#------------------------------------------------------------------------------
#$Date: 2019-05-23 02:23:26 +0200 (Thu 23 de May de 2019) $
#$Revision: 215425 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/35/7123510.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_7123510
loop_
_publ_author_name
'Barisic, Damir'
'Lebon, Jakob'
'Maichle-moessmer, Caecilia'
'Anwander, Reiner'
_publ_section_title
;
 Pentadienyl migration and abstraction in yttrium aluminabenzene complexes
 including a single-component catalyst for isoprene polymerization
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02857A
_journal_year                    2019
_chemical_formula_sum            'C36 H76 Al Li N2 Si4 Y2'
_chemical_formula_weight         861.08
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-04-11 deposited with the CCDC.    2019-05-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.130(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.0838(4)
_cell_length_b                   20.2609(6)
_cell_length_c                   20.2692(6)
_cell_measurement_reflns_used    9770
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.38
_cell_measurement_theta_min      2.268
_cell_volume                     4742.3(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker COSMO'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-13 (Sheldrick 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Smart APEX II '
_diffrn_measurement_method       omega/phi-scans
_diffrn_radiation_monochromator  triumph
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0831
_diffrn_reflns_av_unetI/netI     0.0669
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            86860
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.103
_diffrn_reflns_theta_min         1.454
_exptl_absorpt_coefficient_mu    2.579
_exptl_absorpt_correction_T_max  0.7418
_exptl_absorpt_correction_T_min  0.6505
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.206
_exptl_crystal_description       block
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.352
_exptl_crystal_size_mid          0.188
_exptl_crystal_size_min          0.158
_refine_diff_density_max         1.395
_refine_diff_density_min         -0.875
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         10444
_refine_ls_number_restraints     110
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0624
_refine_ls_shift/su_max          0.037
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0406P)²+38.1907P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1575
_refine_ls_wR_factor_ref         0.1623
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8143
_reflns_number_total             10444
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9cc02857a2.cif
_cod_data_source_block           2a_neudb156_0m
_cod_database_code               7123510
_shelx_shelxl_version_number     2014/7
_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   0.464
_shelx_estimated_absorpt_t_max   0.686
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.7901(5) 0.1590(3) 0.8185(3) 0.0161(11) Uani 1 1 d . . . . .
H1 H 0.760(5) 0.115(3) 0.819(3) 0.019 Uiso 1 1 d . U . . .
C2 C 0.9080(5) 0.1624(3) 0.8325(3) 0.0184(11) Uani 1 1 d . . . . .
C3 C 0.9658(5) 0.2249(3) 0.8293(3) 0.0228(13) Uani 1 1 d . . . . .
H3 H 1.0471 0.2223 0.8371 0.027 Uiso 1 1 calc R U . . .
C4 C 0.9174(5) 0.2885(3) 0.8162(3) 0.0229(12) Uani 1 1 d . . . . .
C5 C 0.7975(5) 0.3016(3) 0.7913(3) 0.0175(11) Uani 1 1 d . . . . .
H5 H 0.754(6) 0.344(3) 0.776(3) 0.030(17) Uiso 1 1 d . . . . .
C6 C 0.9890(5) 0.1013(3) 0.8502(3) 0.0230(12) Uani 1 1 d . . . . .
C7 C 0.9235(5) 0.0369(3) 0.8508(3) 0.0298(14) Uani 1 1 d . . . . .
H7A H 0.9784 0.0000 0.8613 0.045 Uiso 1 1 calc R U . . .
H7B H 0.8671 0.0300 0.8055 0.045 Uiso 1 1 calc R U . . .
H7C H 0.8829 0.0394 0.8861 0.045 Uiso 1 1 calc R U . . .
C8 C 1.0573(6) 0.0929(3) 0.7974(4) 0.0360(16) Uani 1 1 d . . . . .
H8A H 1.1066 0.0536 0.8090 0.054 Uiso 1 1 calc R U . . .
H8B H 1.1057 0.1319 0.7984 0.054 Uiso 1 1 calc R U . . .
H8C H 1.0030 0.0878 0.7510 0.054 Uiso 1 1 calc R U . . .
C9 C 1.0716(6) 0.1104(4) 0.9231(3) 0.0389(17) Uani 1 1 d . . . . .
H9A H 1.1217 0.0715 0.9358 0.058 Uiso 1 1 calc R U . . .
H9B H 1.0266 0.1156 0.9559 0.058 Uiso 1 1 calc R U . . .
H9C H 1.1193 0.1497 0.9243 0.058 Uiso 1 1 calc R U . . .
C10 C 1.0047(5) 0.3476(3) 0.8276(3) 0.0294(14) Uani 1 1 d . . . . .
C14 C 0.7656(4) 0.3105(3) 0.6313(3) 0.0151(10) Uani 1 1 d . . . . .
H14 H 0.834(5) 0.340(3) 0.632(3) 0.018 Uiso 1 1 d . U . . .
C15 C 0.6706(5) 0.3300(3) 0.5773(3) 0.0151(11) Uani 1 1 d . . . . .
C16 C 0.5639(5) 0.2929(3) 0.5610(3) 0.0175(11) Uani 1 1 d . . . . .
H16 H 0.4966 0.3141 0.5326 0.021 Uiso 1 1 calc R U . . .
C17 C 0.5488(5) 0.2255(3) 0.5839(3) 0.0168(11) Uani 1 1 d . . . . .
C18 C 0.6249(5) 0.1974(3) 0.6411(3) 0.0160(11) Uani 1 1 d . . . . .
H18 H 0.613(5) 0.152(3) 0.650(3) 0.019 Uiso 1 1 d . U . . .
C19 C 0.4354(5) 0.1900(3) 0.5387(3) 0.0229(12) Uani 1 1 d . . . . .
C20 C 0.4243(6) 0.1206(3) 0.5625(3) 0.0344(16) Uani 1 1 d . . . . .
H20A H 0.3548 0.1001 0.5317 0.052 Uiso 1 1 calc R U . . .
H20B H 0.4182 0.1216 0.6096 0.052 Uiso 1 1 calc R U . . .
H20C H 0.4927 0.0950 0.5616 0.052 Uiso 1 1 calc R U . . .
C21 C 0.3278(5) 0.2291(4) 0.5424(3) 0.0348(16) Uani 1 1 d . . . . .
H21A H 0.2576 0.2061 0.5157 0.052 Uiso 1 1 calc R U . . .
H21B H 0.3296 0.2734 0.5232 0.052 Uiso 1 1 calc R U . . .
H21C H 0.3279 0.2328 0.5906 0.052 Uiso 1 1 calc R U . . .
C22 C 0.4378(6) 0.1869(3) 0.4634(3) 0.0322(15) Uani 1 1 d . . . . .
H22A H 0.3694 0.1632 0.4355 0.048 Uiso 1 1 calc R U . . .
H22B H 0.5079 0.1638 0.4612 0.048 Uiso 1 1 calc R U . . .
H22C H 0.4378 0.2318 0.4454 0.048 Uiso 1 1 calc R U . . .
C23 C 0.6710(5) 0.3960(3) 0.5369(3) 0.0202(12) Uani 1 1 d . . . . .
C24 C 0.7805(5) 0.4002(3) 0.5133(3) 0.0258(13) Uani 1 1 d . . . . .
H24A H 0.7816 0.4425 0.4900 0.039 Uiso 1 1 calc R U . . .
H24B H 0.7806 0.3640 0.4812 0.039 Uiso 1 1 calc R U . . .
H24C H 0.8493 0.3969 0.5535 0.039 Uiso 1 1 calc R U . . .
C25 C 0.5649(5) 0.4051(3) 0.4741(3) 0.0285(14) Uani 1 1 d . . . . .
H25A H 0.5730 0.4460 0.4501 0.043 Uiso 1 1 calc R U . . .
H25B H 0.4952 0.4076 0.4893 0.043 Uiso 1 1 calc R U . . .
H25C H 0.5585 0.3676 0.4427 0.043 Uiso 1 1 calc R U . . .
C26 C 0.6747(5) 0.4545(3) 0.5868(3) 0.0247(13) Uani 1 1 d . . . . .
H26A H 0.6692 0.4962 0.5614 0.037 Uiso 1 1 calc R U . . .
H26B H 0.7477 0.4533 0.6242 0.037 Uiso 1 1 calc R U . . .
H26C H 0.6096 0.4510 0.6061 0.037 Uiso 1 1 calc R U . . .
C29 C 0.3062(8) 0.3927(5) 0.7396(5) 0.067(3) Uani 1 1 d . . . . .
H29A H 0.3455 0.3685 0.7818 0.101 Uiso 1 1 calc R U . . .
H29B H 0.2313 0.3719 0.7172 0.101 Uiso 1 1 calc R U . . .
H29C H 0.2938 0.4386 0.7512 0.101 Uiso 1 1 calc R U . . .
C30 C 0.3176(6) 0.4374(4) 0.5998(4) 0.0393(17) Uani 1 1 d . . . . .
H30A H 0.3586 0.4322 0.5649 0.059 Uiso 1 1 calc R U . . .
H30B H 0.3139 0.4843 0.6107 0.059 Uiso 1 1 calc R U . . .
H30C H 0.2389 0.4198 0.5818 0.059 Uiso 1 1 calc R U . . .
C31 C 1.0227(6) 0.2532(3) 0.5568(3) 0.0347(16) Uani 1 1 d . . . . .
H31A H 0.9677 0.2893 0.5543 0.052 Uiso 1 1 calc R U . . .
H31B H 1.0086 0.2332 0.5110 0.052 Uiso 1 1 calc R U . . .
H31C H 1.1019 0.2705 0.5723 0.052 Uiso 1 1 calc R U . . .
C32 C 1.1229(6) 0.1274(4) 0.6324(4) 0.0419(19) Uani 1 1 d . . . . .
H32A H 1.1113 0.0925 0.6633 0.063 Uiso 1 1 calc R U . . .
H32B H 1.1977 0.1489 0.6532 0.063 Uiso 1 1 calc R U . . .
H32C H 1.1220 0.1080 0.5880 0.063 Uiso 1 1 calc R U . . .
C33 C 0.8742(8) 0.0417(4) 0.5183(4) 0.057(2) Uani 1 1 d . . . . .
H33A H 0.8890 0.0705 0.4830 0.085 Uiso 1 1 calc R U . . .
H33B H 0.8250 0.0047 0.4959 0.085 Uiso 1 1 calc R U . . .
H33C H 0.9479 0.0246 0.5482 0.085 Uiso 1 1 calc R U . . .
C34 C 0.7677(6) 0.0322(3) 0.6364(3) 0.0323(15) Uani 1 1 d . . . . .
H34A H 0.7250 0.0560 0.6633 0.048 Uiso 1 1 calc R U . . .
H34B H 0.8407 0.0156 0.6674 0.048 Uiso 1 1 calc R U . . .
H34C H 0.7210 -0.0050 0.6123 0.048 Uiso 1 1 calc R U . . .
C35 C 0.5343(5) 0.2392(3) 0.7826(3) 0.0179(11) Uani 1 1 d . . . . .
C36 C 0.7159(5) 0.2627(3) 0.9297(3) 0.0256(13) Uani 1 1 d . . . . .
H36A H 0.6920 0.3087 0.9316 0.038 Uiso 1 1 calc R U . . .
H36B H 0.7958 0.2572 0.9591 0.038 Uiso 1 1 calc R U . . .
H36C H 0.6647 0.2338 0.9462 0.038 Uiso 1 1 calc R U . . .
H35A H 0.496(5) 0.281(3) 0.786(3) 0.017(15) Uiso 1 1 d . . . . .
H35B H 0.501(6) 0.207(4) 0.809(4) 0.04(2) Uiso 1 1 d . . . . .
H35C H 0.498(6) 0.224(3) 0.744(4) 0.031(19) Uiso 1 1 d . . . . .
Li1 Li 0.7232(9) 0.2233(5) 0.5500(5) 0.026(2) Uani 1 1 d . . . . .
Al1 Al 0.70638(14) 0.23908(8) 0.83251(8) 0.0146(3) Uani 1 1 d . . . . .
Y1 Y 0.61220(4) 0.31005(2) 0.69144(2) 0.01343(12) Uani 1 1 d . . . . .
Y2 Y 0.83298(4) 0.21358(3) 0.70207(3) 0.01452(13) Uani 1 1 d . . . . .
Si2 Si 0.39695(16) 0.39125(9) 0.67996(10) 0.0319(4) Uani 1 1 d . . . . .
H02 H 0.381(7) 0.324(4) 0.649(4) 0.07(3) Uiso 1 1 d . . . . .
Si3 Si 1.00364(15) 0.18992(9) 0.61863(9) 0.0281(4) Uani 1 1 d . . . . .
H03 H 1.030(5) 0.229(3) 0.682(3) 0.017(15) Uiso 1 1 d . . . . .
Si4 Si 0.79921(16) 0.08963(8) 0.57144(8) 0.0251(4) Uani 1 1 d . . . . .
H04 H 0.689(6) 0.109(3) 0.534(3) 0.033(18) Uiso 1 1 d . . . . .
N1 N 0.5387(5) 0.4072(2) 0.7145(2) 0.0261(11) Uani 1 1 d . . . . .
N2 N 0.8682(4) 0.1602(2) 0.6079(2) 0.0209(10) Uani 1 1 d . . . . .
C11 C 0.9869(7) 0.3870(4) 0.7604(4) 0.0255(18) Uani 0.762(8) 1 d . U P A 1
H11A H 1.0405 0.4245 0.7689 0.038 Uiso 0.762(8) 1 calc R U P A 1
H11B H 0.9071 0.4033 0.7444 0.038 Uiso 0.762(8) 1 calc R U P A 1
H11C H 1.0019 0.3584 0.7250 0.038 Uiso 0.762(8) 1 calc R U P A 1
C12 C 0.9843(9) 0.3884(5) 0.8825(4) 0.041(2) Uani 0.762(8) 1 d . U P A 1
H12A H 1.0469 0.4208 0.8979 0.062 Uiso 0.762(8) 1 calc R U P A 1
H12B H 0.9821 0.3603 0.9214 0.062 Uiso 0.762(8) 1 calc R U P A 1
H12C H 0.9102 0.4116 0.8649 0.062 Uiso 0.762(8) 1 calc R U P A 1
C13 C 1.1339(7) 0.3236(5) 0.8491(5) 0.040(3) Uani 0.762(8) 1 d . U P A 1
H13A H 1.1856 0.3617 0.8622 0.061 Uiso 0.762(8) 1 calc R U P A 1
H13B H 1.1494 0.3006 0.8102 0.061 Uiso 0.762(8) 1 calc R U P A 1
H13C H 1.1474 0.2933 0.8885 0.061 Uiso 0.762(8) 1 calc R U P A 1
H01 H 0.736(5) 0.485(6) 0.760(7) 0.049 Uiso 0.67(3) 1 d D U P B 1
Si1 Si 0.6163(9) 0.4732(4) 0.7639(5) 0.0274(14) Uani 0.67(3) 1 d D U P B 1
C27 C 0.5551(16) 0.5554(6) 0.7327(7) 0.042(4) Uani 0.67(3) 1 d . U P B 1
H27A H 0.6023 0.5899 0.7617 0.063 Uiso 0.67(3) 1 calc R U P B 1
H27B H 0.4755 0.5583 0.7353 0.063 Uiso 0.67(3) 1 calc R U P B 1
H27C H 0.5552 0.5615 0.6848 0.063 Uiso 0.67(3) 1 calc R U P B 1
C28 C 0.6271(18) 0.4626(9) 0.8572(9) 0.045(4) Uani 0.67(3) 1 d . U P B 1
H28A H 0.6763 0.4974 0.8842 0.067 Uiso 0.67(3) 1 calc R U P B 1
H28B H 0.6611 0.4194 0.8731 0.067 Uiso 0.67(3) 1 calc R U P B 1
H28C H 0.5497 0.4653 0.8631 0.067 Uiso 0.67(3) 1 calc R U P B 1
C11A C 0.929(2) 0.4229(11) 0.8125(14) 0.027(6) Uani 0.238(8) 1 d . U P A 2
H11D H 0.9836 0.4595 0.8283 0.041 Uiso 0.238(8) 1 calc R U P A 2
H11E H 0.8714 0.4235 0.8379 0.041 Uiso 0.238(8) 1 calc R U P A 2
H11F H 0.8900 0.4278 0.7630 0.041 Uiso 0.238(8) 1 calc R U P A 2
C12A C 1.066(3) 0.3567(16) 0.9090(14) 0.041(2) Uani 0.238(8) 1 d . U P A 2
H12D H 1.1498 0.3593 0.9180 0.062 Uiso 0.238(8) 1 calc R U P A 2
H12E H 1.0465 0.3190 0.9339 0.062 Uiso 0.238(8) 1 calc R U P A 2
H12F H 1.0377 0.3975 0.9247 0.062 Uiso 0.238(8) 1 calc R U P A 2
C13A C 1.076(2) 0.3468(13) 0.7877(14) 0.030(6) Uani 0.238(8) 1 d . U P A 2
H13D H 1.1103 0.3027 0.7890 0.044 Uiso 0.238(8) 1 calc R U P A 2
H13E H 1.1383 0.3792 0.8051 0.044 Uiso 0.238(8) 1 calc R U P A 2
H13F H 1.0327 0.3578 0.7401 0.044 Uiso 0.238(8) 1 calc R U P A 2
H01A H 0.691(10) 0.497(10) 0.761(12) 0.035 Uiso 0.33(3) 1 d D U P B 2
Si1A Si 0.577(2) 0.4694(9) 0.7631(10) 0.037(4) Uani 0.33(3) 1 d D U P B 2
C27A C 0.484(4) 0.5444(13) 0.7336(14) 0.054(8) Uani 0.33(3) 1 d . U P B 2
H27D H 0.5289 0.5843 0.7511 0.080 Uiso 0.33(3) 1 calc R U P B 2
H27E H 0.4168 0.5424 0.7514 0.080 Uiso 0.33(3) 1 calc R U P B 2
H27F H 0.4572 0.5456 0.6831 0.080 Uiso 0.33(3) 1 calc R U P B 2
C28A C 0.576(4) 0.458(2) 0.853(2) 0.045(4) Uani 0.33(3) 1 d . U P B 2
H28D H 0.6304 0.4886 0.8830 0.067 Uiso 0.33(3) 1 calc R U P B 2
H28E H 0.6002 0.4122 0.8675 0.067 Uiso 0.33(3) 1 calc R U P B 2
H28F H 0.4982 0.4653 0.8562 0.067 Uiso 0.33(3) 1 calc R U P B 2
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'
Li Li -0.0003 0.0001 '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'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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
C2 C1 Al1 118.3(4) . .
C2 C1 Y2 73.4(3) . .
Al1 C1 Y2 91.5(2) . .
C2 C1 H1 115(3) . .
Al1 C1 H1 123(3) . .
Y2 C1 H1 122(3) . .
C1 C2 C3 121.2(5) . .
C1 C2 C6 123.6(5) . .
C3 C2 C6 115.1(5) . .
C1 C2 Y2 77.9(3) . .
C3 C2 Y2 69.8(3) . .
C6 C2 Y2 122.2(3) . .
C4 C3 C2 128.8(5) . .
C4 C3 Y2 78.1(3) . .
C2 C3 Y2 78.7(3) . .
C4 C3 H3 115.6 . .
C2 C3 H3 115.6 . .
Y2 C3 H3 117.7 . .
C3 C4 C5 124.4(5) . .
C3 C4 C10 116.6(5) . .
C5 C4 C10 119.0(5) . .
C3 C4 Y2 71.2(3) . .
C5 C4 Y2 73.2(3) . .
C10 C4 Y2 128.6(4) . .
C4 C5 Al1 111.3(4) . .
C4 C5 Y1 150.1(4) . .
Al1 C5 Y1 84.9(2) . .
C4 C5 Y2 76.3(3) . .
Al1 C5 Y2 94.4(2) . .
Y1 C5 Y2 77.57(14) . .
C4 C5 H5 131(4) . .
Al1 C5 H5 111(4) . .
Y1 C5 H5 56(4) . .
Y2 C5 H5 123(4) . .
C7 C6 C9 106.6(5) . .
C7 C6 C8 107.2(5) . .
C9 C6 C8 110.7(5) . .
C7 C6 C2 112.9(5) . .
C9 C6 C2 108.3(5) . .
C8 C6 C2 110.9(5) . .
C6 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C6 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C6 C8 H8A 109.5 . .
C6 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C6 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C6 C9 H9A 109.5 . .
C6 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C6 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C12 C10 C11 111.6(7) . .
C13A C10 C4 115.2(12) . .
C12 C10 C4 106.7(5) . .
C11 C10 C4 110.7(5) . .
C12 C10 C13 109.9(7) . .
C11 C10 C13 106.0(6) . .
C4 C10 C13 112.0(6) . .
C13A C10 C12A 115.9(17) . .
C4 C10 C12A 108.9(11) . .
C13A C10 C11A 107.4(15) . .
C4 C10 C11A 110.1(9) . .
C12A C10 C11A 97.8(16) . .
C15 C14 Li1 72.8(4) . .
C15 C14 Y2 138.7(4) . .
Li1 C14 Y2 76.9(3) . .
C15 C14 Y1 80.0(3) . .
Li1 C14 Y1 107.3(3) . .
Y2 C14 Y1 82.96(16) . .
C15 C14 H14 109(3) . .
Li1 C14 H14 117(3) . .
Y2 C14 H14 110(3) . .
Y1 C14 H14 135(3) . .
C14 C15 C16 120.4(5) . .
C14 C15 C23 121.7(5) . .
C16 C15 C23 117.7(5) . .
C14 C15 Li1 73.0(4) . .
C16 C15 Li1 75.7(4) . .
C23 C15 Li1 127.9(4) . .
C14 C15 Y1 68.8(3) . .
C16 C15 Y1 70.7(3) . .
C23 C15 Y1 129.1(3) . .
Li1 C15 Y1 103.0(3) . .
C15 C16 C17 126.6(5) . .
C15 C16 Li1 69.4(4) . .
C17 C16 Li1 70.7(4) . .
C15 C16 Y1 77.1(3) . .
C17 C16 Y1 79.1(3) . .
Li1 C16 Y1 103.1(3) . .
C15 C16 H16 116.7 . .
C17 C16 H16 116.7 . .
Li1 C16 H16 139.5 . .
Y1 C16 H16 117.3 . .
C18 C17 C16 122.4(5) . .
C18 C17 C19 123.6(5) . .
C16 C17 C19 114.0(5) . .
C18 C17 Li1 78.9(4) . .
C16 C17 Li1 74.1(4) . .
C19 C17 Li1 120.6(4) . .
C18 C17 Y1 67.7(3) . .
C16 C17 Y1 68.5(3) . .
C19 C17 Y1 138.5(4) . .
Li1 C17 Y1 100.3(3) . .
C17 C18 Y2 134.1(4) . .
C17 C18 Y1 82.0(3) . .
Y2 C18 Y1 81.51(16) . .
C17 C18 Li1 68.9(4) . .
Y2 C18 Li1 73.2(3) . .
Y1 C18 Li1 101.9(3) . .
C17 C18 H18 118(4) . .
Y2 C18 H18 102(3) . .
Y1 C18 H18 139(3) . .
Li1 C18 H18 118(3) . .
C20 C19 C22 108.0(5) . .
C20 C19 C21 108.0(5) . .
C22 C19 C21 109.4(5) . .
C20 C19 C17 112.5(5) . .
C22 C19 C17 109.1(5) . .
C21 C19 C17 109.7(5) . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C19 C22 H22A 109.5 . .
C19 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C19 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C25 C23 C24 108.8(5) . .
C25 C23 C26 107.8(5) . .
C24 C23 C26 107.4(5) . .
C25 C23 C15 114.0(5) . .
C24 C23 C15 110.2(4) . .
C26 C23 C15 108.4(4) . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C23 C26 H26A 109.5 . .
C23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
Si2 C29 H29A 109.5 . .
Si2 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si2 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si2 C30 H30A 109.5 . .
Si2 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si2 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Si3 C31 H31A 109.5 . .
Si3 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
Si3 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Si3 C32 H32A 109.5 . .
Si3 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
Si3 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Si4 C33 H33A 109.5 . .
Si4 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si4 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si4 C34 H34A 109.5 . .
Si4 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si4 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
Al1 C35 Y1 80.19(18) . .
Al1 C35 H35A 114(3) . .
Y1 C35 H35A 82(3) . .
Al1 C35 H35B 105(4) . .
Y1 C35 H35B 169(4) . .
H35A C35 H35B 105(5) . .
Al1 C35 H35C 130(5) . .
Y1 C35 H35C 76(5) . .
H35A C35 H35C 105(6) . .
H35B C35 H35C 94(6) . .
Al1 C36 Li1 172.7(4) . 4_566
Al1 C36 H36A 109.5 . .
Li1 C36 H36A 77.0 4_566 .
Al1 C36 H36B 109.5 . .
Li1 C36 H36B 70.4 4_566 .
H36A C36 H36B 109.5 . .
Al1 C36 H36C 109.5 . .
Li1 C36 H36C 64.4 4_566 .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
N2 Li1 C15 129.1(5) . .
N2 Li1 C14 95.0(4) . .
C15 Li1 C14 34.2(2) . .
N2 Li1 C17 118.9(4) . .
C15 Li1 C17 66.2(3) . .
C14 Li1 C17 79.3(3) . .
N2 Li1 C36 113.0(4) . 4_565
C15 Li1 C36 101.3(4) . 4_565
C14 Li1 C36 123.2(5) . 4_565
C17 Li1 C36 120.7(5) . 4_565
N2 Li1 C16 143.8(5) . .
C15 Li1 C16 34.9(2) . .
C14 Li1 C16 61.4(3) . .
C17 Li1 C16 35.3(2) . .
C36 Li1 C16 103.1(4) 4_565 .
N2 Li1 C18 87.8(4) . .
C15 Li1 C18 78.5(3) . .
C14 Li1 C18 72.4(3) . .
C17 Li1 C18 32.2(2) . .
C36 Li1 C18 150.6(5) 4_565 .
C16 Li1 C18 60.1(3) . .
N2 Li1 Si4 36.8(2) . .
C15 Li1 Si4 158.3(4) . .
C14 Li1 Si4 127.5(4) . .
C17 Li1 Si4 104.1(4) . .
C36 Li1 Si4 100.3(4) 4_565 .
C16 Li1 Si4 139.4(4) . .
C18 Li1 Si4 83.8(3) . .
N2 Li1 Y2 50.9(2) . .
C15 Li1 Y2 83.5(3) . .
C14 Li1 Y2 52.4(2) . .
C17 Li1 Y2 82.3(3) . .
C36 Li1 Y2 156.7(5) 4_565 .
C16 Li1 Y2 93.8(3) . .
C18 Li1 Y2 52.6(2) . .
Si4 Li1 Y2 75.8(2) . .
C1 Al1 C36 117.1(2) . .
C1 Al1 C5 95.2(2) . .
C36 Al1 C5 112.2(2) . .
C1 Al1 C35 115.0(2) . .
C36 Al1 C35 104.1(3) . .
C5 Al1 C35 113.5(2) . .
C1 Al1 Y1 108.21(16) . .
C36 Al1 Y1 134.2(2) . .
C5 Al1 Y1 54.76(16) . .
C35 Al1 Y1 59.72(17) . .
C1 Al1 Y2 53.67(15) . .
C36 Al1 Y2 151.53(19) . .
C5 Al1 Y2 50.10(15) . .
C35 Al1 Y2 103.81(17) . .
Y1 Al1 Y2 59.32(3) . .
N1 Y1 C14 119.36(18) . .
N1 Y1 C18 160.77(19) . .
C14 Y1 C18 70.34(17) . .
N1 Y1 C5 101.59(18) . .
C14 Y1 C5 77.46(17) . .
C18 Y1 C5 96.71(17) . .
N1 Y1 C16 110.37(17) . .
C14 Y1 C16 58.19(17) . .
C18 Y1 C16 58.75(17) . .
C5 Y1 C16 133.84(17) . .
N1 Y1 C15 105.69(17) . .
C14 Y1 C15 31.22(16) . .
C18 Y1 C15 73.75(16) . .
C5 Y1 C15 107.91(17) . .
C16 Y1 C15 32.21(17) . .
N1 Y1 C17 133.09(18) . .
C14 Y1 C17 71.56(16) . .
C18 Y1 C17 30.23(16) . .
C5 Y1 C17 125.01(17) . .
C16 Y1 C17 32.35(16) . .
C15 Y1 C17 58.37(16) . .
N1 Y1 C35 94.76(18) . .
C14 Y1 C35 142.01(17) . .
C18 Y1 C35 82.64(17) . .
C5 Y1 C35 79.83(17) . .
C16 Y1 C35 127.71(18) . .
C15 Y1 C35 155.76(17) . .
C17 Y1 C35 98.10(17) . .
N1 Y1 Si2 33.20(14) . .
C14 Y1 Si2 134.76(13) . .
C18 Y1 Si2 127.85(13) . .
C5 Y1 Si2 129.24(13) . .
C16 Y1 Si2 93.74(12) . .
C15 Y1 Si2 107.14(12) . .
C17 Y1 Si2 104.45(12) . .
C35 Y1 Si2 82.96(13) . .
N1 Y1 Al1 105.79(13) . .
C14 Y1 Al1 109.11(12) . .
C18 Y1 Al1 84.49(12) . .
C5 Y1 Al1 40.30(12) . .
C16 Y1 Al1 143.10(12) . .
C15 Y1 Al1 139.30(12) . .
C17 Y1 Al1 112.93(12) . .
C35 Y1 Al1 40.09(13) . .
Si2 Y1 Al1 113.35(5) . .
N1 Y1 Y2 150.46(14) . .
C14 Y1 Y2 47.54(12) . .
C18 Y1 Y2 48.61(12) . .
C5 Y1 Y2 52.86(12) . .
C16 Y1 Y2 85.40(12) . .
C15 Y1 Y2 74.05(11) . .
C17 Y1 Y2 72.86(12) . .
C35 Y1 Y2 94.53(12) . .
Si2 Y1 Y2 176.09(4) . .
Al1 Y1 Y2 65.83(3) . .
N1 Y1 H5 79.8(18) . .
C14 Y1 H5 81.8(17) . .
C18 Y1 H5 119.1(18) . .
C5 Y1 H5 23.1(18) . .
C16 Y1 H5 138.9(17) . .
C15 Y1 H5 107.1(17) . .
C17 Y1 H5 145.0(17) . .
C35 Y1 H5 89.0(17) . .
Si2 Y1 H5 110.4(18) . .
Al1 Y1 H5 54.9(17) . .
Y2 Y1 H5 72.4(18) . .
N2 Y2 C14 90.12(17) . .
N2 Y2 C18 86.19(17) . .
C14 Y2 C18 72.36(17) . .
N2 Y2 C3 129.70(18) . .
C14 Y2 C3 120.91(18) . .
C18 Y2 C3 137.90(17) . .
N2 Y2 C5 165.50(17) . .
C14 Y2 C5 76.49(17) . .
C18 Y2 C5 94.84(17) . .
C3 Y2 C5 56.40(18) . .
N2 Y2 C4 147.62(17) . .
C14 Y2 C4 91.58(18) . .
C18 Y2 C4 124.98(18) . .
C3 Y2 C4 30.66(18) . .
C5 Y2 C4 30.50(17) . .
N2 Y2 C2 121.70(16) . .
C14 Y2 C2 146.76(17) . .
C18 Y2 C2 115.55(17) . .
C3 Y2 C2 31.49(17) . .
C5 Y2 C2 70.79(17) . .
C4 Y2 C2 56.74(17) . .
N2 Y2 C1 129.10(16) . .
C14 Y2 C1 135.00(16) . .
C18 Y2 C1 87.45(16) . .
C3 Y2 C1 54.09(16) . .
C5 Y2 C1 65.39(16) . .
C4 Y2 C1 67.43(16) . .
C2 Y2 C1 28.70(15) . .
N2 Y2 Li1 47.1(2) . .
C14 Y2 Li1 50.7(2) . .
C18 Y2 Li1 54.2(2) . .
C3 Y2 Li1 166.0(2) . .
C5 Y2 Li1 123.1(2) . .
C4 Y2 Li1 142.0(2) . .
C2 Y2 Li1 160.8(2) . .
C1 Y2 Li1 139.8(2) . .
N2 Y2 Si3 33.30(13) . .
C14 Y2 Si3 87.92(12) . .
C18 Y2 Si3 116.97(12) . .
C3 Y2 Si3 103.91(13) . .
C5 Y2 Si3 138.46(13) . .
C4 Y2 Si3 114.47(13) . .
C2 Y2 Si3 112.89(12) . .
C1 Y2 Si3 136.69(12) . .
Li1 Y2 Si3 66.8(2) . .
N2 Y2 Y1 124.39(11) . .
C14 Y2 Y1 49.50(12) . .
C18 Y2 Y1 49.87(12) . .
C3 Y2 Y1 105.37(13) . .
C5 Y2 Y1 49.57(12) . .
C4 Y2 Y1 79.35(13) . .
C2 Y2 Y1 108.82(12) . .
C1 Y2 Y1 86.63(11) . .
Li1 Y2 Y1 77.66(19) . .
Si3 Y2 Y1 136.64(4) . .
N2 Y2 Al1 156.88(13) . .
C14 Y2 Al1 100.59(12) . .
C18 Y2 Al1 77.79(12) . .
C3 Y2 Al1 60.97(12) . .
C5 Y2 Al1 35.46(12) . .
C4 Y2 Al1 53.34(12) . .
C2 Y2 Al1 54.06(12) . .
C1 Y2 Al1 34.80(11) . .
Li1 Y2 Al1 128.2(2) . .
Si3 Y2 Al1 164.85(5) . .
Y1 Y2 Al1 54.85(3) . .
N2 Y2 H03 61.4(13) . .
C14 Y2 H03 88.3(13) . .
C18 Y2 H03 142.5(13) . .
C3 Y2 H03 79.6(13) . .
C5 Y2 H03 111.9(13) . .
C4 Y2 H03 86.3(13) . .
C2 Y2 H03 98.3(13) . .
C1 Y2 H03 127.0(13) . .
Li1 Y2 H03 88.6(13) . .
Si3 Y2 H03 28.2(13) . .
Y1 Y2 H03 134.3(13) . .
Al1 Y2 H03 138.5(13) . .
N1 Si2 C29 116.8(4) . .
N1 Si2 C30 117.6(3) . .
C29 Si2 C30 107.9(3) . .
N1 Si2 Si1A 29.3(5) . .
C29 Si2 Si1A 95.9(6) . .
C30 Si2 Si1A 110.3(5) . .
N1 Si2 Y1 47.58(17) . .
C29 Si2 Y1 128.2(3) . .
C30 Si2 Y1 123.1(2) . .
Si1A Si2 Y1 76.3(5) . .
N1 Si2 H02 110(3) . .
C29 Si2 H02 105(3) . .
C30 Si2 H02 97(3) . .
Si1A Si2 H02 138(3) . .
Y1 Si2 H02 62(3) . .
N2 Si3 C31 117.8(3) . .
N2 Si3 C32 116.6(3) . .
C31 Si3 C32 108.9(3) . .
N2 Si3 Y2 49.16(16) . .
C31 Si3 Y2 120.2(2) . .
C32 Si3 Y2 129.4(2) . .
N2 Si3 H03 105(2) . .
C31 Si3 H03 100(2) . .
C32 Si3 H03 106(2) . .
Y2 Si3 H03 56(2) . .
N2 Si4 C33 115.2(3) . .
N2 Si4 C34 112.9(3) . .
C33 Si4 C34 108.3(3) . .
N2 Si4 Li1 50.6(3) . .
C33 Si4 Li1 126.5(3) . .
C34 Si4 Li1 125.0(3) . .
N2 Si4 H04 105(3) . .
C33 Si4 H04 113(3) . .
C34 Si4 H04 102(3) . .
Li1 Si4 H04 55(3) . .
Si1A N1 Si2 119.4(10) . .
Si2 N1 Si1 133.5(4) . .
Si1A N1 Y1 139.4(9) . .
Si2 N1 Y1 99.2(2) . .
Si1 N1 Y1 126.9(4) . .
Si3 N2 Si4 133.0(3) . .
Si3 N2 Li1 116.5(4) . .
Si4 N2 Li1 92.6(4) . .
Si3 N2 Y2 97.5(2) . .
Si4 N2 Y2 123.9(2) . .
Li1 N2 Y2 81.9(3) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
N1 Si1 C27 113.3(6) . .
N1 Si1 C28 110.7(7) . .
C27 Si1 C28 110.4(8) . .
N1 Si1 H01 117(5) . .
C27 Si1 H01 97(5) . .
C28 Si1 H01 107(5) . .
Si1 C27 H27A 109.5 . .
Si1 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
Si1 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
Si1 C28 H28A 109.5 . .
Si1 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
Si1 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C10 C11A H11D 109.5 . .
C10 C11A H11E 109.5 . .
H11D C11A H11E 109.5 . .
C10 C11A H11F 109.5 . .
H11D C11A H11F 109.5 . .
H11E C11A H11F 109.5 . .
C10 C12A H12D 109.5 . .
C10 C12A H12E 109.5 . .
H12D C12A H12E 109.5 . .
C10 C12A H12F 109.5 . .
H12D C12A H12F 109.5 . .
H12E C12A H12F 109.5 . .
C10 C13A H13D 109.5 . .
C10 C13A H13E 109.5 . .
H13D C13A H13E 109.5 . .
C10 C13A H13F 109.5 . .
H13D C13A H13F 109.5 . .
H13E C13A H13F 109.5 . .
N1 Si1A C28A 115.1(17) . .
N1 Si1A C27A 114.0(13) . .
C28A Si1A C27A 104.0(16) . .
N1 Si1A Si2 31.3(6) . .
C28A Si1A Si2 106.8(14) . .
C27A Si1A Si2 88.7(11) . .
N1 Si1A H01A 113(9) . .
C28A Si1A H01A 110(10) . .
C27A Si1A H01A 99(9) . .
Si2 Si1A H01A 139(9) . .
Si1A C27A H27D 109.5 . .
Si1A C27A H27E 109.5 . .
H27D C27A H27E 109.5 . .
Si1A C27A H27F 109.5 . .
H27D C27A H27F 109.5 . .
H27E C27A H27F 109.5 . .
Si1A C28A H28D 109.5 . .
Si1A C28A H28E 109.5 . .
H28D C28A H28E 109.5 . .
Si1A C28A H28F 109.5 . .
H28D C28A H28F 109.5 . .
H28E C28A H28F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.370(7) .
C1 Al1 1.976(6) .
C1 Y2 2.790(5) .
C1 H1 0.97(6) .
C2 C3 1.456(8) .
C2 C6 1.554(8) .
C2 Y2 2.733(5) .
C3 C4 1.409(9) .
C3 Y2 2.615(5) .
C3 H3 0.9500 .
C4 C5 1.412(8) .
C4 C10 1.567(8) .
C4 Y2 2.703(6) .
C5 Al1 2.014(6) .
C5 Y1 2.543(5) .
C5 Y2 2.663(5) .
C5 H5 1.01(7) .
C6 C7 1.528(9) .
C6 C9 1.532(9) .
C6 C8 1.542(8) .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C10 C13A 1.35(3) .
C10 C12 1.465(11) .
C10 C11 1.539(9) .
C10 C13 1.570(10) .
C10 C12A 1.61(3) .
C10 C11A 1.76(3) .
C14 C15 1.390(7) .
C14 Li1 2.368(11) .
C14 Y2 2.426(5) .
C14 Y1 2.500(5) .
C14 H14 1.03(6) .
C15 C16 1.445(7) .
C15 C23 1.569(7) .
C15 Li1 2.365(11) .
C15 Y1 2.641(5) .
C16 C17 1.471(7) .
C16 Li1 2.449(11) .
C16 Y1 2.558(5) .
C16 H16 0.9500 .
C17 C18 1.372(7) .
C17 C19 1.579(7) .
C17 Li1 2.403(11) .
C17 Y1 2.700(5) .
C18 Y2 2.475(5) .
C18 Y1 2.522(5) .
C18 Li1 2.528(11) .
C18 H18 0.96(6) .
C19 C20 1.505(8) .
C19 C22 1.537(8) .
C19 C21 1.543(9) .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C23 C25 1.528(8) .
C23 C24 1.537(8) .
C23 C26 1.550(8) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 H25A 0.9800 .
C25 H25B 0.9800 .
C25 H25C 0.9800 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C29 Si2 1.856(7) .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 Si2 1.875(6) .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 Si3 1.854(6) .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 Si3 1.877(6) .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 Si4 1.871(7) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 Si4 1.878(6) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 Al1 2.027(6) .
C35 Y1 2.719(6) .
C35 H35A 0.97(6) .
C35 H35B 0.99(7) .
C35 H35C 0.84(7) .
C36 Al1 1.998(5) .
C36 Li1 2.429(10) 4_566
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
Li1 N2 2.207(11) .
Li1 C36 2.429(10) 4_565
Li1 Si4 2.851(10) .
Li1 Y2 2.983(10) .
Al1 Y1 3.1019(16) .
Al1 Y2 3.4613(16) .
Y1 N1 2.265(5) .
Y1 Si2 3.0280(17) .
Y1 Y2 3.2629(7) .
Y1 H5 2.15(6) .
Y2 N2 2.339(4) .
Y2 Si3 3.0654(16) .
Y2 H03 2.55(6) .
Si2 N1 1.680(6) .
Si2 Si1A 2.82(2) .
Si2 H02 1.48(9) .
Si3 N2 1.697(5) .
Si3 H03 1.46(6) .
Si4 N2 1.709(5) .
Si4 H04 1.39(6) .
N1 Si1A 1.583(18) .
N1 Si1 1.765(11) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
Si1 C27 1.857(14) .
Si1 C28 1.869(19) .
Si1 H01 1.49(2) .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C11A H11D 0.9800 .
C11A H11E 0.9800 .
C11A H11F 0.9800 .
C12A H12D 0.9800 .
C12A H12E 0.9800 .
C12A H12F 0.9800 .
C13A H13D 0.9800 .
C13A H13E 0.9800 .
C13A H13F 0.9800 .
Si1A C28A 1.84(4) .
Si1A C27A 1.88(3) .
Si1A H01A 1.49(2) .
C27A H27D 0.9800 .
C27A H27E 0.9800 .
C27A H27F 0.9800 .
C28A H28D 0.9800 .
C28A H28E 0.9800 .
C28A H28F 0.9800 .
