#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:47:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178824 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/78/4107867.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_4107867
loop_
_publ_author_name
'Alfred J. Wooten'
'Patrick J. Carroll'
'Patrick J. Walsh'
_publ_section_title
;
 Insight into Substrate Binding in Shibasaki's Li3(THF)n(BINOLate)3Ln
 Complexes and Implications in Catalysis
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7407
_journal_page_last               7419
_journal_paper_doi               10.1021/ja7107933
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C72 H72 Eu Li3 N6 O6'
_chemical_formula_weight         1290.14
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.708(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.280(3)
_cell_length_b                   15.4073(16)
_cell_length_c                   21.986(3)
_cell_measurement_temperature    143(1)
_cell_volume                     6381.9(14)
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction        'CrystalClear (Rigaku, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, 1999)'
_diffrn_ambient_temperature      143(1)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       'phi and omega rotations'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0418
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            41168
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.64
_exptl_absorpt_coefficient_mu    1.040
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.7589
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.343
_exptl_crystal_F_000             2664
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.767
_refine_diff_density_min         -0.979
_refine_diff_density_rms         0.085
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.019(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         13889
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0491
_refine_ls_R_factor_gt           0.0431
_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)+(0.0357P)²+11.9275P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.0975
_reflns_number_gt                12713
_reflns_number_total             13889
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja7107933-file006.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        6381.8(14)
_cod_original_sg_symbol_H-M      'C 2 '
_cod_database_code               4107867
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
Eu1 Eu 0.5000 0.385032(15) 1.0000 0.02685(8) Uani 1 2 d S
O1 O 0.60423(13) 0.37475(19) 1.10139(13) 0.0258(6) Uani 1 1 d .
O2 O 0.54593(15) 0.2671(2) 0.97097(16) 0.0282(6) Uani 1 1 d .
O3 O 0.42811(18) 0.4978(3) 0.99806(18) 0.0284(9) Uani 1 1 d .
N1 N 0.3250(2) 0.5611(3) 0.8276(2) 0.0393(9) Uani 1 1 d .
H1 H 0.3587 0.6033 0.8403 0.052 Uiso 1 1 calc R
N2 N 0.2507(2) 0.5038(3) 0.8992(2) 0.0448(10) Uani 1 1 d .
H2 H 0.2294 0.4528 0.8997 0.060 Uiso 1 1 calc R
N3 N 0.5215(3) 0.0784(4) 1.0715(3) 0.0618(18) Uani 1 1 d .
H3 H 0.5651 0.0883 1.1075 0.082 Uiso 1 1 calc R
C1 C 0.6332(2) 0.2979(3) 1.1290(2) 0.0248(8) Uani 1 1 d .
C2 C 0.6295(2) 0.2699(3) 1.1890(2) 0.0341(10) Uani 1 1 d .
H2A H 0.6078 0.3054 1.2080 0.045 Uiso 1 1 calc R
C3 C 0.6572(3) 0.1922(3) 1.2192(2) 0.0369(11) Uani 1 1 d .
H3A H 0.6545 0.1757 1.2586 0.049 Uiso 1 1 calc R
C4 C 0.6901(2) 0.1362(3) 1.1914(2) 0.0335(9) Uani 1 1 d .
C5 C 0.7167(3) 0.0526(3) 1.2200(2) 0.0412(12) Uani 1 1 d .
H5 H 0.7133 0.0344 1.2586 0.055 Uiso 1 1 calc R
C6 C 0.7469(3) -0.0003(3) 1.1919(3) 0.0448(12) Uani 1 1 d .
H6 H 0.7649 -0.0538 1.2119 0.060 Uiso 1 1 calc R
C7 C 0.7510(3) 0.0252(3) 1.1324(3) 0.0394(11) Uani 1 1 d .
H7 H 0.7710 -0.0119 1.1128 0.052 Uiso 1 1 calc R
C8 C 0.7255(2) 0.1047(3) 1.1035(2) 0.0315(10) Uani 1 1 d .
H8 H 0.7289 0.1213 1.0645 0.042 Uiso 1 1 calc R
C9 C 0.6940(2) 0.1622(3) 1.1320(2) 0.0260(9) Uani 1 1 d .
C10 C 0.6665(2) 0.2451(3) 1.1009(2) 0.0237(8) Uani 1 1 d .
C11 C 0.6710(2) 0.2723(3) 1.0382(2) 0.0232(8) Uani 1 1 d .
C12 C 0.7382(2) 0.2922(3) 1.0411(2) 0.0258(9) Uani 1 1 d .
C13 C 0.8021(2) 0.2918(3) 1.1035(2) 0.0295(9) Uani 1 1 d .
H13 H 0.8012 0.2771 1.1441 0.039 Uiso 1 1 calc R
C14 C 0.8654(2) 0.3127(3) 1.1051(3) 0.0394(11) Uani 1 1 d .
H14 H 0.9068 0.3115 1.1468 0.052 Uiso 1 1 calc R
C15 C 0.8693(3) 0.3357(4) 1.0463(3) 0.0444(12) Uani 1 1 d .
H15 H 0.9126 0.3506 1.0485 0.059 Uiso 1 1 calc R
C16 C 0.8082(3) 0.3364(4) 0.9840(3) 0.0438(15) Uani 1 1 d .
H16 H 0.8108 0.3507 0.9441 0.058 Uiso 1 1 calc R
C17 C 0.7420(3) 0.3155(3) 0.9805(2) 0.0299(11) Uani 1 1 d .
C18 C 0.6788(3) 0.3174(3) 0.9175(3) 0.0358(11) Uani 1 1 d .
H18 H 0.6810 0.3303 0.8772 0.048 Uiso 1 1 calc R
C19 C 0.6151(2) 0.3007(3) 0.9148(2) 0.0335(10) Uani 1 1 d .
H19 H 0.5741 0.3033 0.8729 0.045 Uiso 1 1 calc R
C20 C 0.6101(2) 0.2791(3) 0.9757(2) 0.0263(9) Uani 1 1 d .
C21 C 0.4560(2) 0.5632(3) 1.0421(2) 0.0250(8) Uani 1 1 d .
C22 C 0.4451(3) 0.5656(3) 1.1012(2) 0.0341(10) Uani 1 1 d .
H22 H 0.4173 0.5229 1.1068 0.045 Uiso 1 1 calc R
C23 C 0.4741(2) 0.6281(3) 1.1495(2) 0.0346(10) Uani 1 1 d .
H23 H 0.4648 0.6291 1.1869 0.046 Uiso 1 1 calc R
C24 C 0.5185(2) 0.6920(3) 1.1435(2) 0.0271(9) Uani 1 1 d .
C25 C 0.5530(2) 0.7556(3) 1.1956(2) 0.0359(11) Uani 1 1 d .
H25 H 0.5448 0.7563 1.2337 0.048 Uiso 1 1 calc R
C26 C 0.5973(3) 0.8148(4) 1.1909(3) 0.0392(14) Uani 1 1 d .
H26 H 0.6193 0.8561 1.2253 0.052 Uiso 1 1 calc R
C27 C 0.6099(3) 0.8135(3) 1.1337(2) 0.0383(11) Uani 1 1 d .
H27 H 0.6416 0.8530 1.1310 0.051 Uiso 1 1 calc R
C28 C 0.5763(2) 0.7550(3) 1.0820(2) 0.0303(9) Uani 1 1 d .
H28 H 0.5846 0.7568 1.0441 0.040 Uiso 1 1 calc R
C29 C 0.5295(3) 0.6919(3) 1.0842(2) 0.0237(11) Uani 1 1 d .
C30 C 0.4952(2) 0.6276(3) 1.03206(19) 0.0242(8) Uani 1 1 d .
C31 C 0.2583(3) 0.6006(4) 0.8157(4) 0.069(2) Uani 1 1 d .
H31A H 0.2324 0.6180 0.7679 0.092 Uiso 1 1 calc R
H31B H 0.2682 0.6525 0.8437 0.092 Uiso 1 1 calc R
C32 C 0.2130(3) 0.5411(5) 0.8321(3) 0.0651(18) Uani 1 1 d .
H32A H 0.1724 0.5731 0.8291 0.087 Uiso 1 1 calc R
H32B H 0.1955 0.4949 0.7983 0.087 Uiso 1 1 calc R
C33 C 0.3232(4) 0.5152(5) 0.7706(3) 0.076(2) Uani 1 1 d .
H33A H 0.2953 0.4635 0.7627 0.114 Uiso 1 1 calc R
H33B H 0.3706 0.4999 0.7802 0.114 Uiso 1 1 calc R
H33C H 0.3023 0.5513 0.7305 0.114 Uiso 1 1 calc R
C34 C 0.2546(4) 0.5566(5) 0.9543(4) 0.078(2) Uani 1 1 d .
H34A H 0.2837 0.6064 0.9593 0.117 Uiso 1 1 calc R
H34B H 0.2751 0.5236 0.9961 0.117 Uiso 1 1 calc R
H34C H 0.2078 0.5752 0.9445 0.117 Uiso 1 1 calc R
C35 C 0.5259(5) 0.0009(5) 1.0340(6) 0.118(5) Uani 1 1 d .
H35A H 0.5723 -0.0010 1.0358 0.157 Uiso 1 1 calc R
H35B H 0.5207 -0.0508 1.0564 0.157 Uiso 1 1 calc R
C36 C 0.4696(4) 0.0766(5) 1.0972(4) 0.083(2) Uani 1 1 d .
H36A H 0.4227 0.0817 1.0594 0.124 Uiso 1 1 calc R
H36B H 0.4783 0.1242 1.1283 0.124 Uiso 1 1 calc R
H36C H 0.4736 0.0229 1.1208 0.124 Uiso 1 1 calc R
Li1 Li 0.3512(4) 0.4771(5) 0.9112(4) 0.0354(17) Uani 1 1 d .
Li2 Li 0.5000 0.1755(11) 1.0000 0.044(4) Uani 1 2 d S
Eu1' Eu 0.5000 0.631751(17) 0.5000 0.03309(9) Uani 1 2 d S
O1' O 0.50353(14) 0.64277(19) 0.39661(14) 0.0282(6) Uani 1 1 d .
O2' O 0.57416(16) 0.7496(2) 0.52520(16) 0.0312(7) Uani 1 1 d .
O3' O 0.43066(19) 0.5199(2) 0.50502(18) 0.0295(9) Uani 1 1 d .
N1' N 0.5012(2) 0.4567(3) 0.67683(19) 0.0336(8) Uani 1 1 d .
H1' H 0.5079 0.4070 0.6583 0.045 Uiso 1 1 calc R
N2' N 0.3527(2) 0.4904(3) 0.6054(2) 0.0376(9) Uani 1 1 d .
H2' H 0.3408 0.5306 0.6286 0.050 Uiso 1 1 calc R
N3' N 0.5467(3) 0.9371(4) 0.5719(3) 0.0529(15) Uani 1 1 d .
H3' H 0.5378 0.9272 0.6080 0.070 Uiso 1 1 calc R
C1' C 0.5040(2) 0.7197(3) 0.3689(2) 0.0271(9) Uani 1 1 d .
C2' C 0.4401(2) 0.7509(3) 0.3128(2) 0.0330(10) Uani 1 1 d .
H2' H 0.3993 0.7170 0.2963 0.044 Uiso 1 1 calc R
C3' C 0.4376(2) 0.8288(3) 0.2831(2) 0.0352(10) Uani 1 1 d .
H3' H 0.3950 0.8476 0.2471 0.047 Uiso 1 1 calc R
C4' C 0.4989(2) 0.8824(3) 0.3059(2) 0.0328(9) Uani 1 1 d .
C5' C 0.4975(3) 0.9633(3) 0.2746(3) 0.0421(12) Uani 1 1 d .
H5' H 0.4557 0.9816 0.2373 0.056 Uiso 1 1 calc R
C6' C 0.5563(3) 1.0148(3) 0.2977(3) 0.0469(13) Uani 1 1 d .
H6' H 0.5544 1.0677 0.2766 0.062 Uiso 1 1 calc R
C7' C 0.6198(3) 0.9872(3) 0.3541(3) 0.0438(12) Uani 1 1 d .
H7' H 0.6599 1.0223 0.3703 0.058 Uiso 1 1 calc R
C8' C 0.6231(2) 0.9090(3) 0.3855(2) 0.0333(10) Uani 1 1 d .
H8' H 0.6654 0.8919 0.4227 0.044 Uiso 1 1 calc R
C9' C 0.5624(2) 0.8537(3) 0.3616(2) 0.0262(9) Uani 1 1 d .
C10' C 0.5653(2) 0.7715(3) 0.3935(2) 0.0250(8) Uani 1 1 d .
C11' C 0.6311(2) 0.7424(3) 0.4546(2) 0.0241(8) Uani 1 1 d .
C12' C 0.6936(2) 0.7211(3) 0.4489(2) 0.0280(9) Uani 1 1 d .
C13' C 0.6942(2) 0.7175(3) 0.3849(2) 0.0298(9) Uani 1 1 d .
H13' H 0.6529 0.7298 0.3448 0.040 Uiso 1 1 calc R
C14' C 0.7550(3) 0.6960(3) 0.3811(3) 0.0400(11) Uani 1 1 d .
H14' H 0.7540 0.6943 0.3384 0.053 Uiso 1 1 calc R
C15' C 0.8172(3) 0.6769(3) 0.4390(3) 0.0435(12) Uani 1 1 d .
H15' H 0.8579 0.6629 0.4354 0.058 Uiso 1 1 calc R
C16' C 0.8187(3) 0.6786(4) 0.5016(3) 0.0439(15) Uani 1 1 d .
H16' H 0.8609 0.6656 0.5406 0.058 Uiso 1 1 calc R
C17' C 0.7573(3) 0.6998(3) 0.5090(3) 0.0312(11) Uani 1 1 d .
C18' C 0.7576(3) 0.6999(3) 0.5731(3) 0.0364(11) Uani 1 1 d .
H18' H 0.7996 0.6883 0.6127 0.048 Uiso 1 1 calc R
C19' C 0.6977(3) 0.7165(3) 0.5780(2) 0.0389(11) Uani 1 1 d .
H19' H 0.6988 0.7146 0.6207 0.052 Uiso 1 1 calc R
C20' C 0.6328(2) 0.7368(3) 0.5186(2) 0.0284(9) Uani 1 1 d .
C21' C 0.4147(2) 0.4538(3) 0.4612(2) 0.0271(9) Uani 1 1 d .
C22' C 0.3452(2) 0.4483(3) 0.4044(2) 0.0333(10) Uani 1 1 d .
H22' H 0.3112 0.4887 0.4008 0.044 Uiso 1 1 calc R
C23' C 0.3275(2) 0.3864(3) 0.3560(2) 0.0339(9) Uani 1 1 d .
H23' H 0.2811 0.3831 0.3208 0.045 Uiso 1 1 calc R
C24' C 0.3787(2) 0.3267(3) 0.3581(2) 0.0287(9) Uani 1 1 d .
C25' C 0.3649(3) 0.2664(3) 0.3046(2) 0.0388(11) Uani 1 1 d .
H25' H 0.3198 0.2646 0.2672 0.052 Uiso 1 1 calc R
C26' C 0.4149(3) 0.2118(4) 0.3062(3) 0.0450(15) Uani 1 1 d .
H26' H 0.4047 0.1746 0.2695 0.060 Uiso 1 1 calc R
C27' C 0.4824(3) 0.2110(3) 0.3633(3) 0.0408(11) Uani 1 1 d .
H27' H 0.5168 0.1727 0.3645 0.054 Uiso 1 1 calc R
C28' C 0.4981(2) 0.2666(3) 0.4174(2) 0.0309(9) Uani 1 1 d .
H28' H 0.5428 0.2647 0.4553 0.041 Uiso 1 1 calc R
C29' C 0.4474(3) 0.3261(3) 0.4162(2) 0.0251(11) Uani 1 1 d .
C30' C 0.4641(2) 0.3897(3) 0.46941(19) 0.0257(8) Uani 1 1 d .
C31' C 0.4553(3) 0.4345(4) 0.7064(3) 0.0523(14) Uani 1 1 d .
H31C H 0.4530 0.4825 0.7339 0.070 Uiso 1 1 calc R
H31D H 0.4740 0.3843 0.7361 0.070 Uiso 1 1 calc R
C32' C 0.3821(3) 0.4148(4) 0.6496(3) 0.0504(14) Uani 1 1 d .
H32C H 0.3845 0.3664 0.6226 0.067 Uiso 1 1 calc R
H32D H 0.3513 0.3985 0.6692 0.067 Uiso 1 1 calc R
C33' C 0.5717(3) 0.4857(4) 0.7280(3) 0.0492(13) Uani 1 1 d .
H33D H 0.5680 0.5416 0.7453 0.074 Uiso 1 1 calc R
H33E H 0.6024 0.4896 0.7071 0.074 Uiso 1 1 calc R
H33F H 0.5910 0.4447 0.7651 0.074 Uiso 1 1 calc R
C34' C 0.2882(3) 0.4674(4) 0.5420(3) 0.0512(14) Uani 1 1 d .
H34D H 0.2995 0.4235 0.5176 0.077 Uiso 1 1 calc R
H34E H 0.2703 0.5179 0.5136 0.077 Uiso 1 1 calc R
H34F H 0.2528 0.4457 0.5536 0.077 Uiso 1 1 calc R
C35' C 0.5084(5) 1.0153(6) 0.5365(5) 0.091(3) Uani 1 1 d .
H35C H 0.5369 1.0659 0.5588 0.121 Uiso 1 1 calc R
H35D H 0.4646 1.0192 0.5399 0.121 Uiso 1 1 calc R
C36' C 0.6232(4) 0.9417(5) 0.5981(4) 0.081(2) Uani 1 1 d .
H36D H 0.6341 0.9429 0.5604 0.122 Uiso 1 1 calc R
H36E H 0.6450 0.8917 0.6262 0.122 Uiso 1 1 calc R
H36F H 0.6410 0.9933 0.6252 0.122 Uiso 1 1 calc R
Li1' Li 0.4400(4) 0.5396(5) 0.5934(4) 0.0344(17) Uani 1 1 d .
Li2' Li 0.5000 0.8353(9) 0.5000 0.035(3) Uani 1 2 d S
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'
Li Li -0.0003 0.0001 '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'
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
O2 Eu1 O2 75.00(15) 2_657 .
O2 Eu1 O3 163.67(10) 2_657 2_657
O2 Eu1 O3 103.75(12) . 2_657
O2 Eu1 O3 103.75(12) 2_657 .
O2 Eu1 O3 163.67(10) . .
O3 Eu1 O3 82.02(18) 2_657 .
O2 Eu1 O1 91.11(10) 2_657 .
O2 Eu1 O1 82.62(10) . .
O3 Eu1 O1 72.64(11) 2_657 .
O3 Eu1 O1 113.71(11) . .
O2 Eu1 O1 82.62(10) 2_657 2_657
O2 Eu1 O1 91.11(10) . 2_657
O3 Eu1 O1 113.71(11) 2_657 2_657
O3 Eu1 O1 72.64(11) . 2_657
O1 Eu1 O1 172.12(15) . 2_657
O2 Eu1 C20 22.94(11) 2_657 2_657
O2 Eu1 C20 94.88(11) . 2_657
O3 Eu1 C20 160.66(12) 2_657 2_657
O3 Eu1 C20 81.46(13) . 2_657
O1 Eu1 C20 105.18(10) . 2_657
O1 Eu1 C20 70.47(10) 2_657 2_657
O2 Eu1 C20 94.88(11) 2_657 .
O2 Eu1 C20 22.94(11) . .
O3 Eu1 C20 81.46(13) 2_657 .
O3 Eu1 C20 160.66(12) . .
O1 Eu1 C20 70.47(10) . .
O1 Eu1 C20 105.18(10) 2_657 .
C20 Eu1 C20 116.42(17) 2_657 .
O2 Eu1 C21 112.51(10) 2_657 .
O2 Eu1 C21 171.67(11) . .
O3 Eu1 C21 68.01(12) 2_657 .
O3 Eu1 C21 21.44(11) . .
O1 Eu1 C21 93.39(10) . .
O1 Eu1 C21 93.43(10) 2_657 .
C20 Eu1 C21 93.22(11) 2_657 .
C20 Eu1 C21 148.76(11) . .
O2 Eu1 C21 171.67(10) 2_657 2_657
O2 Eu1 C21 112.51(10) . 2_657
O3 Eu1 C21 21.44(11) 2_657 2_657
O3 Eu1 C21 68.01(12) . 2_657
O1 Eu1 C21 93.43(11) . 2_657
O1 Eu1 C21 93.39(10) 2_657 2_657
C20 Eu1 C21 148.76(11) 2_657 2_657
C20 Eu1 C21 93.22(11) . 2_657
C21 Eu1 C21 60.27(14) . 2_657
O2 Eu1 Li1 127.98(17) 2_657 2_657
O2 Eu1 Li1 95.33(16) . 2_657
O3 Eu1 Li1 35.71(17) 2_657 2_657
O3 Eu1 Li1 97.94(17) . 2_657
O1 Eu1 Li1 36.97(17) . 2_657
O1 Eu1 Li1 149.35(16) 2_657 2_657
C20 Eu1 Li1 138.29(17) 2_657 2_657
C20 Eu1 Li1 73.97(17) . 2_657
C21 Eu1 Li1 77.26(17) . 2_657
C21 Eu1 Li1 56.52(16) 2_657 2_657
O2 Eu1 Li1 95.33(16) 2_657 .
O2 Eu1 Li1 127.98(17) . .
O3 Eu1 Li1 97.94(17) 2_657 .
O3 Eu1 Li1 35.71(17) . .
O1 Eu1 Li1 149.35(16) . .
O1 Eu1 Li1 36.97(16) 2_657 .
C20 Eu1 Li1 73.97(17) 2_657 .
C20 Eu1 Li1 138.29(17) . .
C21 Eu1 Li1 56.52(16) . .
C21 Eu1 Li1 77.26(16) 2_657 .
Li1 Eu1 Li1 127.0(3) 2_657 .
C1 O1 Li1 129.4(3) . 2_657
C1 O1 Eu1 122.0(2) . .
Li1 O1 Eu1 97.0(3) 2_657 .
C20 O2 Li2 135.5(4) . .
C20 O2 Eu1 115.0(3) . .
Li2 O2 Eu1 97.9(4) . .
C21 O3 Li1 138.7(4) . .
C21 O3 Eu1 119.4(3) . .
Li1 O3 Eu1 98.6(3) . .
C33 N1 C31 115.2(5) . .
C33 N1 Li1 110.6(4) . .
C31 N1 Li1 104.8(4) . .
C34 N2 C32 115.5(5) . .
C34 N2 Li1 110.8(5) . .
C32 N2 Li1 105.1(4) . .
C36 N3 C35 117.2(7) . .
C36 N3 Li2 111.7(5) . .
C35 N3 Li2 102.1(6) . .
O1 C1 C10 122.3(4) . .
O1 C1 C2 118.3(4) . .
C10 C1 C2 119.4(4) . .
O1 C1 Eu1 37.29(16) . .
C10 C1 Eu1 105.8(3) . .
C2 C1 Eu1 122.4(3) . .
C3 C2 C1 121.2(4) . .
C2 C3 C4 120.9(4) . .
C9 C4 C3 118.8(4) . .
C9 C4 C5 118.9(4) . .
C3 C4 C5 122.2(4) . .
C6 C5 C4 121.1(5) . .
C5 C6 C7 120.3(4) . .
C8 C7 C6 119.9(5) . .
C7 C8 C9 121.2(4) . .
C4 C9 C8 118.5(4) . .
C4 C9 C10 120.5(4) . .
C8 C9 C10 121.0(4) . .
C1 C10 C9 119.0(4) . .
C1 C10 C11 120.7(4) . .
C9 C10 C11 120.2(4) . .
C20 C11 C12 118.9(4) . .
C20 C11 C10 120.3(4) . .
C12 C11 C10 120.8(4) . .
C13 C12 C17 117.6(4) . .
C13 C12 C11 122.2(4) . .
C17 C12 C11 120.2(4) . .
C14 C13 C12 121.1(4) . .
C13 C14 C15 121.5(5) . .
C14 C15 C16 119.5(5) . .
C15 C16 C17 120.5(5) . .
C16 C17 C18 121.4(4) . .
C16 C17 C12 119.8(5) . .
C18 C17 C12 118.8(5) . .
C19 C18 C17 121.1(4) . .
C18 C19 C20 120.8(4) . .
O2 C20 C11 121.4(4) . .
O2 C20 C19 118.6(4) . .
C11 C20 C19 120.1(4) . .
O2 C20 Eu1 42.07(19) . .
C11 C20 Eu1 107.7(3) . .
C19 C20 Eu1 115.5(3) . .
O3 C21 C30 121.8(4) . .
O3 C21 C22 118.5(4) . .
C30 C21 C22 119.7(4) . .
O3 C21 Eu1 39.2(2) . .
C30 C21 Eu1 107.1(3) . .
C22 C21 Eu1 119.0(3) . .
C23 C22 C21 121.8(4) . .
C22 C23 C24 120.2(4) . .
C23 C24 C25 121.3(4) . .
C23 C24 C29 119.1(4) . .
C25 C24 C29 119.6(4) . .
C26 C25 C24 121.3(4) . .
C25 C26 C27 119.4(5) . .
C28 C27 C26 120.8(5) . .
C27 C28 C29 122.2(4) . .
C28 C29 C24 116.7(4) . .
C28 C29 C30 123.8(4) . .
C24 C29 C30 119.5(4) . .
C21 C30 C29 119.4(4) . .
C21 C30 C30 120.1(3) . 2_657
C29 C30 C30 120.4(3) . 2_657
N1 C31 C32 112.7(5) . .
N2 C32 C31 112.5(5) . .
C35 C35 N3 112.2(6) 2_657 .
C35 C35 Li2 75.6(2) 2_657 .
N3 C35 Li2 46.5(3) . .
O3 Li1 O1 91.7(3) . 2_657
O3 Li1 N2 117.2(4) . .
O1 Li1 N2 133.9(5) 2_657 .
O3 Li1 N1 122.5(4) . .
O1 Li1 N1 109.1(4) 2_657 .
N2 Li1 N1 85.9(3) . .
O3 Li1 Eu1 45.7(2) . .
O1 Li1 Eu1 46.06(18) 2_657 .
N2 Li1 Eu1 147.3(4) . .
N1 Li1 Eu1 126.6(3) . .
O2 Li2 O2 89.3(7) . 2_657
O2 Li2 N3 103.8(2) . 2_657
O2 Li2 N3 142.56(18) 2_657 2_657
O2 Li2 N3 142.56(18) . .
O2 Li2 N3 103.8(2) 2_657 .
N3 Li2 N3 86.9(8) 2_657 .
O2 Li2 C35 131.9(4) . 2_657
O2 Li2 C35 135.2(4) 2_657 2_657
N3 Li2 C35 31.3(4) 2_657 2_657
N3 Li2 C35 56.5(5) . 2_657
O2 Li2 C35 135.2(4) . .
O2 Li2 C35 131.9(4) 2_657 .
N3 Li2 C35 56.5(5) 2_657 .
N3 Li2 C35 31.3(4) . .
C35 Li2 C35 28.8(4) 2_657 .
O2 Li2 Eu1 44.6(3) . .
O2 Li2 Eu1 44.6(3) 2_657 .
N3 Li2 Eu1 136.5(4) 2_657 .
N3 Li2 Eu1 136.5(4) . .
C35 Li2 Eu1 165.6(2) 2_657 .
C35 Li2 Eu1 165.6(2) . .
O2' Eu1' O2' 75.61(15) . 2_656
O2' Eu1' O3' 102.66(12) . 2_656
O2' Eu1' O3' 164.26(10) 2_656 2_656
O2' Eu1' O3' 164.26(10) . .
O2' Eu1' O3' 102.66(12) 2_656 .
O3' Eu1' O3' 83.21(18) 2_656 .
O2' Eu1' O1' 92.15(10) . 2_656
O2' Eu1' O1' 81.18(10) 2_656 2_656
O3' Eu1' O1' 114.56(11) 2_656 2_656
O3' Eu1' O1' 72.18(11) . 2_656
O2' Eu1' O1' 81.18(11) . .
O2' Eu1' O1' 92.15(10) 2_656 .
O3' Eu1' O1' 72.18(11) 2_656 .
O3' Eu1' O1' 114.56(11) . .
O1' Eu1' O1' 171.59(15) 2_656 .
O2' Eu1' C20' 22.83(11) . .
O2' Eu1' C20' 95.77(12) 2_656 .
O3' Eu1' C20' 80.36(13) 2_656 .
O3' Eu1' C20' 160.83(12) . .
O1' Eu1' C20' 105.96(11) 2_656 .
O1' Eu1' C20' 69.44(11) . .
O2' Eu1' C20' 95.77(11) . 2_656
O2' Eu1' C20' 22.83(11) 2_656 2_656
O3' Eu1' C20' 160.83(12) 2_656 2_656
O3' Eu1' C20' 80.36(13) . 2_656
O1' Eu1' C20' 69.44(11) 2_656 2_656
O1' Eu1' C20' 105.96(11) . 2_656
C20' Eu1' C20' 117.39(17) . 2_656
O2' Eu1' Li2' 37.80(8) . .
O2' Eu1' Li2' 37.80(8) 2_656 .
O3' Eu1' Li2' 138.40(9) 2_656 .
O3' Eu1' Li2' 138.40(9) . .
O1' Eu1' Li2' 85.80(7) 2_656 .
O1' Eu1' Li2' 85.80(7) . .
C20' Eu1' Li2' 58.69(8) . .
C20' Eu1' Li2' 58.69(9) 2_656 .
O2' Eu1' C21' 171.42(11) . .
O2' Eu1' C21' 112.00(11) 2_656 .
O3' Eu1' C21' 68.92(12) 2_656 .
O3' Eu1' C21' 21.46(11) . .
O1' Eu1' C21' 92.97(10) 2_656 .
O1' Eu1' C21' 94.28(10) . .
C20' Eu1' C21' 148.60(11) . .
C20' Eu1' C21' 92.47(11) 2_656 .
Li2' Eu1' C21' 149.63(8) . .
O2' Eu1' C21' 112.00(11) . 2_656
O2' Eu1' C21' 171.42(11) 2_656 2_656
O3' Eu1' C21' 21.46(11) 2_656 2_656
O3' Eu1' C21' 68.92(12) . 2_656
O1' Eu1' C21' 94.28(10) 2_656 2_656
O1' Eu1' C21' 92.97(10) . 2_656
C20' Eu1' C21' 92.47(11) . 2_656
C20' Eu1' C21' 148.60(11) 2_656 2_656
Li2' Eu1' C21' 149.63(8) . 2_656
C21' Eu1' C21' 60.74(15) . 2_656
O2' Eu1' Li1' 94.06(16) . 2_656
O2' Eu1' Li1' 128.91(16) 2_656 2_656
O3' Eu1' Li1' 35.36(16) 2_656 2_656
O3' Eu1' Li1' 98.86(17) . 2_656
O1' Eu1' Li1' 149.86(16) 2_656 2_656
O1' Eu1' Li1' 36.88(16) . 2_656
C20' Eu1' Li1' 72.96(16) . 2_656
C20' Eu1' Li1' 138.83(16) 2_656 2_656
Li2' Eu1' Li1' 116.25(14) . 2_656
C21' Eu1' Li1' 78.10(16) . 2_656
C21' Eu1' Li1' 56.14(16) 2_656 2_656
C1' O1' Li1' 130.0(3) . 2_656
C1' O1' Eu1' 121.6(2) . .
Li1' O1' Eu1' 97.5(3) 2_656 .
C20' O2' Li2' 138.5(4) . .
C20' O2' Eu1' 115.4(3) . .
Li2' O2' Eu1' 95.4(3) . .
C21' O3' Li1' 137.6(4) . .
C21' O3' Eu1' 119.3(3) . .
Li1' O3' Eu1' 99.6(3) . .
C31' N1' C33' 113.1(4) . .
C31' N1' Li1' 105.1(4) . .
C33' N1' Li1' 118.7(4) . .
C32' N2' C34' 111.1(4) . .
C32' N2' Li1' 103.8(4) . .
C34' N2' Li1' 116.8(4) . .
C36' N3' C35' 114.6(6) . .
C36' N3' Li2' 112.5(5) . .
C35' N3' Li2' 105.1(5) . .
O1' C1' C10' 122.1(4) . .
O1' C1' C2' 119.1(4) . .
C10' C1' C2' 118.8(4) . .
O1' C1' Eu1' 37.76(17) . .
C10' C1' Eu1' 107.5(3) . .
C2' C1' Eu1' 120.2(3) . .
C3' C2' C1' 121.5(4) . .
C2' C3' C4' 121.3(4) . .
C9' C4' C5' 119.5(4) . .
C9' C4' C3' 118.4(4) . .
C5' C4' C3' 122.0(4) . .
C6' C5' C4' 121.5(5) . .
C5' C6' C7' 119.3(5) . .
C8' C7' C6' 120.7(5) . .
C7' C8' C9' 120.8(4) . .
C4' C9' C8' 118.0(4) . .
C4' C9' C10' 120.5(4) . .
C8' C9' C10' 121.4(4) . .
C1' C10' C9' 119.5(4) . .
C1' C10' C11' 119.5(4) . .
C9' C10' C11' 121.0(4) . .
C20' C11' C12' 119.1(4) . .
C20' C11' C10' 120.0(4) . .
C12' C11' C10' 120.9(4) . .
C13' C12' C17' 118.0(4) . .
C13' C12' C11' 122.3(4) . .
C17' C12' C11' 119.6(4) . .
C14' C13' C12' 120.9(5) . .
C13' C14' C15' 121.6(5) . .
C16' C15' C14' 119.4(5) . .
C15' C16' C17' 121.8(5) . .
C18' C17' C12' 119.3(5) . .
C18' C17' C16' 122.5(5) . .
C12' C17' C16' 118.3(5) . .
C19' C18' C17' 121.0(5) . .
C18' C19' C20' 121.0(4) . .
O2' C20' C11' 121.0(4) . .
O2' C20' C19' 119.2(4) . .
C11' C20' C19' 119.8(4) . .
O2' C20' Eu1' 41.8(2) . .
C11' C20' Eu1' 107.7(3) . .
C19' C20' Eu1' 116.0(3) . .
O3' C21' C30' 121.7(4) . .
O3' C21' C22' 119.3(4) . .
C30' C21' C22' 119.0(4) . .
O3' C21' Eu1' 39.2(2) . .
C30' C21' Eu1' 106.0(3) . .
C22' C21' Eu1' 121.1(3) . .
C23' C22' C21' 122.0(4) . .
C22' C23' C24' 120.5(4) . .
C23' C24' C25' 122.7(4) . .
C23' C24' C29' 119.3(4) . .
C25' C24' C29' 117.9(4) . .
C26' C25' C24' 122.2(5) . .
C25' C26' C27' 119.9(5) . .
C28' C27' C26' 120.3(5) . .
C27' C28' C29' 120.9(4) . .
C28' C29' C24' 118.7(4) . .
C28' C29' C30' 122.1(4) . .
C24' C29' C30' 119.1(4) . .
C21' C30' C29' 119.4(4) . .
C21' C30' C30' 120.8(3) . 2_656
C29' C30' C30' 119.7(3) . 2_656
N1' C31' C32' 109.2(4) . .
N2' C32' C31' 110.4(4) . .
N3' C35' C35' 111.9(5) . 2_656
O3' Li1' O1' 90.6(3) . 2_656
O3' Li1' N1' 121.7(4) . .
O1' Li1' N1' 107.3(4) 2_656 .
O3' Li1' N2' 113.0(4) . .
O1' Li1' N2' 143.6(4) 2_656 .
N1' Li1' N2' 84.2(3) . .
O3' Li1' Eu1' 45.1(2) . .
O1' Li1' Eu1' 45.65(18) 2_656 .
N1' Li1' Eu1' 123.7(3) . .
N2' Li1' Eu1' 149.8(4) . .
O2' Li2' O2' 93.7(6) 2_656 .
O2' Li2' N3' 139.30(19) 2_656 .
O2' Li2' N3' 104.8(2) . .
O2' Li2' N3' 104.8(2) 2_656 2_656
O2' Li2' N3' 139.30(19) . 2_656
N3' Li2' N3' 84.5(6) . 2_656
O2' Li2' Eu1' 46.8(3) 2_656 .
O2' Li2' Eu1' 46.8(3) . .
N3' Li2' Eu1' 137.8(3) . .
N3' Li2' Eu1' 137.8(3) 2_656 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Eu1 O2 2.290(3) 2_657
Eu1 O2 2.290(3) .
Eu1 O3 2.302(4) 2_657
Eu1 O3 2.302(4) .
Eu1 O1 2.306(3) .
Eu1 O1 2.306(3) 2_657
Eu1 C20 3.097(4) 2_657
Eu1 C20 3.097(4) .
Eu1 C21 3.174(4) .
Eu1 C21 3.174(4) 2_657
Eu1 Li1 3.178(8) 2_657
Eu1 Li1 3.178(7) .
O1 C1 1.343(5) .
O1 Li1 1.926(8) 2_657
O2 C20 1.332(5) .
O2 Li2 1.984(12) .
O3 C21 1.331(6) .
O3 Li1 1.876(9) .
N1 C33 1.423(8) .
N1 C31 1.452(7) .
N1 Li1 2.101(9) .
N2 C34 1.427(8) .
N2 C32 1.431(7) .
N2 Li1 2.072(9) .
N3 C36 1.456(9) .
N3 C35 1.478(12) .
N3 Li2 2.062(14) .
C1 C10 1.397(6) .
C1 C2 1.424(6) .
C2 C3 1.363(7) .
C3 C4 1.417(7) .
C4 C9 1.403(6) .
C4 C5 1.429(7) .
C5 C6 1.352(7) .
C6 C7 1.406(7) .
C7 C8 1.371(6) .
C8 C9 1.421(6) .
C9 C10 1.438(6) .
C10 C11 1.488(5) .
C11 C20 1.386(6) .
C11 C12 1.434(6) .
C12 C13 1.412(6) .
C12 C17 1.420(6) .
C13 C14 1.369(6) .
C14 C15 1.380(7) .
C15 C16 1.381(8) .
C16 C17 1.411(8) .
C17 C18 1.412(7) .
C18 C19 1.354(7) .
C19 C20 1.432(6) .
C21 C30 1.379(6) .
C21 C22 1.423(6) .
C22 C23 1.352(7) .
C23 C24 1.413(6) .
C24 C25 1.425(6) .
C24 C29 1.427(6) .
C25 C26 1.350(8) .
C26 C27 1.403(7) .
C27 C28 1.365(6) .
C28 C29 1.408(7) .
C29 C30 1.432(6) .
C30 C30 1.515(7) 2_657
C31 C32 1.491(8) .
C35 C35 1.384(19) 2_657
C35 Li2 2.778(18) .
Li1 O1 1.926(8) 2_657
Li2 O2 1.984(12) 2_657
Li2 N3 2.062(14) 2_657
Li2 C35 2.778(18) 2_657
Eu1' O2' 2.298(3) .
Eu1' O2' 2.298(3) 2_656
Eu1' O3' 2.304(4) 2_656
Eu1' O3' 2.304(4) .
Eu1' O1' 2.315(3) 2_656
Eu1' O1' 2.315(3) .
Eu1' C20' 3.114(5) .
Eu1' C20' 3.114(5) 2_656
Eu1' Li2' 3.137(14) .
Eu1' C21' 3.178(4) .
Eu1' C21' 3.178(4) 2_656
Eu1' Li1' 3.210(7) 2_656
O1' C1' 1.335(5) .
O1' Li1' 1.943(8) 2_656
O2' C20' 1.337(5) .
O2' Li2' 1.931(10) .
O3' C21' 1.333(6) .
O3' Li1' 1.884(9) .
N1' C31' 1.444(6) .
N1' C33' 1.465(6) .
N1' Li1' 2.114(9) .
N2' C32' 1.459(7) .
N2' C34' 1.474(7) .
N2' Li1' 2.133(8) .
N3' C36' 1.453(9) .
N3' C35' 1.461(11) .
N3' Li2' 2.117(12) .
C1' C10' 1.404(6) .
C1' C2' 1.429(6) .
C2' C3' 1.355(7) .
C3' C4' 1.423(7) .
C4' C9' 1.408(6) .
C4' C5' 1.418(7) .
C5' C6' 1.364(7) .
C6' C7' 1.410(8) .
C7' C8' 1.374(6) .
C8' C9' 1.428(6) .
C9' C10' 1.435(6) .
C10' C11' 1.489(6) .
C11' C20' 1.393(6) .
C11' C12' 1.430(6) .
C12' C13' 1.415(6) .
C12' C17' 1.423(7) .
C13' C14' 1.374(6) .
C14' C15' 1.376(7) .
C15' C16' 1.361(8) .
C16' C17' 1.428(8) .
C17' C18' 1.406(7) .
C18' C19' 1.353(7) .
C19' C20' 1.426(7) .
C21' C30' 1.391(6) .
C21' C22' 1.427(6) .
C22' C23' 1.346(7) .
C23' C24' 1.410(7) .
C24' C25' 1.418(6) .
C24' C29' 1.425(6) .
C25' C26' 1.345(8) .
C26' C27' 1.400(8) .
C27' C28' 1.375(6) .
C28' C29' 1.407(7) .
C29' C30' 1.439(6) .
C30' C30' 1.494(7) 2_656
C31' C32' 1.506(7) .
C35' C35' 1.472(17) 2_656
Li1' O1' 1.943(8) 2_656
Li2' O2' 1.931(10) 2_656
Li2' N3' 2.117(12) 2_656
