#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:34:47 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179384 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/81/4328139.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_4328139
loop_
_publ_author_name
'Thomas W. Myers'
'Louise A. Berben'
_publ_section_title
;
 A Sterically Demanding Iminopyridine Ligand Affords Redox-Active
 Complexes of Aluminum(III) and Gallium(III)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1480
_journal_page_last               1488
_journal_paper_doi               10.1021/ic201729b
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C33 H47 Al N2'
_chemical_formula_weight         498.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2380(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.2859(4)
_cell_length_b                   17.0176(6)
_cell_length_c                   16.6324(6)
_cell_measurement_reflns_used    90
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      28.34
_cell_measurement_theta_min      2.54
_cell_volume                     3082.09(19)
_computing_cell_refinement       'Bruker Apex'
_computing_data_collection       'Bruker Apex'
_computing_data_reduction        'Bruker Saint'
_computing_molecular_graphics    'Bruker Shelxtl'
_computing_publication_material  'Bruker Shelxtl'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_sigmaI/netI    0.0321
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            46498
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         32.35
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_T_max  0.9922
_exptl_absorpt_correction_T_min  0.9686
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.075
_exptl_crystal_description       block
_exptl_crystal_F_000             1088
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.795
_refine_diff_density_min         -0.563
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.943
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         10916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.943
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0542
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0677P)²+2.4583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1385
_refine_ls_wR_factor_ref         0.1529
_reflns_number_gt                8185
_reflns_number_total             10916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201729b_si_002_3.cif
_cod_data_source_block           twm53
_cod_database_code               4328139
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Al1 Al -0.28602(3) 0.07213(2) -0.24260(2) 0.01749(9) Uani 1 1 d .
N1 N -0.21558(9) -0.02924(6) -0.21422(6) 0.01592(18) Uani 1 1 d .
N2 N -0.12236(9) 0.10004(6) -0.25383(6) 0.01621(18) Uani 1 1 d .
C1 C -0.09636(11) -0.03487(7) -0.21697(8) 0.0179(2) Uani 1 1 d .
C2 C -0.04511(11) 0.03554(7) -0.24069(8) 0.0171(2) Uani 1 1 d .
C3 C 0.07479(12) 0.04162(8) -0.25129(9) 0.0224(2) Uani 1 1 d .
H3A H 0.1267 -0.0018 -0.2421 0.027 Uiso 1 1 calc R
C4 C 0.11383(13) 0.11184(8) -0.27522(10) 0.0275(3) Uani 1 1 d .
H4A H 0.1923 0.1164 -0.2828 0.033 Uiso 1 1 calc R
C5 C 0.03438(13) 0.17718(8) -0.28833(10) 0.0269(3) Uani 1 1 d .
H5A H 0.0601 0.2251 -0.3047 0.032 Uiso 1 1 calc R
C6 C -0.08195(12) 0.16977(7) -0.27670(8) 0.0191(2) Uani 1 1 d .
C7 C -0.27162(11) -0.09765(7) -0.18899(8) 0.0166(2) Uani 1 1 d .
C8 C -0.26182(12) -0.11002(7) -0.10366(8) 0.0210(2) Uani 1 1 d .
C9 C -0.31542(15) -0.17720(9) -0.08012(10) 0.0291(3) Uani 1 1 d .
H9A H -0.3096 -0.1859 -0.0240 0.035 Uiso 1 1 calc R
C10 C -0.37703(15) -0.23106(9) -0.13866(11) 0.0312(3) Uani 1 1 d .
H10A H -0.4114 -0.2758 -0.1218 0.037 Uiso 1 1 calc R
C11 C -0.38724(13) -0.21813(8) -0.22230(10) 0.0271(3) Uani 1 1 d .
H11A H -0.4294 -0.2543 -0.2614 0.033 Uiso 1 1 calc R
C12 C -0.33542(12) -0.15171(7) -0.24934(8) 0.0206(2) Uani 1 1 d .
C13 C -0.19342(14) -0.05373(8) -0.03633(9) 0.0251(3) Uani 1 1 d .
H13A H -0.1675 -0.0084 -0.0638 0.030 Uiso 1 1 calc R
C14 C -0.27568(17) -0.02372(10) 0.01728(10) 0.0357(3) Uani 1 1 d .
H14A H -0.3485 -0.0005 -0.0180 0.054 Uiso 1 1 calc R
H14B H -0.2320 0.0149 0.0559 0.054 Uiso 1 1 calc R
H14C H -0.2981 -0.0668 0.0475 0.054 Uiso 1 1 calc R
C15 C -0.07814(16) -0.09239(11) 0.01932(10) 0.0358(3) Uani 1 1 d .
H15A H -0.0262 -0.1100 -0.0144 0.054 Uiso 1 1 calc R
H15B H -0.1015 -0.1365 0.0478 0.054 Uiso 1 1 calc R
H15C H -0.0345 -0.0549 0.0594 0.054 Uiso 1 1 calc R
C16 C -0.35001(14) -0.14021(8) -0.34182(9) 0.0259(3) Uani 1 1 d .
H16A H -0.3077 -0.0915 -0.3492 0.031 Uiso 1 1 calc R
C17 C -0.48560(16) -0.13180(12) -0.38921(11) 0.0403(4) Uani 1 1 d .
H17A H -0.5215 -0.0892 -0.3659 0.060 Uiso 1 1 calc R
H17B H -0.5283 -0.1797 -0.3845 0.060 Uiso 1 1 calc R
H17C H -0.4919 -0.1213 -0.4469 0.060 Uiso 1 1 calc R
C18 C -0.2909(2) -0.20799(11) -0.37802(12) 0.0452(4) Uani 1 1 d .
H18A H -0.2058 -0.2121 -0.3484 0.068 Uiso 1 1 calc R
H18B H -0.2978 -0.1981 -0.4359 0.068 Uiso 1 1 calc R
H18C H -0.3321 -0.2562 -0.3724 0.068 Uiso 1 1 calc R
C19 C -0.02471(14) -0.10700(9) -0.19771(11) 0.0301(3) Uani 1 1 d .
H19A H -0.0555 -0.1381 -0.1594 0.045 Uiso 1 1 calc R
H19B H 0.0598 -0.0941 -0.1730 0.045 Uiso 1 1 calc R
H19C H -0.0314 -0.1363 -0.2480 0.045 Uiso 1 1 calc R
C20 C -0.16745(11) 0.23840(7) -0.28707(8) 0.0190(2) Uani 1 1 d .
C21 C -0.17341(12) 0.28202(7) -0.21664(9) 0.0207(2) Uani 1 1 d .
C22 C -0.25107(13) 0.34732(8) -0.22712(10) 0.0250(3) Uani 1 1 d .
H22A H -0.2561 0.3760 -0.1805 0.030 Uiso 1 1 calc R
C23 C -0.32105(12) 0.37057(8) -0.30534(10) 0.0265(3) Uani 1 1 d .
C24 C -0.31243(13) 0.32700(8) -0.37422(10) 0.0270(3) Uani 1 1 d .
H24A H -0.3587 0.3421 -0.4269 0.032 Uiso 1 1 calc R
C25 C -0.23624(12) 0.26115(8) -0.36680(9) 0.0232(3) Uani 1 1 d .
C26 C -0.09388(14) 0.26164(9) -0.13135(9) 0.0272(3) Uani 1 1 d .
H26A H -0.1117 0.2968 -0.0909 0.041 Uiso 1 1 calc R
H26B H -0.0090 0.2665 -0.1309 0.041 Uiso 1 1 calc R
H26C H -0.1103 0.2086 -0.1178 0.041 Uiso 1 1 calc R
C27 C -0.40373(14) 0.44155(9) -0.31477(13) 0.0363(4) Uani 1 1 d .
H27A H -0.3979 0.4713 -0.3626 0.054 Uiso 1 1 calc R
H27B H -0.3788 0.4737 -0.2658 0.054 Uiso 1 1 calc R
H27C H -0.4871 0.4247 -0.3219 0.054 Uiso 1 1 calc R
C28 C -0.22662(16) 0.21704(10) -0.44342(10) 0.0336(3) Uani 1 1 d .
H28A H -0.2820 0.2396 -0.4918 0.050 Uiso 1 1 calc R
H28B H -0.2476 0.1629 -0.4386 0.050 Uiso 1 1 calc R
H28C H -0.1441 0.2205 -0.4486 0.050 Uiso 1 1 calc R
C29 C -0.40993(12) 0.07812(8) -0.35241(9) 0.0232(3) Uani 1 1 d .
H29A H -0.3822 0.0478 -0.3926 0.035 Uiso 1 1 calc R
H29B H -0.4205 0.1319 -0.3703 0.035 Uiso 1 1 calc R
H29C H -0.4868 0.0575 -0.3473 0.035 Uiso 1 1 calc R
C30 C -0.33895(13) 0.12457(7) -0.15173(9) 0.0236(3) Uani 1 1 d .
H30A H -0.2747 0.1209 -0.1009 0.035 Uiso 1 1 calc R
H30B H -0.4116 0.0994 -0.1445 0.035 Uiso 1 1 calc R
H30C H -0.3562 0.1789 -0.1656 0.035 Uiso 1 1 calc R
C31 C -0.7542(2) 0.04222(17) -0.47152(15) 0.0593(6) Uani 1 1 d .
H31A H -0.6812 0.0432 -0.4908 0.089 Uiso 1 1 calc R
H31B H -0.7516 -0.0022 -0.4355 0.089 Uiso 1 1 calc R
H31C H -0.7592 0.0897 -0.4414 0.089 Uiso 1 1 calc R
C32 C -0.86639(19) 0.03579(15) -0.54585(14) 0.0501(5) Uani 1 1 d .
H32A H -0.8603 -0.0125 -0.5755 0.060 Uiso 1 1 calc R
H32B H -0.8652 0.0792 -0.5835 0.060 Uiso 1 1 calc R
C33 C -0.98943(18) 0.03640(12) -0.52354(13) 0.0437(4) Uani 1 1 d .
H33A H -0.9930 0.0824 -0.4898 0.052 Uiso 1 1 calc R
H33B H -1.0551 0.0407 -0.5744 0.052 Uiso 1 1 calc R
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'
Al Al 0.0645 0.0514 '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
N1 Al1 N2 84.31(4) .
N1 Al1 C30 114.15(5) .
N2 Al1 C30 116.38(5) .
N1 Al1 C29 114.86(5) .
N2 Al1 C29 110.62(5) .
C30 Al1 C29 113.44(6) .
C1 N1 C7 117.83(10) .
C1 N1 Al1 114.01(8) .
C7 N1 Al1 128.15(8) .
C6 N2 C2 119.51(10) .
C6 N2 Al1 129.08(8) .
C2 N2 Al1 111.27(8) .
N1 C1 C2 115.16(10) .
N1 C1 C19 123.20(11) .
C2 C1 C19 121.64(11) .
N2 C2 C3 120.43(11) .
N2 C2 C1 115.13(10) .
C3 C2 C1 124.44(11) .
C4 C3 C2 119.48(12) .
C4 C3 H3A 120.3 .
C2 C3 H3A 120.3 .
C3 C4 C5 119.59(12) .
C3 C4 H4A 120.2 .
C5 C4 H4A 120.2 .
C6 C5 C4 119.70(12) .
C6 C5 H5A 120.1 .
C4 C5 H5A 120.1 .
N2 C6 C5 121.27(11) .
N2 C6 C20 117.36(11) .
C5 C6 C20 121.35(11) .
C8 C7 C12 120.59(11) .
C8 C7 N1 119.34(11) .
C12 C7 N1 120.07(11) .
C9 C8 C7 118.63(12) .
C9 C8 C13 118.85(12) .
C7 C8 C13 122.51(11) .
C10 C9 C8 121.30(14) .
C10 C9 H9A 119.4 .
C8 C9 H9A 119.4 .
C9 C10 C11 119.72(13) .
C9 C10 H10A 120.1 .
C11 C10 H10A 120.1 .
C10 C11 C12 121.35(13) .
C10 C11 H11A 119.3 .
C12 C11 H11A 119.3 .
C11 C12 C7 118.41(12) .
C11 C12 C16 119.15(12) .
C7 C12 C16 122.44(11) .
C8 C13 C15 111.12(12) .
C8 C13 C14 111.72(13) .
C15 C13 C14 109.84(13) .
C8 C13 H13A 108.0 .
C15 C13 H13A 108.0 .
C14 C13 H13A 108.0 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C12 C16 C17 111.18(13) .
C12 C16 C18 111.03(13) .
C17 C16 C18 110.31(14) .
C12 C16 H16A 108.1 .
C17 C16 H16A 108.1 .
C18 C16 H16A 108.1 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C1 C19 H19A 109.5 .
C1 C19 H19B 109.5 .
H19A C19 H19B 109.5 .
C1 C19 H19C 109.5 .
H19A C19 H19C 109.5 .
H19B C19 H19C 109.5 .
C21 C20 C25 120.45(12) .
C21 C20 C6 119.20(11) .
C25 C20 C6 120.28(12) .
C22 C21 C20 118.85(13) .
C22 C21 C26 119.96(13) .
C20 C21 C26 121.13(12) .
C23 C22 C21 121.77(13) .
C23 C22 H22A 119.1 .
C21 C22 H22A 119.1 .
C24 C23 C22 118.30(12) .
C24 C23 C27 121.12(15) .
C22 C23 C27 120.58(15) .
C23 C24 C25 121.98(13) .
C23 C24 H24A 119.0 .
C25 C24 H24A 119.0 .
C24 C25 C20 118.63(13) .
C24 C25 C28 120.25(13) .
C20 C25 C28 121.11(13) .
C21 C26 H26A 109.5 .
C21 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C21 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C23 C27 H27A 109.5 .
C23 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C23 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C25 C28 H28A 109.5 .
C25 C28 H28B 109.5 .
H28A C28 H28B 109.5 .
C25 C28 H28C 109.5 .
H28A C28 H28C 109.5 .
H28B C28 H28C 109.5 .
Al1 C29 H29A 109.5 .
Al1 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
Al1 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
Al1 C30 H30A 109.5 .
Al1 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
Al1 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
C32 C31 H31A 109.5 .
C32 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
C32 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
C31 C32 C33 114.62(18) .
C31 C32 H32A 108.6 .
C33 C32 H32A 108.6 .
C31 C32 H32B 108.6 .
C33 C32 H32B 108.6 .
H32A C32 H32B 107.6 .
C33 C33 C32 113.3(2) 3_354
C33 C33 H33A 108.9 3_354
C32 C33 H33A 108.9 .
C33 C33 H33B 108.9 3_354
C32 C33 H33B 108.9 .
H33A C33 H33B 107.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 N1 1.9061(10) .
Al1 N2 1.9630(11) .
Al1 C30 1.9779(14) .
Al1 C29 1.9898(13) .
N1 C1 1.3616(15) .
N1 C7 1.4391(15) .
N2 C6 1.3608(15) .
N2 C2 1.3829(15) .
C1 C2 1.4302(17) .
C1 C19 1.4585(18) .
C2 C3 1.4137(17) .
C3 C4 1.3685(19) .
C3 H3A 0.9300 .
C4 C5 1.4089(19) .
C4 H4A 0.9300 .
C5 C6 1.3823(18) .
C5 H5A 0.9300 .
C6 C20 1.4958(17) .
C7 C8 1.4100(18) .
C7 C12 1.4116(17) .
C8 C9 1.3967(18) .
C8 C13 1.5209(19) .
C9 C10 1.384(2) .
C9 H9A 0.9300 .
C10 C11 1.383(2) .
C10 H10A 0.9300 .
C11 C12 1.4000(18) .
C11 H11A 0.9300 .
C12 C16 1.516(2) .
C13 C15 1.533(2) .
C13 C14 1.534(2) .
C13 H13A 0.9800 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.533(2) .
C16 C18 1.533(2) .
C16 H16A 0.9800 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 C21 1.4033(18) .
C20 C25 1.4036(19) .
C21 C22 1.3976(18) .
C21 C26 1.506(2) .
C22 C23 1.390(2) .
C22 H22A 0.9300 .
C23 C24 1.389(2) .
C23 C27 1.5091(19) .
C24 C25 1.3981(19) .
C24 H24A 0.9300 .
C25 C28 1.507(2) .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
C27 H27A 0.9600 .
C27 H27B 0.9600 .
C27 H27C 0.9600 .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.523(3) .
C31 H31A 0.9600 .
C31 H31B 0.9600 .
C31 H31C 0.9600 .
C32 C33 1.529(3) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C33 1.518(4) 3_354
C33 H33A 0.9700 .
C33 H33B 0.9700 .
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_4
N2 Al1 N1 C1 -1.54(9) .
C30 Al1 N1 C1 -117.94(9) .
C29 Al1 N1 C1 108.57(10) .
N2 Al1 N1 C7 176.78(11) .
C30 Al1 N1 C7 60.38(12) .
C29 Al1 N1 C7 -73.11(12) .
N1 Al1 N2 C6 178.60(11) .
C30 Al1 N2 C6 -67.23(12) .
C29 Al1 N2 C6 64.14(12) .
N1 Al1 N2 C2 2.94(9) .
C30 Al1 N2 C2 117.12(9) .
C29 Al1 N2 C2 -111.51(9) .
C7 N1 C1 C2 -178.67(11) .
Al1 N1 C1 C2 -0.16(14) .
C7 N1 C1 C19 1.59(19) .
Al1 N1 C1 C19 -179.91(11) .
C6 N2 C2 C3 -0.34(18) .
Al1 N2 C2 C3 175.78(10) .
C6 N2 C2 C1 -179.93(11) .
Al1 N2 C2 C1 -3.81(14) .
N1 C1 C2 N2 2.71(16) .
C19 C1 C2 N2 -177.54(12) .
N1 C1 C2 C3 -176.87(12) .
C19 C1 C2 C3 2.9(2) .
N2 C2 C3 C4 -0.4(2) .
C1 C2 C3 C4 179.16(14) .
C2 C3 C4 C5 0.5(2) .
C3 C4 C5 C6 0.2(2) .
C2 N2 C6 C5 1.00(19) .
Al1 N2 C6 C5 -174.34(11) .
C2 N2 C6 C20 -177.80(11) .
Al1 N2 C6 C20 6.85(17) .
C4 C5 C6 N2 -0.9(2) .
C4 C5 C6 C20 177.83(14) .
C1 N1 C7 C8 88.36(14) .
Al1 N1 C7 C8 -89.91(13) .
C1 N1 C7 C12 -91.51(14) .
Al1 N1 C7 C12 90.22(13) .
C12 C7 C8 C9 0.65(19) .
N1 C7 C8 C9 -179.22(12) .
C12 C7 C8 C13 179.63(12) .
N1 C7 C8 C13 -0.24(18) .
C7 C8 C9 C10 0.1(2) .
C13 C8 C9 C10 -178.94(14) .
C8 C9 C10 C11 -0.7(2) .
C9 C10 C11 C12 0.6(2) .
C10 C11 C12 C7 0.1(2) .
C10 C11 C12 C16 -179.65(14) .
C8 C7 C12 C11 -0.74(18) .
N1 C7 C12 C11 179.12(11) .
C8 C7 C12 C16 179.03(12) .
N1 C7 C12 C16 -1.11(18) .
C9 C8 C13 C15 65.95(18) .
C7 C8 C13 C15 -113.02(15) .
C9 C8 C13 C14 -57.11(17) .
C7 C8 C13 C14 123.92(14) .
C11 C12 C16 C17 62.16(17) .
C7 C12 C16 C17 -117.61(15) .
C11 C12 C16 C18 -61.06(18) .
C7 C12 C16 C18 119.17(15) .
N2 C6 C20 C21 83.38(15) .
C5 C6 C20 C21 -95.42(16) .
N2 C6 C20 C25 -99.77(14) .
C5 C6 C20 C25 81.43(17) .
C25 C20 C21 C22 1.46(18) .
C6 C20 C21 C22 178.30(11) .
C25 C20 C21 C26 -175.86(12) .
C6 C20 C21 C26 0.99(18) .
C20 C21 C22 C23 -0.81(19) .
C26 C21 C22 C23 176.54(12) .
C21 C22 C23 C24 0.03(19) .
C21 C22 C23 C27 -179.75(12) .
C22 C23 C24 C25 0.1(2) .
C27 C23 C24 C25 179.90(13) .
C23 C24 C25 C20 0.5(2) .
C23 C24 C25 C28 -178.08(13) .
C21 C20 C25 C24 -1.31(19) .
C6 C20 C25 C24 -178.13(11) .
C21 C20 C25 C28 177.28(13) .
C6 C20 C25 C28 0.46(19) .
C31 C32 C33 C33 -67.8(3) 3_354
