#------------------------------------------------------------------------------
#$Date: 2019-11-23 13:29:04 +0200 (Sat, 23 Nov 2019) $
#$Revision: 233448 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/20/7702041.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_7702041
loop_
_publ_author_name
'Kan, Chao'
'Ge, Jilei'
'Ma, Haiyan'
_publ_section_title
;
 Aluminum methyl, alkoxide and α-alkoxy ester complexes supported by
 6,6'-dimethylbiphenyl-bridged salen ligands: synthesis, characterization
 and catalysis for rac-lactide polymerization.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6682
_journal_page_last               6695
_journal_paper_doi               10.1039/c5dt04633e
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C36 H36 Al N2 O2'
_chemical_formula_weight         555.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2014-07-17 deposited with the CCDC.
2016-03-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 108.596(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.105(3)
_cell_length_b                   12.8850(15)
_cell_length_c                   17.816(2)
_cell_measurement_reflns_used    4208
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      25.42
_cell_measurement_theta_min      2.41
_cell_volume                     6114.9(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0551
_diffrn_reflns_av_unetI/netI     0.0630
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29891
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.537
_diffrn_reflns_theta_min         1.529
_exptl_absorpt_coefficient_mu    0.101
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6927
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.207
_exptl_crystal_description       block
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.466
_refine_diff_density_min         -0.339
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     378
_refine_ls_number_reflns         9313
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0911
_refine_ls_R_factor_gt           0.0515
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0766P)²+1.8142P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1324
_refine_ls_wR_factor_ref         0.1561
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6058
_reflns_number_total             9313
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5dt04633e2.cif
_cod_data_source_block           mo_dm13645_0m
_cod_original_cell_volume        6114.8(12)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7702041
_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   0.978
_shelx_estimated_absorpt_t_max   0.991
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Al1 Al 0.16047(2) 0.94835(4) 0.40401(3) 0.01933(12) Uani 1 1 d . . .
N1 N 0.15300(5) 0.79605(10) 0.44298(8) 0.0195(3) Uani 1 1 d . . .
N2 N 0.09518(5) 0.98108(10) 0.42333(8) 0.0191(3) Uani 1 1 d . . .
O1 O 0.15183(4) 0.89525(9) 0.30874(7) 0.0242(3) Uani 1 1 d . . .
O2 O 0.16107(4) 1.08127(9) 0.36749(7) 0.0245(3) Uani 1 1 d . . .
C1 C 0.22594(6) 0.96431(14) 0.48795(11) 0.0307(4) Uani 1 1 d . . .
H1A H 0.2394 0.8957 0.5071 0.046 Uiso 1 1 calc R U .
H1B H 0.2215 1.0046 0.5319 0.046 Uiso 1 1 calc R U .
H1C H 0.2494 1.0006 0.4664 0.046 Uiso 1 1 calc R U .
C2 C 0.15965(6) 0.80204(12) 0.28280(10) 0.0204(3) Uani 1 1 d . . .
C3 C 0.16282(6) 0.79367(13) 0.20526(10) 0.0234(3) Uani 1 1 d . . .
C4 C 0.17129(7) 0.69702(14) 0.17838(11) 0.0285(4) Uani 1 1 d . . .
H4 H 0.1723 0.6915 0.1258 0.034 Uiso 1 1 calc R U .
C5 C 0.17841(8) 0.60676(15) 0.22452(12) 0.0347(4) Uani 1 1 d . . .
C6 C 0.17476(7) 0.61626(14) 0.29929(11) 0.0302(4) Uani 1 1 d . . .
H6 H 0.1790 0.5563 0.3318 0.036 Uiso 1 1 calc R U .
C7 C 0.16491(6) 0.71195(12) 0.32918(10) 0.0216(3) Uani 1 1 d . . .
C8 C 0.16102(6) 0.71402(12) 0.40782(10) 0.0216(3) Uani 1 1 d . . .
H8 H 0.1647 0.6501 0.4357 0.026 Uiso 1 1 calc R U .
C9 C 0.15316(6) 0.78819(12) 0.52336(10) 0.0207(3) Uani 1 1 d . . .
C10 C 0.19676(6) 0.76259(14) 0.58366(10) 0.0260(4) Uani 1 1 d . . .
H10 H 0.2255 0.7391 0.5716 0.031 Uiso 1 1 calc R U .
C11 C 0.19790(7) 0.77166(15) 0.66156(11) 0.0301(4) Uani 1 1 d . . .
H11 H 0.2274 0.7537 0.7033 0.036 Uiso 1 1 calc R U .
C12 C 0.15583(7) 0.80705(14) 0.67869(11) 0.0300(4) Uani 1 1 d . . .
H12 H 0.1575 0.8166 0.7323 0.036 Uiso 1 1 calc R U .
C13 C 0.11131(6) 0.82871(13) 0.61857(10) 0.0249(3) Uani 1 1 d . . .
C14 C 0.10942(6) 0.81621(12) 0.53974(10) 0.0203(3) Uani 1 1 d . . .
C15 C 0.06213(6) 0.82624(12) 0.47179(10) 0.0200(3) Uani 1 1 d . . .
C16 C 0.02352(6) 0.75176(13) 0.46001(11) 0.0248(3) Uani 1 1 d . . .
C17 C -0.02004(6) 0.76258(14) 0.39548(12) 0.0299(4) Uani 1 1 d . . .
H17 H -0.0462 0.7129 0.3877 0.036 Uiso 1 1 calc R U .
C18 C -0.02620(6) 0.84373(15) 0.34249(11) 0.0307(4) Uani 1 1 d . . .
H18 H -0.0564 0.8501 0.2992 0.037 Uiso 1 1 calc R U .
C19 C 0.01209(6) 0.91568(14) 0.35315(10) 0.0262(4) Uani 1 1 d . . .
H19 H 0.0083 0.9717 0.3171 0.031 Uiso 1 1 calc R U .
C20 C 0.05600(6) 0.90576(12) 0.41652(10) 0.0206(3) Uani 1 1 d . . .
C21 C 0.08311(6) 1.07610(12) 0.43558(10) 0.0211(3) Uani 1 1 d . . .
H21 H 0.0529 1.0849 0.4480 0.025 Uiso 1 1 calc R U .
C22 C 0.11058(6) 1.16759(12) 0.43219(10) 0.0215(3) Uani 1 1 d . . .
C23 C 0.15044(6) 1.16577(12) 0.39964(9) 0.0200(3) Uani 1 1 d . . .
C24 C 0.17805(6) 1.25892(13) 0.40195(10) 0.0231(3) Uani 1 1 d . . .
C25 C 0.16209(7) 1.34824(13) 0.42911(11) 0.0280(4) Uani 1 1 d . . .
H25 H 0.1803 1.4104 0.4293 0.034 Uiso 1 1 calc R U .
C26 C 0.12038(7) 1.35265(13) 0.45662(12) 0.0302(4) Uani 1 1 d . . .
C27 C 0.09570(7) 1.26150(13) 0.45873(11) 0.0277(4) Uani 1 1 d . . .
H27 H 0.0680 1.2616 0.4785 0.033 Uiso 1 1 calc R U .
C28 C 0.10357(9) 1.45412(15) 0.48146(15) 0.0452(5) Uani 1 1 d . . .
H28A H 0.0793 1.4872 0.4356 0.068 Uiso 1 1 calc R U .
H28B H 0.1327 1.4998 0.5026 0.068 Uiso 1 1 calc R U .
H28C H 0.0878 1.4415 0.5224 0.068 Uiso 1 1 calc R U .
C29 C 0.22483(7) 1.25688(15) 0.37914(12) 0.0312(4) Uani 1 1 d . . .
H29A H 0.2250 1.3164 0.3450 0.047 Uiso 1 1 calc R U .
H29B H 0.2260 1.1924 0.3506 0.047 Uiso 1 1 calc R U .
H29C H 0.2542 1.2605 0.4269 0.047 Uiso 1 1 calc R U .
C30 C 0.02930(7) 0.65971(14) 0.51417(13) 0.0334(4) Uani 1 1 d . . .
H30A H 0.0168 0.6775 0.5580 0.050 Uiso 1 1 calc R U .
H30B H 0.0648 0.6406 0.5353 0.050 Uiso 1 1 calc R U .
H30C H 0.0100 0.6011 0.4845 0.050 Uiso 1 1 calc R U .
C31 C 0.06681(7) 0.86862(16) 0.64001(12) 0.0337(4) Uani 1 1 d . . .
H31A H 0.0438 0.8111 0.6391 0.051 Uiso 1 1 calc R U .
H31B H 0.0493 0.9216 0.6017 0.051 Uiso 1 1 calc R U .
H31C H 0.0784 0.8990 0.6932 0.051 Uiso 1 1 calc R U .
C32 C 0.19033(11) 0.50359(18) 0.19370(15) 0.0603(7) Uani 1 1 d . . .
H32A H 0.2103 0.5155 0.1583 0.090 Uiso 1 1 calc R U .
H32B H 0.1590 0.4683 0.1646 0.090 Uiso 1 1 calc R U .
H32C H 0.2094 0.4602 0.2383 0.090 Uiso 1 1 calc R U .
C33 C 0.15768(7) 0.89000(15) 0.15551(11) 0.0308(4) Uani 1 1 d . . .
H33A H 0.1653 0.8734 0.1069 0.046 Uiso 1 1 calc R U .
H33B H 0.1811 0.9430 0.1854 0.046 Uiso 1 1 calc R U .
H33C H 0.1233 0.9164 0.1419 0.046 Uiso 1 1 calc R U .
C34 C 0.0000 0.5598(5) 0.2500 0.119(2) Uani 1 2 d S T P
H34 H 0.0000 0.6336 0.2500 0.143 Uiso 1 2 calc R U P
C35 C 0.04128(17) 0.5081(4) 0.2475(3) 0.1169(17) Uani 1 1 d . . .
H35 H 0.0700 0.5455 0.2456 0.140 Uiso 1 1 calc R U .
C36 C 0.04162(18) 0.4009(5) 0.2476(3) 0.1207(17) Uani 1 1 d . . .
H36 H 0.0704 0.3635 0.2461 0.145 Uiso 1 1 calc R U .
C37 C 0.0000 0.3504(6) 0.2500 0.118(2) Uani 1 2 d S T P
H37 H 0.0000 0.2767 0.2500 0.141 Uiso 1 2 calc R U P
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'
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
O1 Al1 O2 91.99(6) . .
O1 Al1 C1 125.06(7) . .
O2 Al1 C1 93.42(7) . .
O1 Al1 N2 112.94(6) . .
O2 Al1 N2 88.68(5) . .
C1 Al1 N2 121.81(7) . .
O1 Al1 N1 87.62(6) . .
O2 Al1 N1 175.09(6) . .
C1 Al1 N1 90.81(7) . .
N2 Al1 N1 86.96(5) . .
C8 N1 C9 118.92(14) . .
C8 N1 Al1 123.53(11) . .
C9 N1 Al1 115.11(10) . .
C21 N2 C20 114.33(13) . .
C21 N2 Al1 121.54(11) . .
C20 N2 Al1 123.81(10) . .
C2 O1 Al1 133.91(11) . .
C23 O2 Al1 126.35(10) . .
Al1 C1 H1A 109.5 . .
Al1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Al1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
O1 C2 C7 122.66(14) . .
O1 C2 C3 118.45(15) . .
C7 C2 C3 118.89(15) . .
C4 C3 C2 118.55(16) . .
C4 C3 C33 122.27(16) . .
C2 C3 C33 119.17(15) . .
C3 C4 C5 123.57(17) . .
C3 C4 H4 118.2 . .
C5 C4 H4 118.2 . .
C6 C5 C4 117.00(16) . .
C6 C5 C32 121.52(19) . .
C4 C5 C32 121.48(18) . .
C5 C6 C7 122.03(17) . .
C5 C6 H6 119.0 . .
C7 C6 H6 119.0 . .
C2 C7 C6 119.90(15) . .
C2 C7 C8 122.04(15) . .
C6 C7 C8 118.05(15) . .
N1 C8 C7 124.70(15) . .
N1 C8 H8 117.7 . .
C7 C8 H8 117.7 . .
C10 C9 C14 121.19(15) . .
C10 C9 N1 120.72(14) . .
C14 C9 N1 117.84(14) . .
C11 C10 C9 119.28(15) . .
C11 C10 H10 120.4 . .
C9 C10 H10 120.4 . .
C10 C11 C12 119.96(16) . .
C10 C11 H11 120.0 . .
C12 C11 H11 120.0 . .
C11 C12 C13 121.08(16) . .
C11 C12 H12 119.5 . .
C13 C12 H12 119.5 . .
C12 C13 C14 119.15(15) . .
C12 C13 C31 119.19(16) . .
C14 C13 C31 121.62(16) . .
C13 C14 C9 119.02(15) . .
C13 C14 C15 122.98(14) . .
C9 C14 C15 117.93(14) . .
C20 C15 C16 118.58(15) . .
C20 C15 C14 121.00(14) . .
C16 C15 C14 120.34(14) . .
C17 C16 C15 119.04(16) . .
C17 C16 C30 119.65(15) . .
C15 C16 C30 121.28(16) . .
C18 C17 C16 121.66(16) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 119.30(16) . .
C17 C18 H18 120.3 . .
C19 C18 H18 120.3 . .
C18 C19 C20 119.99(17) . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C15 121.35(15) . .
C19 C20 N2 117.60(14) . .
C15 C20 N2 121.06(14) . .
N2 C21 C22 126.62(14) . .
N2 C21 H21 116.7 . .
C22 C21 H21 116.7 . .
C27 C22 C23 120.61(15) . .
C27 C22 C21 118.33(14) . .
C23 C22 C21 120.99(14) . .
O2 C23 C22 120.91(14) . .
O2 C23 C24 121.09(14) . .
C22 C23 C24 117.99(14) . .
C25 C24 C23 118.65(15) . .
C25 C24 C29 121.54(15) . .
C23 C24 C29 119.73(15) . .
C24 C25 C26 123.78(16) . .
C24 C25 H25 118.1 . .
C26 C25 H25 118.1 . .
C27 C26 C25 117.37(16) . .
C27 C26 C28 121.84(17) . .
C25 C26 C28 120.79(17) . .
C26 C27 C22 121.28(16) . .
C26 C27 H27 119.4 . .
C22 C27 H27 119.4 . .
C26 C28 H28A 109.5 . .
C26 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C26 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C24 C29 H29A 109.5 . .
C24 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C24 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C16 C30 H30A 109.5 . .
C16 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C16 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C13 C31 H31A 109.5 . .
C13 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
C13 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
C5 C32 H32A 109.5 . .
C5 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C5 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C3 C33 H33A 109.5 . .
C3 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C3 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C35 C34 C35 120.9(6) 2 .
C35 C34 H34 119.5 2 .
C35 C34 H34 119.5 . .
C34 C35 C36 119.9(5) . .
C34 C35 H35 120.0 . .
C36 C35 H35 120.0 . .
C37 C36 C35 118.4(5) . .
C37 C36 H36 120.8 . .
C35 C36 H36 120.8 . .
C36 C37 C36 122.4(7) . 2
C36 C37 H37 118.8 . .
C36 C37 H37 118.8 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O1 1.7733(12) .
Al1 O2 1.8340(12) .
Al1 C1 1.9771(18) .
Al1 N2 2.0165(13) .
Al1 N1 2.1142(14) .
N1 C8 1.285(2) .
N1 C9 1.434(2) .
N2 C21 1.307(2) .
N2 C20 1.444(2) .
O1 C2 1.3301(19) .
O2 C23 1.3083(19) .
C1 H1A 0.9800 .
C1 H1B 0.9800 .
C1 H1C 0.9800 .
C2 C7 1.405(2) .
C2 C3 1.417(2) .
C3 C4 1.382(2) .
C3 C33 1.505(2) .
C4 C5 1.401(3) .
C4 H4 0.9500 .
C5 C6 1.374(3) .
C5 C32 1.516(3) .
C6 C7 1.405(2) .
C6 H6 0.9500 .
C7 C8 1.440(2) .
C8 H8 0.9500 .
C9 C10 1.387(2) .
C9 C14 1.399(2) .
C10 C11 1.383(3) .
C10 H10 0.9500 .
C11 C12 1.389(2) .
C11 H11 0.9500 .
C12 C13 1.391(3) .
C12 H12 0.9500 .
C13 C14 1.398(2) .
C13 C31 1.510(2) .
C14 C15 1.491(2) .
C15 C20 1.393(2) .
C15 C16 1.413(2) .
C16 C17 1.394(3) .
C16 C30 1.505(2) .
C17 C18 1.382(3) .
C17 H17 0.9500 .
C18 C19 1.387(2) .
C18 H18 0.9500 .
C19 C20 1.388(2) .
C19 H19 0.9500 .
C21 C22 1.421(2) .
C21 H21 0.9500 .
C22 C27 1.410(2) .
C22 C23 1.417(2) .
C23 C24 1.423(2) .
C24 C25 1.378(2) .
C24 C29 1.495(2) .
C25 C26 1.408(3) .
C25 H25 0.9500 .
C26 C27 1.371(2) .
C26 C28 1.504(2) .
C27 H27 0.9500 .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C35 1.351(6) 2
C34 C35 1.351(6) .
C34 H34 0.9500 .
C35 C36 1.382(7) .
C35 H35 0.9500 .
C36 C37 1.351(6) .
C36 H36 0.9500 .
C37 C36 1.351(6) 2
C37 H37 0.9500 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O2 Al1 O1 C2 159.56(14) . .
C1 Al1 O1 C2 63.98(17) . .
N2 Al1 O1 C2 -111.03(14) . .
N1 Al1 O1 C2 -25.34(14) . .
O1 Al1 O2 C23 156.59(13) . .
C1 Al1 O2 C23 -78.10(14) . .
N2 Al1 O2 C23 43.68(13) . .
Al1 O1 C2 C7 18.5(2) . .
Al1 O1 C2 C3 -161.41(12) . .
O1 C2 C3 C4 179.56(14) . .
C7 C2 C3 C4 -0.4(2) . .
O1 C2 C3 C33 0.5(2) . .
C7 C2 C3 C33 -179.46(15) . .
C2 C3 C4 C5 -1.9(3) . .
C33 C3 C4 C5 177.12(17) . .
C3 C4 C5 C6 2.5(3) . .
C3 C4 C5 C32 -176.7(2) . .
C4 C5 C6 C7 -0.7(3) . .
C32 C5 C6 C7 178.5(2) . .
O1 C2 C7 C6 -177.91(15) . .
C3 C2 C7 C6 2.0(2) . .
O1 C2 C7 C8 1.5(2) . .
C3 C2 C7 C8 -178.60(14) . .
C5 C6 C7 C2 -1.5(3) . .
C5 C6 C7 C8 179.11(17) . .
C9 N1 C8 C7 -176.06(14) . .
Al1 N1 C8 C7 -14.7(2) . .
C2 C7 C8 N1 -0.6(2) . .
C6 C7 C8 N1 178.79(16) . .
C8 N1 C9 C10 65.3(2) . .
Al1 N1 C9 C10 -97.57(16) . .
C8 N1 C9 C14 -120.33(16) . .
Al1 N1 C9 C14 76.77(16) . .
C14 C9 C10 C11 -4.4(3) . .
N1 C9 C10 C11 169.77(16) . .
C9 C10 C11 C12 -0.6(3) . .
C10 C11 C12 C13 3.4(3) . .
C11 C12 C13 C14 -1.1(3) . .
C11 C12 C13 C31 -179.04(17) . .
C12 C13 C14 C9 -3.8(2) . .
C31 C13 C14 C9 174.11(16) . .
C12 C13 C14 C15 173.12(15) . .
C31 C13 C14 C15 -9.0(2) . .
C10 C9 C14 C13 6.6(2) . .
N1 C9 C14 C13 -167.75(14) . .
C10 C9 C14 C15 -170.47(15) . .
N1 C9 C14 C15 15.2(2) . .
C13 C14 C15 C20 114.80(18) . .
C9 C14 C15 C20 -68.3(2) . .
C13 C14 C15 C16 -68.4(2) . .
C9 C14 C15 C16 108.48(17) . .
C20 C15 C16 C17 -2.5(2) . .
C14 C15 C16 C17 -179.31(15) . .
C20 C15 C16 C30 175.58(15) . .
C14 C15 C16 C30 -1.3(2) . .
C15 C16 C17 C18 0.5(3) . .
C30 C16 C17 C18 -177.54(17) . .
C16 C17 C18 C19 0.7(3) . .
C17 C18 C19 C20 0.0(3) . .
C18 C19 C20 C15 -2.0(3) . .
C18 C19 C20 N2 178.16(15) . .
C16 C15 C20 C19 3.2(2) . .
C14 C15 C20 C19 -179.95(15) . .
C16 C15 C20 N2 -176.93(14) . .
C14 C15 C20 N2 -0.1(2) . .
C21 N2 C20 C19 64.15(19) . .
Al1 N2 C20 C19 -109.37(15) . .
C21 N2 C20 C15 -115.70(17) . .
Al1 N2 C20 C15 70.78(18) . .
C20 N2 C21 C22 -169.30(16) . .
Al1 N2 C21 C22 4.4(2) . .
N2 C21 C22 C27 -170.61(16) . .
N2 C21 C22 C23 12.3(3) . .
Al1 O2 C23 C22 -39.6(2) . .
Al1 O2 C23 C24 141.27(13) . .
C27 C22 C23 O2 -172.90(15) . .
C21 C22 C23 O2 4.2(2) . .
C27 C22 C23 C24 6.2(2) . .
C21 C22 C23 C24 -176.73(15) . .
O2 C23 C24 C25 173.47(15) . .
C22 C23 C24 C25 -5.6(2) . .
O2 C23 C24 C29 -9.7(2) . .
C22 C23 C24 C29 171.20(16) . .
C23 C24 C25 C26 1.4(3) . .
C29 C24 C25 C26 -175.33(18) . .
C24 C25 C26 C27 2.4(3) . .
C24 C25 C26 C28 -176.82(19) . .
C25 C26 C27 C22 -1.8(3) . .
C28 C26 C27 C22 177.34(19) . .
C23 C22 C27 C26 -2.5(3) . .
C21 C22 C27 C26 -179.59(17) . .
C35 C34 C35 C36 -0.1(3) 2 .
C34 C35 C36 C37 0.3(6) . .
C35 C36 C37 C36 -0.1(3) . 2
