ligands and their use for the controlled ROP of lactide.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              533
_journal_page_last               540
_journal_paper_doi               10.1039/b911802k
_journal_volume                  39
_journal_year                    2010
_chemical_formula_moiety         'C28 H40 Al Li N2 O2, C H2 Cl2'
_chemical_formula_sum            'C29 H42 Al Cl2 Li N2 O2'
_chemical_formula_weight         555.47
_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                107.8950(9)
_cell_angle_beta                 106.3370(9)
_cell_angle_gamma                91.0310(9)
_cell_formula_units_Z            2
_cell_length_a                   9.4620(2)
_cell_length_b                   12.1940(3)
_cell_length_c                   14.0420(3)
_cell_measurement_reflns_used    11473
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      1.018
_cell_volume                     1469.82(6)
_computing_cell_refinement       'Denzo (Nonius B.V., 1998)'
_computing_data_collection       'Collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo (Nonius B.V., 1998)'
_computing_molecular_graphics    'PLATON 98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'π 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  0.0599
_diffrn_reflns_av_sigmaI/netI    0.0657
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19301
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    0.279
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             592
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.686
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         8573
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0538
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+0.6000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1372
_refine_ls_wR_factor_ref         0.1600
_reflns_number_gt                6143
_reflns_number_total             8573
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b911802k.txt
_cod_data_source_block           2b
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7024165
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
Cl1 Cl 0.05222(9) 0.47089(6) 0.23162(5) 0.0677(2) Uani 1 1 d
Cl2 Cl 0.07916(12) 0.59694(7) 0.44902(7) 0.0967(3) Uani 1 1 d
Al Al 0.55474(5) 0.18825(4) 0.18332(4) 0.02044(12) Uani 1 1 d
O2 O 0.68866(16) 0.17049(10) -0.07927(10) 0.0344(3) Uani 1 1 d
O1 O 0.28046(13) 0.09136(9) 0.05803(9) 0.0223(2) Uani 1 1 d
N1 N 0.44501(15) 0.30274(11) 0.14746(11) 0.0220(3) Uani 1 1 d
N2 N 0.46123(15) 0.09612(11) 0.24148(11) 0.0211(3) Uani 1 1 d
C26 C 0.7778(2) 0.30453(17) -0.14657(17) 0.0386(4) Uani 1 1 d
H26A H 0.6962 0.3495 -0.1687 0.046 Uiso 1 1 calc
H26B H 0.8542 0.3112 -0.1810 0.046 Uiso 1 1 calc
C25 C 0.7213(3) 0.17923(17) -0.17141(16) 0.0433(5) Uani 1 1 d
H25A H 0.6308 0.1558 -0.2326 0.052 Uiso 1 1 calc
H25B H 0.7974 0.1282 -0.1878 0.052 Uiso 1 1 calc
C27 C 0.8433(2) 0.34485(16) -0.02834(16) 0.0374(4) Uani 1 1 d
H27A H 0.8469 0.4300 0.0022 0.045 Uiso 1 1 calc
H27B H 0.9442 0.3219 -0.0069 0.045 Uiso 1 1 calc
C22 C 0.8151(2) 0.05917(19) 0.50165(17) 0.0406(5) Uani 1 1 d
H22A H 0.8601 0.0312 0.5613 0.049 Uiso 1 1 calc
H22B H 0.8939 0.1060 0.4927 0.049 Uiso 1 1 calc
C9 C 0.01518(19) 0.15863(15) 0.21152(16) 0.0316(4) Uani 1 1 d
H9 H -0.0840 0.1760 0.2043 0.038 Uiso 1 1 calc
C17 C 0.4877(3) 0.56156(16) 0.39344(17) 0.0455(6) Uani 1 1 d
H17A H 0.4050 0.6006 0.3623 0.055 Uiso 1 1 calc
H17B H 0.4843 0.5664 0.4644 0.055 Uiso 1 1 calc
C18 C 0.4690(2) 0.43424(15) 0.32539(15) 0.0350(4) Uani 1 1 d
H18A H 0.5495 0.3942 0.3578 0.042 Uiso 1 1 calc
H18B H 0.3733 0.3957 0.3209 0.042 Uiso 1 1 calc
C16 C 0.6338(3) 0.62279(18) 0.40196(16) 0.0486(6) Uani 1 1 d
H16A H 0.7166 0.5871 0.4376 0.058 Uiso 1 1 calc
H16B H 0.6425 0.7053 0.4450 0.058 Uiso 1 1 calc
C13 C 0.47330(19) 0.42555(13) 0.21563(13) 0.0236(3) Uani 1 1 d
H13 H 0.3905 0.4665 0.1854 0.028 Uiso 1 1 calc
C19 C 0.54810(18) 0.06682(13) 0.33410(13) 0.0226(3) Uani 1 1 d
H19 H 0.4789 0.0183 0.3513 0.027 Uiso 1 1 calc
C10 C 0.1034(2) 0.15083(15) 0.30491(15) 0.0308(4) Uani 1 1 d
H10 H 0.0630 0.1606 0.3613 0.037 Uiso 1 1 calc
C1 C 0.34360(18) 0.27888(13) 0.04914(13) 0.0227(3) Uani 1 1 d
C7 C 0.21877(18) 0.11918(13) 0.14197(13) 0.0211(3) Uani 1 1 d
C20 C 0.6158(2) 0.17208(14) 0.43267(13) 0.0282(4) Uani 1 1 d
H20A H 0.6866 0.2214 0.4188 0.034 Uiso 1 1 calc
H20B H 0.5363 0.2188 0.4497 0.034 Uiso 1 1 calc
C6 C 0.26043(18) 0.16895(13) -0.00034(13) 0.0231(3) Uani 1 1 d
C8 C 0.07304(19) 0.14068(14) 0.12736(14) 0.0268(3) Uani 1 1 d
H8 H 0.0131 0.1432 0.0614 0.032 Uiso 1 1 calc
C24 C 0.6695(2) -0.00654(15) 0.30847(14) 0.0293(4) Uani 1 1 d
H24A H 0.7406 0.0390 0.2913 0.035 Uiso 1 1 calc
H24B H 0.6250 -0.0758 0.2463 0.035 Uiso 1 1 calc
C12 C 0.31450(17) 0.11511(12) 0.23733(13) 0.0211(3) Uani 1 1 d
C11 C 0.2504(2) 0.12904(14) 0.31892(14) 0.0267(3) Uani 1 1 d
H11 H 0.3082 0.1235 0.3843 0.032 Uiso 1 1 calc
C5 C 0.1606(2) 0.13448(15) -0.09952(14) 0.0285(4) Uani 1 1 d
H5 H 0.1098 0.0582 -0.1297 0.034 Uiso 1 1 calc
C2 C 0.3127(2) 0.35660(15) -0.00896(14) 0.0293(4) Uani 1 1 d
H2 H 0.3635 0.4329 0.0204 0.035 Uiso 1 1 calc
C3 C 0.2096(2) 0.32374(16) -0.10805(15) 0.0318(4) Uani 1 1 d
H3 H 0.1899 0.3786 -0.1444 0.038 Uiso 1 1 calc
C4 C 0.1350(2) 0.21287(16) -0.15520(14) 0.0322(4) Uani 1 1 d
H4 H 0.0676 0.1906 -0.2241 0.039 Uiso 1 1 calc
C14 C 0.6182(2) 0.48830(15) 0.22102(15) 0.0323(4) Uani 1 1 d
H14A H 0.6154 0.4868 0.1496 0.039 Uiso 1 1 calc
H14B H 0.7019 0.4467 0.2467 0.039 Uiso 1 1 calc
C21 C 0.6959(2) 0.13446(17) 0.52602(15) 0.0352(4) Uani 1 1 d
H21A H 0.7415 0.2040 0.5877 0.042 Uiso 1 1 calc
H21B H 0.6235 0.0907 0.5437 0.042 Uiso 1 1 calc
C15 C 0.6446(3) 0.61482(16) 0.29379(16) 0.0404(5) Uani 1 1 d
H15A H 0.7441 0.6495 0.3011 0.049 Uiso 1 1 calc
H15B H 0.5702 0.6597 0.2622 0.049 Uiso 1 1 calc
C23 C 0.7518(2) -0.04487(17) 0.40183(17) 0.0381(4) Uani 1 1 d
H23A H 0.6826 -0.0972 0.4141 0.046 Uiso 1 1 calc
H23B H 0.8335 -0.0887 0.3850 0.046 Uiso 1 1 calc
C28 C 0.7341(2) 0.28112(16) 0.00335(15) 0.0365(4) Uani 1 1 d
H28A H 0.7821 0.2703 0.0717 0.044 Uiso 1 1 calc
H28B H 0.6478 0.3247 0.0088 0.044 Uiso 1 1 calc
C29 C 0.0533(3) 0.4608(2) 0.3533(2) 0.0539(6) Uani 1 1 d
H29A H 0.1338 0.4152 0.3763 0.065 Uiso 1 1 calc
H29B H -0.0419 0.4189 0.3457 0.065 Uiso 1 1 calc
Li Li 0.4089(4) -0.0361(2) 0.0698(3) 0.0305(6) Uani 1 1 d
H1AL H 0.711(2) 0.2431(17) 0.2591(16) 0.030(5) Uiso 1 1 d
H2AL H 0.572(2) 0.0957(17) 0.0811(16) 0.031(5) Uiso 1 1 d
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'
Al Al 0.0645 0.0514 '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'
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 Al N2 114.42(6) . .
N1 Al Li 112.50(8) . .
N2 Al Li 56.25(7) . .
N1 Al H1AL 110.1(8) . .
N2 Al H1AL 110.2(7) . .
Li Al H1AL 136.9(7) . .
N1 Al H2AL 109.9(8) . .
N2 Al H2AL 102.8(7) . .
Li Al H2AL 49.4(7) . .
H1AL Al H2AL 109.1(10) . .
C28 O2 C25 108.98(13) . .
C28 O2 Li 125.21(14) . 2_655
C25 O2 Li 125.74(14) . 2_655
C7 O1 C6 115.28(12) . .
C7 O1 Li 108.43(13) . .
C6 O1 Li 135.14(13) . .
C1 N1 C13 116.22(13) . .
C1 N1 Al 120.64(10) . .
C13 N1 Al 122.72(11) . .
C12 N2 C19 115.43(12) . .
C12 N2 Al 114.84(10) . .
C19 N2 Al 120.19(10) . .
C12 N2 Li 96.80(12) . .
C19 N2 Li 121.56(12) . .
Al N2 Li 81.46(9) . .
C25 C26 C27 102.57(16) . .
C25 C26 H26A 111.3 . .
C27 C26 H26A 111.3 . .
C25 C26 H26B 111.3 . .
C27 C26 H26B 111.3 . .
H26A C26 H26B 109.2 . .
O2 C25 C26 106.71(15) . .
O2 C25 H25A 110.4 . .
C26 C25 H25A 110.4 . .
O2 C25 H25B 110.4 . .
C26 C25 H25B 110.4 . .
H25A C25 H25B 108.6 . .
C26 C27 C28 101.74(16) . .
C26 C27 H27A 111.4 . .
C28 C27 H27A 111.4 . .
C26 C27 H27B 111.4 . .
C28 C27 H27B 111.4 . .
H27A C27 H27B 109.3 . .
C21 C22 C23 111.35(17) . .
C21 C22 H22A 109.4 . .
C23 C22 H22A 109.4 . .
C21 C22 H22B 109.4 . .
C23 C22 H22B 109.4 . .
H22A C22 H22B 108.0 . .
C10 C9 C8 119.24(16) . .
C10 C9 H9 120.4 . .
C8 C9 H9 120.4 . .
C16 C17 C18 110.82(18) . .
C16 C17 H17A 109.5 . .
C18 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
C18 C17 H17B 109.5 . .
H17A C17 H17B 108.1 . .
C13 C18 C17 110.03(14) . .
C13 C18 H18A 109.7 . .
C17 C18 H18A 109.7 . .
C13 C18 H18B 109.7 . .
C17 C18 H18B 109.7 . .
H18A C18 H18B 108.2 . .
C17 C16 C15 110.99(18) . .
C17 C16 H16A 109.4 . .
C15 C16 H16A 109.4 . .
C17 C16 H16B 109.4 . .
C15 C16 H16B 109.4 . .
H16A C16 H16B 108.0 . .
N1 C13 C18 110.17(13) . .
N1 C13 C14 113.70(13) . .
C18 C13 C14 110.55(15) . .
N1 C13 H13 107.4 . .
C18 C13 H13 107.4 . .
C14 C13 H13 107.4 . .
N2 C19 C24 110.71(13) . .
N2 C19 C20 114.40(13) . .
C24 C19 C20 109.67(14) . .
N2 C19 H19 107.2 . .
C24 C19 H19 107.2 . .
C20 C19 H19 107.2 . .
C9 C10 C11 121.67(16) . .
C9 C10 H10 119.2 . .
C11 C10 H10 119.2 . .
N1 C1 C6 119.35(14) . .
N1 C1 C2 125.74(14) . .
C6 C1 C2 114.91(15) . .
C8 C7 C12 123.93(15) . .
C8 C7 O1 121.38(15) . .
C12 C7 O1 114.55(13) . .
C21 C20 C19 111.18(14) . .
C21 C20 H20A 109.4 . .
C19 C20 H20A 109.4 . .
C21 C20 H20B 109.4 . .
C19 C20 H20B 109.4 . .
H20A C20 H20B 108.0 . .
C5 C6 C1 124.22(15) . .
C5 C6 O1 119.04(14) . .
C1 C6 O1 116.73(14) . .
C7 C8 C9 118.65(17) . .
C7 C8 H8 120.7 . .
C9 C8 H8 120.7 . .
C19 C24 C23 110.68(15) . .
C19 C24 H24A 109.5 . .
C23 C24 H24A 109.5 . .
C19 C24 H24B 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 108.1 . .
N2 C12 C7 117.56(13) . .
N2 C12 C11 126.77(15) . .
C7 C12 C11 115.66(15) . .
C10 C11 C12 120.74(17) . .
C10 C11 H11 119.6 . .
C12 C11 H11 119.6 . .
C6 C5 C4 119.19(16) . .
C6 C5 H5 120.4 . .
C4 C5 H5 120.4 . .
C3 C2 C1 121.36(16) . .
C3 C2 H2 119.3 . .
C1 C2 H2 119.3 . .
C4 C3 C2 121.53(16) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C3 C4 C5 118.72(16) . .
C3 C4 H4 120.6 . .
C5 C4 H4 120.6 . .
C13 C14 C15 112.07(15) . .
C13 C14 H14A 109.2 . .
C15 C14 H14A 109.2 . .
C13 C14 H14B 109.2 . .
C15 C14 H14B 109.2 . .
H14A C14 H14B 107.9 . .
C22 C21 C20 111.01(16) . .
C22 C21 H21A 109.4 . .
C20 C21 H21A 109.4 . .
C22 C21 H21B 109.4 . .
C20 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C16 C15 C14 111.30(16) . .
C16 C15 H15A 109.4 . .
C14 C15 H15A 109.4 . .
C16 C15 H15B 109.4 . .
C14 C15 H15B 109.4 . .
H15A C15 H15B 108.0 . .
C22 C23 C24 111.49(16) . .
C22 C23 H23A 109.3 . .
C24 C23 H23A 109.3 . .
C22 C23 H23B 109.3 . .
C24 C23 H23B 109.3 . .
H23A C23 H23B 108.0 . .
O2 C28 C27 105.01(15) . .
O2 C28 H28A 110.7 . .
C27 C28 H28A 110.7 . .
O2 C28 H28B 110.7 . .
C27 C28 H28B 110.7 . .
H28A C28 H28B 108.8 . .
Cl1 C29 Cl2 112.18(14) . .
Cl1 C29 H29A 109.2 . .
Cl2 C29 H29A 109.2 . .
Cl1 C29 H29B 109.2 . .
Cl2 C29 H29B 109.2 . .
H29A C29 H29B 107.9 . .
O2 Li O1 114.46(16) 2_655 .
O2 Li N2 102.47(14) 2_655 .
O1 Li N2 74.00(10) . .
O2 Li Al 144.64(16) 2_655 .
O1 Li Al 65.69(9) . .
N2 Li Al 42.28(6) . .
O2 Li H2AL 163.8(6) 2_655 .
O1 Li H2AL 80.4(6) . .
N2 Li H2AL 74.6(5) . .
Al Li H2AL 34.1(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C29 1.747(3) .
Cl2 C29 1.747(3) .
Al N1 1.8630(14) .
Al N2 1.9096(14) .
Al Li 2.807(3) .
Al H1AL 1.55(2) .
Al H2AL 1.58(2) .
O2 C28 1.445(2) .
O2 C25 1.445(2) .
O2 Li 1.925(3) 2_655
O1 C7 1.4118(18) .
O1 C6 1.4136(19) .
O1 Li 2.009(3) .
N1 C1 1.382(2) .
N1 C13 1.4802(19) .
N2 C12 1.400(2) .
N2 C19 1.480(2) .
N2 Li 2.360(3) .
C26 C25 1.510(3) .
C26 C27 1.513(3) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C27 C28 1.521(3) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C22 C21 1.514(3) .
C22 C23 1.530(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C9 C10 1.375(3) .
C9 C8 1.398(2) .
C9 H9 0.9500 .
C17 C16 1.515(4) .
C17 C18 1.529(2) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C13 1.524(2) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C16 C15 1.525(3) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C13 C14 1.530(2) .
C13 H13 1.0000 .
C19 C24 1.523(2) .
C19 C20 1.534(2) .
C19 H19 1.0000 .
C10 C11 1.391(2) .
C10 H10 0.9500 .
C1 C6 1.408(2) .
C1 C2 1.414(2) .
C7 C8 1.378(2) .
C7 C12 1.406(2) .
C20 C21 1.525(3) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C6 C5 1.376(2) .
C8 H8 0.9500 .
C24 C23 1.536(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C12 C11 1.408(2) .
C11 H11 0.9500 .
C5 C4 1.395(3) .
C5 H5 0.9500 .
C2 C3 1.388(3) .
C2 H2 0.9500 .
C3 C4 1.385(3) .
C3 H3 0.9500 .
C4 H4 0.9500 .
C14 C15 1.536(2) .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
Li O2 1.925(3) 2_655
Li H2AL 2.15(2) .
