#------------------------------------------------------------------------------
#$Date: 2019-11-17 12:08:31 +0200 (Sun, 17 Nov 2019) $
#$Revision: 229787 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/53/7045312.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_7045312
loop_
_publ_author_name
'García-Rodríguez, Raúl'
'Kopf, Sara'
'Wright, Dominic S.'
_publ_section_title
;
 Modifying the donor properties of tris(pyridyl)aluminates in
 lanthanide(ii) sandwich compounds.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2232
_journal_page_last               2239
_journal_paper_doi               10.1039/c7dt04657j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C40 H46 Al2 Eu N6, C16 H32 I2 Li2 O4'
_chemical_formula_sum            'C56 H78 Al2 Eu I2 Li2 N6 O4'
_chemical_formula_weight         1372.84
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2017-11-24 deposited with the CCDC.
2018-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                98.9180(10)
_cell_angle_beta                 102.0510(10)
_cell_angle_gamma                108.7050(10)
_cell_formula_units_Z            1
_cell_length_a                   9.4740(2)
_cell_length_b                   10.4528(2)
_cell_length_c                   17.1753(4)
_cell_measurement_reflns_used    9311
_cell_measurement_temperature    220(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1529.62(6)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1999)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      220(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ-scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0385
_diffrn_reflns_av_unetI/netI     0.0488
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16615
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.509
_diffrn_reflns_theta_min         3.520
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.109
_exptl_absorpt_correction_T_max  0.809
_exptl_absorpt_correction_T_min  0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;     
SORTAV (Blessing, 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.490
_exptl_crystal_description       block
_exptl_crystal_F_000             689
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: THF/hexane'
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         0.487
_refine_diff_density_min         -1.065
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         6772
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0377
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0208P)²+2.2458P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0750
_refine_ls_wR_factor_ref         0.0828
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5309
_reflns_number_total             6772
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt04657j2.cif
_cod_data_source_block           compound_3LiI
_cod_depositor_comments
'Adding full bibliography for 7045310--7045315.cif.'
_cod_database_code               7045312
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.703
_shelx_estimated_absorpt_t_max   0.786
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Eu1 Eu 0.500000 0.500000 0.500000 0.02848(8) Uani 1 2 d S . P
Al1 Al 0.34729(12) 0.66099(10) 0.35247(6) 0.0265(2) Uani 1 1 d . . .
N1 N 0.2438(4) 0.3672(3) 0.37324(19) 0.0332(7) Uani 1 1 d . . .
N2 N 0.4007(4) 0.7116(3) 0.53300(19) 0.0348(7) Uani 1 1 d . . .
N3 N 0.6555(4) 0.6292(3) 0.40285(19) 0.0332(7) Uani 1 1 d . . .
C1 C 0.2591(5) 0.7415(4) 0.2656(2) 0.0405(9) Uani 1 1 d . . .
H1A H 0.160132 0.744554 0.272645 0.049 Uiso 1 1 calc R U .
H1B H 0.329348 0.837685 0.273958 0.049 Uiso 1 1 calc R U .
C2 C 0.2313(5) 0.6643(5) 0.1768(3) 0.0550(12) Uani 1 1 d . . .
H2A H 0.172724 0.701728 0.139454 0.082 Uiso 1 1 calc R U .
H2B H 0.173513 0.566005 0.169415 0.082 Uiso 1 1 calc R U .
H2C H 0.330232 0.676301 0.165341 0.082 Uiso 1 1 calc R U .
C11 C 0.2027(4) 0.4624(4) 0.3364(2) 0.0303(8) Uani 1 1 d . . .
C12 C 0.0508(5) 0.4226(4) 0.2878(2) 0.0383(9) Uani 1 1 d . . .
H12A H 0.020849 0.487773 0.263404 0.046 Uiso 1 1 calc R U .
C13 C -0.0572(5) 0.2899(4) 0.2745(3) 0.0468(11) Uani 1 1 d . . .
H13A H -0.159071 0.264714 0.241575 0.056 Uiso 1 1 calc R U .
C14 C -0.0115(5) 0.1956(4) 0.3109(3) 0.0439(10) Uani 1 1 d . . .
H14A H -0.081359 0.104088 0.302236 0.053 Uiso 1 1 calc R U .
C15 C 0.1385(5) 0.2375(4) 0.3602(3) 0.0401(9) Uani 1 1 d . . .
C16 C 0.1904(6) 0.1366(5) 0.4006(3) 0.0579(13) Uani 1 1 d . . .
H16A H 0.287117 0.186905 0.443117 0.087 Uiso 1 1 calc R U .
H16B H 0.205842 0.070621 0.360051 0.087 Uiso 1 1 calc R U .
H16C H 0.111993 0.087210 0.424794 0.087 Uiso 1 1 calc R U .
C21 C 0.3557(4) 0.7582(4) 0.4652(2) 0.0285(8) Uani 1 1 d . . .
C22 C 0.3111(4) 0.8734(4) 0.4752(2) 0.0364(9) Uani 1 1 d . . .
H22A H 0.280198 0.906464 0.429101 0.044 Uiso 1 1 calc R U .
C23 C 0.3113(5) 0.9400(4) 0.5515(3) 0.0430(10) Uani 1 1 d . . .
H23A H 0.280560 1.017213 0.557349 0.052 Uiso 1 1 calc R U .
C24 C 0.3570(5) 0.8915(4) 0.6184(3) 0.0401(9) Uani 1 1 d . . .
H24A H 0.358400 0.935001 0.670914 0.048 Uiso 1 1 calc R U .
C25 C 0.4011(5) 0.7772(4) 0.6074(2) 0.0374(9) Uani 1 1 d . . .
C26 C 0.4479(7) 0.7199(6) 0.6797(3) 0.0634(14) Uani 1 1 d . . .
H26A H 0.535067 0.692483 0.675357 0.095 Uiso 1 1 calc R U .
H26B H 0.361359 0.639656 0.680220 0.095 Uiso 1 1 calc R U .
H26C H 0.477385 0.790772 0.729961 0.095 Uiso 1 1 calc R U .
C31 C 0.5668(4) 0.6779(3) 0.3509(2) 0.0291(8) Uani 1 1 d . . .
C32 C 0.6315(5) 0.7500(4) 0.2973(2) 0.0337(8) Uani 1 1 d . . .
H32A H 0.570407 0.781984 0.260457 0.040 Uiso 1 1 calc R U .
C33 C 0.7838(5) 0.7751(4) 0.2975(3) 0.0394(9) Uani 1 1 d . . .
H33A H 0.827180 0.825825 0.262125 0.047 Uiso 1 1 calc R U .
C34 C 0.8704(5) 0.7254(4) 0.3498(3) 0.0409(10) Uani 1 1 d . . .
H34A H 0.974114 0.740999 0.350487 0.049 Uiso 1 1 calc R U .
C35 C 0.8043(4) 0.6514(4) 0.4021(2) 0.0366(9) Uani 1 1 d . . .
C36 C 0.8964(5) 0.5928(5) 0.4579(3) 0.0546(12) Uani 1 1 d . . .
H36A H 0.827026 0.523297 0.477749 0.082 Uiso 1 1 calc R U .
H36B H 0.969145 0.666867 0.503983 0.082 Uiso 1 1 calc R U .
H36C H 0.952846 0.550258 0.428149 0.082 Uiso 1 1 calc R U .
I1 I 0.62651(3) -0.05603(3) 0.10377(2) 0.05042(10) Uani 1 1 d . . .
Li1 Li 0.5042(9) 0.1408(8) 0.0665(5) 0.0514(18) Uani 1 1 d . . .
O1S O 0.3388(4) 0.1377(4) 0.1155(2) 0.0617(9) Uani 1 1 d . . .
O2S O 0.6584(4) 0.3280(3) 0.0957(2) 0.0591(9) Uani 1 1 d . . .
C1S C 0.2451(7) 0.0078(7) 0.1267(5) 0.0873(19) Uani 1 1 d . . .
H1SA H 0.303721 -0.017817 0.171796 0.105 Uiso 1 1 calc R U .
H1SB H 0.215768 -0.065476 0.076679 0.105 Uiso 1 1 calc R U .
C2S C 0.1067(9) 0.0214(9) 0.1452(6) 0.122(3) Uani 1 1 d . . .
H2SA H 0.117937 0.037663 0.204256 0.146 Uiso 1 1 calc R U .
H2SB H 0.014780 -0.062022 0.116735 0.146 Uiso 1 1 calc R U .
C3S C 0.0961(10) 0.1470(9) 0.1135(6) 0.125(3) Uani 1 1 d . . .
H3SA H 0.016820 0.117153 0.060774 0.150 Uiso 1 1 calc R U .
H3SB H 0.068414 0.207060 0.152573 0.150 Uiso 1 1 calc R U .
C4S C 0.2450(8) 0.2204(8) 0.1042(5) 0.107(2) Uani 1 1 d . . .
H4SA H 0.294306 0.309845 0.144795 0.128 Uiso 1 1 calc R U .
H4SB H 0.233776 0.238530 0.049386 0.128 Uiso 1 1 calc R U .
C5S C 0.6554(8) 0.4567(5) 0.1348(4) 0.0824(18) Uani 1 1 d . . .
H5SA H 0.692128 0.472677 0.194491 0.099 Uiso 1 1 calc R U .
H5SB H 0.549302 0.455897 0.120748 0.099 Uiso 1 1 calc R U .
C6S C 0.7583(9) 0.5686(6) 0.1059(4) 0.090(2) Uani 1 1 d . . .
H6SA H 0.707444 0.632794 0.090652 0.108 Uiso 1 1 calc R U .
H6SB H 0.855774 0.621370 0.148648 0.108 Uiso 1 1 calc R U .
C7S C 0.7871(8) 0.4947(6) 0.0335(4) 0.0785(17) Uani 1 1 d . . .
H7SA H 0.890883 0.543547 0.028639 0.094 Uiso 1 1 calc R U .
H7SB H 0.709756 0.484630 -0.017103 0.094 Uiso 1 1 calc R U .
C8S C 0.7728(6) 0.3573(5) 0.0516(3) 0.0660(14) Uani 1 1 d . . .
H8SA H 0.740077 0.285432 0.000619 0.079 Uiso 1 1 calc R U .
H8SB H 0.872221 0.360913 0.084783 0.079 Uiso 1 1 calc R U .
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'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Eu Eu -0.1578 3.6682 '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'
Li Li -0.0003 0.0001 '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'
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
N3 Eu1 N3 180.0 . 2_666
N3 Eu1 N1 88.49(9) . 2_666
N3 Eu1 N1 91.51(9) 2_666 2_666
N3 Eu1 N1 91.51(9) . .
N3 Eu1 N1 88.49(10) 2_666 .
N1 Eu1 N1 180.00(12) 2_666 .
N3 Eu1 N2 89.74(9) . 2_666
N3 Eu1 N2 90.26(9) 2_666 2_666
N1 Eu1 N2 89.92(9) 2_666 2_666
N1 Eu1 N2 90.08(9) . 2_666
N3 Eu1 N2 90.26(9) . .
N3 Eu1 N2 89.74(9) 2_666 .
N1 Eu1 N2 90.08(9) 2_666 .
N1 Eu1 N2 89.92(9) . .
N2 Eu1 N2 180.00(6) 2_666 .
N3 Eu1 Al1 55.39(7) . .
N3 Eu1 Al1 124.61(7) 2_666 .
N1 Eu1 Al1 124.52(7) 2_666 .
N1 Eu1 Al1 55.48(7) . .
N2 Eu1 Al1 125.48(7) 2_666 .
N2 Eu1 Al1 54.52(7) . .
N3 Eu1 Al1 124.61(7) . 2_666
N3 Eu1 Al1 55.39(7) 2_666 2_666
N1 Eu1 Al1 55.48(7) 2_666 2_666
N1 Eu1 Al1 124.52(7) . 2_666
N2 Eu1 Al1 54.52(7) 2_666 2_666
N2 Eu1 Al1 125.48(7) . 2_666
Al1 Eu1 Al1 180.0 . 2_666
C1 Al1 C21 112.06(16) . .
C1 Al1 C11 108.78(17) . .
C21 Al1 C11 104.59(15) . .
C1 Al1 C31 109.88(16) . .
C21 Al1 C31 108.13(15) . .
C11 Al1 C31 113.35(14) . .
C1 Al1 Eu1 176.93(13) . .
C21 Al1 Eu1 70.79(10) . .
C11 Al1 Eu1 68.99(11) . .
C31 Al1 Eu1 69.70(10) . .
C15 N1 C11 119.7(3) . .
C15 N1 Eu1 127.5(3) . .
C11 N1 Eu1 109.7(2) . .
C25 N2 C21 119.8(3) . .
C25 N2 Eu1 127.0(2) . .
C21 N2 Eu1 113.0(2) . .
C35 N3 C31 120.1(3) . .
C35 N3 Eu1 128.1(2) . .
C31 N3 Eu1 111.7(2) . .
C2 C1 Al1 115.9(3) . .
C2 C1 H1A 108.3 . .
Al1 C1 H1A 108.3 . .
C2 C1 H1B 108.3 . .
Al1 C1 H1B 108.3 . .
H1A C1 H1B 107.4 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C11 C12 118.4(3) . .
N1 C11 Al1 123.8(3) . .
C12 C11 Al1 117.8(3) . .
C13 C12 C11 122.0(4) . .
C13 C12 H12A 119.0 . .
C11 C12 H12A 119.0 . .
C14 C13 C12 118.3(4) . .
C14 C13 H13A 120.9 . .
C12 C13 H13A 120.9 . .
C13 C14 C15 119.1(4) . .
C13 C14 H14A 120.5 . .
C15 C14 H14A 120.5 . .
N1 C15 C14 122.6(4) . .
N1 C15 C16 117.5(4) . .
C14 C15 C16 120.0(4) . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N2 C21 C22 118.5(3) . .
N2 C21 Al1 121.4(2) . .
C22 C21 Al1 120.0(3) . .
C23 C22 C21 121.4(4) . .
C23 C22 H22A 119.3 . .
C21 C22 H22A 119.3 . .
C24 C23 C22 118.9(3) . .
C24 C23 H23A 120.5 . .
C22 C23 H23A 120.5 . .
C23 C24 C25 118.9(4) . .
C23 C24 H24A 120.6 . .
C25 C24 H24A 120.6 . .
N2 C25 C24 122.5(4) . .
N2 C25 C26 117.7(3) . .
C24 C25 C26 119.8(4) . .
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 . .
N3 C31 C32 119.0(3) . .
N3 C31 Al1 123.1(3) . .
C32 C31 Al1 117.8(3) . .
C33 C32 C31 121.0(4) . .
C33 C32 H32A 119.5 . .
C31 C32 H32A 119.5 . .
C34 C33 C32 119.1(4) . .
C34 C33 H33A 120.5 . .
C32 C33 H33A 120.5 . .
C33 C34 C35 119.6(4) . .
C33 C34 H34A 120.2 . .
C35 C34 H34A 120.2 . .
N3 C35 C34 121.2(3) . .
N3 C35 C36 118.6(3) . .
C34 C35 C36 120.1(4) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
Li1 I1 Li1 75.4(2) . 2_655
O1S Li1 O2S 110.0(4) . .
O1S Li1 I1 111.6(3) . .
O2S Li1 I1 113.4(3) . .
O1S Li1 I1 107.2(3) . 2_655
O2S Li1 I1 109.8(3) . 2_655
I1 Li1 I1 104.6(2) . 2_655
O1S Li1 Li1 122.8(5) . 2_655
O2S Li1 Li1 126.9(5) . 2_655
I1 Li1 Li1 52.9(2) . 2_655
I1 Li1 Li1 51.7(2) 2_655 2_655
C4S O1S C1S 108.0(5) . .
C4S O1S Li1 125.7(4) . .
C1S O1S Li1 118.2(4) . .
C5S O2S C8S 107.9(4) . .
C5S O2S Li1 130.9(4) . .
C8S O2S Li1 118.0(4) . .
O1S C1S C2S 108.9(5) . .
O1S C1S H1SA 109.9 . .
C2S C1S H1SA 109.9 . .
O1S C1S H1SB 109.9 . .
C2S C1S H1SB 109.9 . .
H1SA C1S H1SB 108.3 . .
C1S C2S C3S 103.3(6) . .
C1S C2S H2SA 111.1 . .
C3S C2S H2SA 111.1 . .
C1S C2S H2SB 111.1 . .
C3S C2S H2SB 111.1 . .
H2SA C2S H2SB 109.1 . .
C4S C3S C2S 107.0(6) . .
C4S C3S H3SA 110.3 . .
C2S C3S H3SA 110.3 . .
C4S C3S H3SB 110.3 . .
C2S C3S H3SB 110.3 . .
H3SA C3S H3SB 108.6 . .
C3S C4S O1S 108.8(6) . .
C3S C4S H4SA 109.9 . .
O1S C4S H4SA 109.9 . .
C3S C4S H4SB 109.9 . .
O1S C4S H4SB 109.9 . .
H4SA C4S H4SB 108.3 . .
O2S C5S C6S 107.7(4) . .
O2S C5S H5SA 110.2 . .
C6S C5S H5SA 110.2 . .
O2S C5S H5SB 110.2 . .
C6S C5S H5SB 110.2 . .
H5SA C5S H5SB 108.5 . .
C7S C6S C5S 104.9(5) . .
C7S C6S H6SA 110.8 . .
C5S C6S H6SA 110.8 . .
C7S C6S H6SB 110.8 . .
C5S C6S H6SB 110.8 . .
H6SA C6S H6SB 108.8 . .
C6S C7S C8S 102.8(5) . .
C6S C7S H7SA 111.2 . .
C8S C7S H7SA 111.2 . .
C6S C7S H7SB 111.2 . .
C8S C7S H7SB 111.2 . .
H7SA C7S H7SB 109.1 . .
O2S C8S C7S 106.0(4) . .
O2S C8S H8SA 110.5 . .
C7S C8S H8SA 110.5 . .
O2S C8S H8SB 110.5 . .
C7S C8S H8SB 110.5 . .
H8SA C8S H8SB 108.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 N3 2.689(3) .
Eu1 N3 2.689(3) 2_666
Eu1 N1 2.693(3) 2_666
Eu1 N1 2.693(3) .
Eu1 N2 2.696(3) 2_666
Eu1 N2 2.696(3) .
Eu1 Al1 3.5635(10) .
Eu1 Al1 3.5636(10) 2_666
Al1 C1 1.988(4) .
Al1 C21 2.014(4) .
Al1 C11 2.025(4) .
Al1 C31 2.036(4) .
N1 C15 1.353(5) .
N1 C11 1.373(5) .
N2 C25 1.352(5) .
N2 C21 1.370(5) .
N3 C35 1.356(5) .
N3 C31 1.365(4) .
C1 C2 1.537(6) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C2 H2C 0.9700 .
C11 C12 1.396(5) .
C12 C13 1.385(6) .
C12 H12A 0.9400 .
C13 C14 1.378(6) .
C13 H13A 0.9400 .
C14 C15 1.383(6) .
C14 H14A 0.9400 .
C15 C16 1.500(6) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C21 C22 1.398(5) .
C22 C23 1.385(5) .
C22 H22A 0.9400 .
C23 C24 1.371(6) .
C23 H23A 0.9400 .
C24 C25 1.386(5) .
C24 H24A 0.9400 .
C25 C26 1.506(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C31 C32 1.396(5) .
C32 C33 1.380(5) .
C32 H32A 0.9400 .
C33 C34 1.364(6) .
C33 H33A 0.9400 .
C34 C35 1.391(5) .
C34 H34A 0.9400 .
C35 C36 1.494(6) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C36 H36C 0.9700 .
I1 Li1 2.759(8) .
I1 Li1 2.803(8) 2_655
Li1 O1S 1.922(8) .
Li1 O2S 1.942(8) .
Li1 Li1 3.403(15) 2_655
O1S C4S 1.431(6) .
O1S C1S 1.431(6) .
O2S C5S 1.420(5) .
O2S C8S 1.430(6) .
C1S C2S 1.456(8) .
C1S H1SA 0.9800 .
C1S H1SB 0.9800 .
C2S C3S 1.521(10) .
C2S H2SA 0.9800 .
C2S H2SB 0.9800 .
C3S C4S 1.429(10) .
C3S H3SA 0.9800 .
C3S H3SB 0.9800 .
C4S H4SA 0.9800 .
C4S H4SB 0.9800 .
C5S C6S 1.489(8) .
C5S H5SA 0.9800 .
C5S H5SB 0.9800 .
C6S C7S 1.481(7) .
C6S H6SA 0.9800 .
C6S H6SB 0.9800 .
C7S C8S 1.486(7) .
C7S H7SA 0.9800 .
C7S H7SB 0.9800 .
C8S H8SA 0.9800 .
C8S H8SB 0.9800 .
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
C15 N1 C11 C12 1.5(5)
Eu1 N1 C11 C12 -159.9(3)
C15 N1 C11 Al1 178.7(3)
Eu1 N1 C11 Al1 17.2(3)
N1 C11 C12 C13 -1.5(6)
Al1 C11 C12 C13 -178.8(3)
C11 C12 C13 C14 0.1(6)
C12 C13 C14 C15 1.3(6)
C11 N1 C15 C14 -0.2(6)
Eu1 N1 C15 C14 157.6(3)
C11 N1 C15 C16 178.8(4)
Eu1 N1 C15 C16 -23.4(5)
C13 C14 C15 N1 -1.3(6)
C13 C14 C15 C16 179.8(4)
C25 N2 C21 C22 -0.1(5)
Eu1 N2 C21 C22 -176.0(3)
C25 N2 C21 Al1 -178.3(3)
Eu1 N2 C21 Al1 5.8(3)
N2 C21 C22 C23 -0.1(6)
Al1 C21 C22 C23 178.1(3)
C21 C22 C23 C24 0.2(6)
C22 C23 C24 C25 -0.2(6)
C21 N2 C25 C24 0.2(6)
Eu1 N2 C25 C24 175.5(3)
C21 N2 C25 C26 178.6(4)
Eu1 N2 C25 C26 -6.0(5)
C23 C24 C25 N2 0.0(6)
C23 C24 C25 C26 -178.5(4)
C35 N3 C31 C32 0.2(5)
Eu1 N3 C31 C32 178.8(2)
C35 N3 C31 Al1 -175.9(3)
Eu1 N3 C31 Al1 2.7(3)
N3 C31 C32 C33 -1.5(5)
Al1 C31 C32 C33 174.8(3)
C31 C32 C33 C34 1.6(6)
C32 C33 C34 C35 -0.4(6)
C31 N3 C35 C34 0.9(5)
Eu1 N3 C35 C34 -177.4(3)
C31 N3 C35 C36 -178.1(4)
Eu1 N3 C35 C36 3.5(5)
C33 C34 C35 N3 -0.8(6)
C33 C34 C35 C36 178.2(4)
C4S O1S C1S C2S -15.6(8)
Li1 O1S C1S C2S -166.2(6)
O1S C1S C2S C3S 20.2(9)
C1S C2S C3S C4S -17.7(10)
C2S C3S C4S O1S 8.9(10)
C1S O1S C4S C3S 3.8(8)
Li1 O1S C4S C3S 151.5(6)
C8S O2S C5S C6S 6.7(7)
Li1 O2S C5S C6S -151.9(5)
O2S C5S C6S C7S 14.1(8)
C5S C6S C7S C8S -28.3(7)
C5S O2S C8S C7S -25.1(6)
Li1 O2S C8S C7S 136.8(5)
C6S C7S C8S O2S 33.1(6)
