#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:08:49 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178618 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/29/4072901.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_4072901
loop_
_publ_author_name
'Zhao, Jian'
'Song, Haibin'
'Cui, Chunming'
_publ_section_title
;
 Synthesis and Reactions of Aluminum Sulfonamide Alkyls and Hydride
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1947
_journal_paper_doi               10.1021/om0611296
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C46 H74 Al2 N2 O6 S2'
_chemical_formula_weight         869.15
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                96.918(2)
_cell_angle_beta                 99.860(2)
_cell_angle_gamma                107.204(2)
_cell_formula_units_Z            1
_cell_length_a                   10.5056(15)
_cell_length_b                   10.8810(15)
_cell_length_c                   12.6463(18)
_cell_measurement_reflns_used    1958
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.55
_cell_measurement_theta_min      2.35
_cell_volume                     1337.9(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_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  0.0192
_diffrn_reflns_av_sigmaI/netI    0.0413
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7322
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.66
_exptl_absorpt_coefficient_mu    0.174
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.770488
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.079
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             470
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.031
_refine_diff_density_min         -0.509
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         4661
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.1007
_refine_ls_R_factor_gt           0.0753
_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)+(0.1837P)²+0.5876P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2461
_refine_ls_wR_factor_ref         0.2742
_reflns_number_gt                3322
_reflns_number_total             4661
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0611296si20061214_042351.cif
_cod_data_source_block           50826d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'NONE' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4072901
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.64661(12) 1.17171(12) -0.01579(9) 0.0391(4) Uani 1 1 d . . .
S1 S 0.62219(10) 1.00693(10) 0.17152(7) 0.0378(3) Uani 1 1 d . . .
O1 O 0.6333(3) 1.0317(3) 0.0603(2) 0.0423(7) Uani 1 1 d . . .
O2 O 0.6625(3) 1.1186(3) 0.2558(2) 0.0502(8) Uani 1 1 d . . .
N1 N 0.4690(3) 0.9178(3) 0.1577(2) 0.0368(8) Uani 1 1 d . . .
H1 H 0.4184 0.8786 0.0947 0.044 Uiso 1 1 calc R . .
C1 C 0.7373(4) 0.9205(4) 0.2013(3) 0.0423(10) Uani 1 1 d . . .
C2 C 0.8064(5) 0.9359(5) 0.3070(4) 0.0613(13) Uani 1 1 d . . .
H2 H 0.7960 0.9946 0.3620 0.074 Uiso 1 1 calc R . .
C3 C 0.8920(6) 0.8624(6) 0.3303(4) 0.0718(15) Uani 1 1 d . . .
H3 H 0.9376 0.8718 0.4021 0.086 Uiso 1 1 calc R . .
C4 C 0.9117(5) 0.7766(5) 0.2512(4) 0.0589(13) Uani 1 1 d . . .
C5 C 0.8447(5) 0.7665(5) 0.1455(4) 0.0605(13) Uani 1 1 d . . .
H5 H 0.8580 0.7104 0.0901 0.073 Uiso 1 1 calc R . .
C6 C 0.7585(5) 0.8373(5) 0.1195(4) 0.0533(11) Uani 1 1 d . . .
H6 H 0.7147 0.8293 0.0473 0.064 Uiso 1 1 calc R . .
C7 C 1.0020(6) 0.6951(7) 0.2779(6) 0.0857(19) Uani 1 1 d . . .
H7A H 0.9615 0.6092 0.2339 0.129 Uiso 1 1 calc R . .
H7B H 1.0123 0.6884 0.3536 0.129 Uiso 1 1 calc R . .
H7C H 1.0900 0.7356 0.2630 0.129 Uiso 1 1 calc R . .
C8 C 0.4184(4) 0.9056(4) 0.2575(3) 0.0380(9) Uani 1 1 d . . .
C9 C 0.3671(4) 1.0006(4) 0.3008(3) 0.0442(10) Uani 1 1 d . . .
C10 C 0.3234(5) 0.9876(5) 0.3984(4) 0.0573(12) Uani 1 1 d . . .
H10 H 0.2900 1.0503 0.4293 0.069 Uiso 1 1 calc R . .
C11 C 0.3283(5) 0.8865(5) 0.4487(4) 0.0597(13) Uani 1 1 d . . .
H11 H 0.3008 0.8813 0.5146 0.072 Uiso 1 1 calc R . .
C12 C 0.3738(5) 0.7912(5) 0.4034(4) 0.0531(11) Uani 1 1 d . . .
H12 H 0.3743 0.7210 0.4385 0.064 Uiso 1 1 calc R . .
C13 C 0.4187(4) 0.7961(4) 0.3075(3) 0.0439(10) Uani 1 1 d . . .
C14 C 0.3521(5) 1.1135(5) 0.2464(4) 0.0550(12) Uani 1 1 d . . .
H14 H 0.3888 1.1078 0.1805 0.066 Uiso 1 1 calc R . .
C15 C 0.4343(7) 1.2468(5) 0.3175(5) 0.0756(16) Uani 1 1 d . . .
H15A H 0.4022 1.2552 0.3838 0.113 Uiso 1 1 calc R . .
H15B H 0.4230 1.3148 0.2787 0.113 Uiso 1 1 calc R . .
H15C H 0.5291 1.2540 0.3346 0.113 Uiso 1 1 calc R . .
C16 C 0.2030(7) 1.1044(7) 0.2102(6) 0.091(2) Uani 1 1 d . . .
H16A H 0.1545 1.0237 0.1602 0.137 Uiso 1 1 calc R . .
H16B H 0.1978 1.1766 0.1749 0.137 Uiso 1 1 calc R . .
H16C H 0.1628 1.1071 0.2728 0.137 Uiso 1 1 calc R . .
C17 C 0.4599(5) 0.6830(4) 0.2590(4) 0.0509(11) Uani 1 1 d . . .
H17 H 0.5079 0.7105 0.2015 0.061 Uiso 1 1 calc R . .
C18 C 0.3324(6) 0.5669(5) 0.2069(5) 0.0795(17) Uani 1 1 d . . .
H18A H 0.2806 0.5421 0.2609 0.119 Uiso 1 1 calc R . .
H18B H 0.3586 0.4946 0.1778 0.119 Uiso 1 1 calc R . .
H18C H 0.2778 0.5908 0.1490 0.119 Uiso 1 1 calc R . .
C19 C 0.5547(6) 0.6433(6) 0.3427(5) 0.0728(15) Uani 1 1 d . . .
H19A H 0.6312 0.7187 0.3788 0.109 Uiso 1 1 calc R . .
H19B H 0.5867 0.5791 0.3068 0.109 Uiso 1 1 calc R . .
H19C H 0.5062 0.6069 0.3955 0.109 Uiso 1 1 calc R . .
C20 C 0.5780(5) 1.2984(4) 0.0602(4) 0.0599(13) Uani 1 1 d . . .
H20A H 0.5230 1.3286 0.0062 0.072 Uiso 1 1 calc R . .
H20B H 0.5189 1.2540 0.1045 0.072 Uiso 1 1 calc R . .
C21 C 0.6842(11) 1.4125(9) 0.1303(10) 0.183(6) Uani 1 1 d . . .
H21A H 0.6436 1.4583 0.1771 0.274 Uiso 1 1 calc R . .
H21B H 0.7281 1.4698 0.0858 0.274 Uiso 1 1 calc R . .
H21C H 0.7505 1.3842 0.1740 0.274 Uiso 1 1 calc R . .
C22 C 0.8373(5) 1.2296(5) -0.0267(4) 0.0639(14) Uani 1 1 d . . .
H22A H 0.8508 1.1681 -0.0824 0.077 Uiso 1 1 calc R . .
H22B H 0.8583 1.3140 -0.0495 0.077 Uiso 1 1 calc R . .
C23 C 0.9369(8) 1.2414(15) 0.0815(8) 0.185(6) Uani 1 1 d . . .
H23A H 1.0282 1.2879 0.0765 0.278 Uiso 1 1 calc R . .
H23B H 0.9322 1.1556 0.0955 0.278 Uiso 1 1 calc R . .
H23C H 0.9125 1.2880 0.1399 0.278 Uiso 1 1 calc R . .
O3 O 0.093(2) 0.586(3) 0.5628(19) 0.063(6) Uani 0.25 1 d P A 1
O3A O 0.148(3) 0.530(4) 0.536(3) 0.161(19) Uani 0.25 1 d P B 2
O3B O -0.010(4) 0.582(3) 0.553(2) 0.162(14) Uani 0.25 1 d P C 3
O3C O 0.106(3) 0.388(3) 0.437(2) 0.131(10) Uani 0.25 1 d P D 4
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'
S S 0.1246 0.1234 '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 N1 101.37(14) . 2_675
O1 Al1 C22 103.81(19) . .
N1 Al1 C22 109.90(19) 2_675 .
O1 Al1 C20 108.71(18) . .
N1 Al1 C20 113.41(19) 2_675 .
C22 Al1 C20 117.9(2) . .
O2 S1 O1 116.71(18) . .
O2 S1 N1 113.31(17) . .
O1 S1 N1 104.48(16) . .
O2 S1 C1 106.92(19) . .
O1 S1 C1 103.18(18) . .
N1 S1 C1 111.88(18) . .
S1 O1 Al1 137.64(19) . .
C8 N1 S1 116.5(3) . .
C8 N1 Al1 121.3(3) . 2_675
S1 N1 Al1 122.22(18) . 2_675
C8 N1 H1 121.8 . .
S1 N1 H1 121.8 . .
Al1 N1 H1 0.5 2_675 .
C2 C1 C6 119.9(4) . .
C2 C1 S1 119.5(4) . .
C6 C1 S1 120.6(3) . .
C1 C2 C3 118.9(5) . .
C1 C2 H2 120.5 . .
C3 C2 H2 120.5 . .
C4 C3 C2 122.3(5) . .
C4 C3 H3 118.9 . .
C2 C3 H3 118.9 . .
C3 C4 C5 117.5(5) . .
C3 C4 C7 121.8(5) . .
C5 C4 C7 120.7(5) . .
C4 C5 C6 121.8(5) . .
C4 C5 H5 119.1 . .
C6 C5 H5 119.1 . .
C5 C6 C1 119.5(4) . .
C5 C6 H6 120.2 . .
C1 C6 H6 120.2 . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C9 C8 C13 121.0(4) . .
C9 C8 N1 119.5(3) . .
C13 C8 N1 119.5(3) . .
C10 C9 C8 117.7(4) . .
C10 C9 C14 118.5(4) . .
C8 C9 C14 123.8(4) . .
C11 C10 C9 121.6(4) . .
C11 C10 H10 119.2 . .
C9 C10 H10 119.2 . .
C10 C11 C12 120.3(4) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C13 122.1(4) . .
C11 C12 H12 119.0 . .
C13 C12 H12 119.0 . .
C12 C13 C8 117.3(4) . .
C12 C13 C17 119.0(4) . .
C8 C13 C17 123.7(4) . .
C9 C14 C16 112.1(5) . .
C9 C14 C15 112.8(4) . .
C16 C14 C15 110.3(5) . .
C9 C14 H14 107.1 . .
C16 C14 H14 107.1 . .
C15 C14 H14 107.1 . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16A 109.5 . .
C14 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C14 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C13 C17 C19 112.5(4) . .
C13 C17 C18 109.5(4) . .
C19 C17 C18 110.3(4) . .
C13 C17 H17 108.1 . .
C19 C17 H17 108.1 . .
C18 C17 H17 108.1 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 Al1 114.8(5) . .
C21 C20 H20A 108.6 . .
Al1 C20 H20A 108.6 . .
C21 C20 H20B 108.6 . .
Al1 C20 H20B 108.6 . .
H20A C20 H20B 107.6 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C23 C22 Al1 113.0(4) . .
C23 C22 H22A 109.0 . .
Al1 C22 H22A 109.0 . .
C23 C22 H22B 109.0 . .
Al1 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O1 1.882(3) .
Al1 N1 1.944(3) 2_675
Al1 C22 1.949(5) .
Al1 C20 1.962(5) .
S1 O2 1.422(3) .
S1 O1 1.480(3) .
S1 N1 1.581(3) .
S1 C1 1.759(4) .
N1 C8 1.456(5) .
N1 Al1 1.944(3) 2_675
N1 H1 0.8600 .
C1 C2 1.371(6) .
C1 C6 1.382(6) .
C2 C3 1.388(7) .
C2 H2 0.9300 .
C3 C4 1.369(8) .
C3 H3 0.9300 .
C4 C5 1.375(7) .
C4 C7 1.504(7) .
C5 C6 1.376(6) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C8 C9 1.398(6) .
C8 C13 1.415(6) .
C9 C10 1.396(6) .
C9 C14 1.512(6) .
C10 C11 1.346(7) .
C10 H10 0.9300 .
C11 C12 1.369(7) .
C11 H11 0.9300 .
C12 C13 1.376(6) .
C12 H12 0.9300 .
C13 C17 1.517(6) .
C14 C16 1.525(8) .
C14 C15 1.528(7) .
C14 H14 0.9800 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C17 C19 1.518(7) .
C17 C18 1.523(7) .
C17 H17 0.9800 .
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 1.466(9) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 C23 1.540(8) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
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 S1 O1 Al1 -19.2(3) . .
N1 S1 O1 Al1 106.8(3) . .
C1 S1 O1 Al1 -136.1(3) . .
N1 Al1 O1 S1 -140.5(3) 2_675 .
C22 Al1 O1 S1 105.5(3) . .
C20 Al1 O1 S1 -20.8(3) . .
O2 S1 N1 C8 -36.5(3) . .
O1 S1 N1 C8 -164.5(3) . .
C1 S1 N1 C8 84.5(3) . .
O2 S1 N1 Al1 143.7(2) . 2_675
O1 S1 N1 Al1 15.6(3) . 2_675
C1 S1 N1 Al1 -95.3(2) . 2_675
O2 S1 C1 C2 23.8(4) . .
O1 S1 C1 C2 147.4(4) . .
N1 S1 C1 C2 -100.8(4) . .
O2 S1 C1 C6 -156.3(4) . .
O1 S1 C1 C6 -32.7(4) . .
N1 S1 C1 C6 79.1(4) . .
C6 C1 C2 C3 -3.0(8) . .
S1 C1 C2 C3 176.9(4) . .
C1 C2 C3 C4 1.1(9) . .
C2 C3 C4 C5 1.1(8) . .
C2 C3 C4 C7 -178.5(5) . .
C3 C4 C5 C6 -1.4(8) . .
C7 C4 C5 C6 178.1(5) . .
C4 C5 C6 C1 -0.4(8) . .
C2 C1 C6 C5 2.6(7) . .
S1 C1 C6 C5 -177.3(4) . .
S1 N1 C8 C9 84.8(4) . .
Al1 N1 C8 C9 -95.4(4) 2_675 .
S1 N1 C8 C13 -96.8(4) . .
Al1 N1 C8 C13 83.1(4) 2_675 .
C13 C8 C9 C10 3.5(6) . .
N1 C8 C9 C10 -178.1(4) . .
C13 C8 C9 C14 -174.4(4) . .
N1 C8 C9 C14 4.0(6) . .
C8 C9 C10 C11 -0.9(7) . .
C14 C9 C10 C11 177.2(5) . .
C9 C10 C11 C12 -1.7(8) . .
C10 C11 C12 C13 1.6(8) . .
C11 C12 C13 C8 1.0(7) . .
C11 C12 C13 C17 -176.5(5) . .
C9 C8 C13 C12 -3.6(6) . .
N1 C8 C13 C12 178.0(4) . .
C9 C8 C13 C17 173.8(4) . .
N1 C8 C13 C17 -4.6(6) . .
C10 C9 C14 C16 -63.6(6) . .
C8 C9 C14 C16 114.4(5) . .
C10 C9 C14 C15 61.6(6) . .
C8 C9 C14 C15 -120.4(5) . .
C12 C13 C17 C19 -48.1(6) . .
C8 C13 C17 C19 134.6(5) . .
C12 C13 C17 C18 75.0(5) . .
C8 C13 C17 C18 -102.3(5) . .
O1 Al1 C20 C21 100.0(7) . .
N1 Al1 C20 C21 -148.0(7) 2_675 .
C22 Al1 C20 C21 -17.6(7) . .
O1 Al1 C22 C23 -45.4(7) . .
N1 Al1 C22 C23 -153.2(7) 2_675 .
C20 Al1 C22 C23 74.8(8) . .
