#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:52:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179081 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/43/4304390.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_4304390
loop_
_publ_author_name
'Ying Yang'
'Thomas Schulz'
'Michael John'
'Arne Ringe'
'Herbert W. Roesky'
'Dietmar Stalke'
'Jörg Magull'
'Hongqi Ye'
_publ_contact_author
'Prof. Dr. Dietmar Stalke; Prof. Dr. Herbert Roesky'
_publ_contact_author_email
'dstalke@chemie.uni-goettingen.de, hroesky@gwdg.de'
_publ_section_title
;
Synthesis, Characterization, and Reaction of Aluminum Halide Amides
Supported by a Bulky β-Diketiminato Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2585
_journal_page_last               2592
_journal_paper_doi               10.1021/ic701896r
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C35 H55 Al Cl N3'
_chemical_formula_weight         580.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 97.4050(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.0276(8)
_cell_length_b                   20.3125(16)
_cell_length_c                   16.7958(13)
_cell_measurement_reflns_used    9863
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.16
_cell_measurement_theta_min      2.46
_cell_volume                     3392.5(5)
_computing_cell_refinement       'SAINT V7.23A'
_computing_data_collection       'APEX2 v2.1.0'
_computing_data_reduction        'SAINT V7.23A'
_computing_molecular_graphics    'XP in SHELXTL ver. 6.12'
_computing_publication_material  'XP in SHELXTL ver. 6.12'
_computing_structure_refinement  'SHELXL in SHELXTL ver. 6.12'
_computing_structure_solution    'SHELXS in SHELXTL ver. 6.12'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Smart Apex II with D8-Goniometer'
_diffrn_measurement_method       '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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0162
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            38060
_diffrn_reflns_theta_full        25.21
_diffrn_reflns_theta_max         25.21
_diffrn_reflns_theta_min         2.64
_exptl_absorpt_coefficient_mu    0.165
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.894196
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS v2.10'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1264
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.286
_refine_diff_density_min         -0.282
_refine_diff_density_rms         0.043
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         6089
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0379
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0472P)²+1.4306P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0877
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                5390
_reflns_number_total             6089
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic701896r-file002_2.cif
_cod_data_source_block           LAl(Cl)NiPr2
_cod_database_code               4304390
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.25131(3) 0.247994(15) 1.141225(19) 0.02080(10) Uani 1 1 d . . .
Al1 Al 0.22056(4) 0.243851(18) 1.01179(2) 0.01461(10) Uani 1 1 d . . .
N1 N 0.32577(11) 0.31797(5) 0.98415(6) 0.0162(2) Uani 1 1 d . . .
N2 N 0.33613(10) 0.17744(5) 0.98003(6) 0.0158(2) Uani 1 1 d . . .
N3 N 0.04597(11) 0.23415(5) 0.97269(6) 0.0176(2) Uani 1 1 d . . .
C1 C 0.55067(14) 0.37081(7) 0.99281(9) 0.0242(3) Uani 1 1 d . . .
H1A H 0.4992 0.4077 0.9669 0.036 Uiso 1 1 calc R . .
H1B H 0.6246 0.3597 0.9623 0.036 Uiso 1 1 calc R . .
H1C H 0.5874 0.3832 1.0477 0.036 Uiso 1 1 calc R . .
C2 C 0.45970(13) 0.31192(7) 0.99527(8) 0.0182(3) Uani 1 1 d . . .
C3 C 0.52482(13) 0.25094(6) 1.00858(8) 0.0196(3) Uani 1 1 d . . .
H3 H 0.6179 0.2527 1.0284 0.023 Uiso 1 1 calc R . .
C4 C 0.46994(13) 0.18822(6) 0.99635(8) 0.0180(3) Uani 1 1 d . . .
C5 C 0.56576(13) 0.13085(7) 1.00280(9) 0.0225(3) Uani 1 1 d . . .
H5A H 0.5652 0.1093 1.0550 0.034 Uiso 1 1 calc R . .
H5B H 0.6567 0.1466 0.9979 0.034 Uiso 1 1 calc R . .
H5C H 0.5377 0.0993 0.9597 0.034 Uiso 1 1 calc R . .
C10 C 0.26641(13) 0.38215(6) 0.96443(8) 0.0176(3) Uani 1 1 d . . .
C11 C 0.26022(13) 0.43002(6) 1.02457(8) 0.0197(3) Uani 1 1 d . . .
C12 C 0.19471(14) 0.48928(7) 1.00252(9) 0.0240(3) Uani 1 1 d . . .
H12 H 0.1881 0.5220 1.0423 0.029 Uiso 1 1 calc R . .
C13 C 0.13922(15) 0.50140(7) 0.92412(9) 0.0266(3) Uani 1 1 d . . .
H13 H 0.0940 0.5418 0.9106 0.032 Uiso 1 1 calc R . .
C14 C 0.14986(14) 0.45450(7) 0.86542(8) 0.0241(3) Uani 1 1 d . . .
H14 H 0.1130 0.4636 0.8116 0.029 Uiso 1 1 calc R . .
C15 C 0.21330(13) 0.39438(7) 0.88355(8) 0.0200(3) Uani 1 1 d . . .
C20 C 0.29214(12) 0.11270(6) 0.95092(8) 0.0171(3) Uani 1 1 d . . .
C21 C 0.27650(13) 0.10120(7) 0.86713(8) 0.0192(3) Uani 1 1 d . . .
C22 C 0.22941(14) 0.03968(7) 0.83934(8) 0.0222(3) Uani 1 1 d . . .
H22 H 0.2194 0.0308 0.7834 0.027 Uiso 1 1 calc R . .
C23 C 0.19692(14) -0.00878(7) 0.89172(9) 0.0232(3) Uani 1 1 d . . .
H23 H 0.1625 -0.0499 0.8715 0.028 Uiso 1 1 calc R . .
C24 C 0.21484(13) 0.00295(7) 0.97354(8) 0.0219(3) Uani 1 1 d . . .
H24 H 0.1929 -0.0306 1.0091 0.026 Uiso 1 1 calc R . .
C25 C 0.26463(13) 0.06319(6) 1.00498(8) 0.0189(3) Uani 1 1 d . . .
C30 C -0.07137(13) 0.25450(6) 1.01171(8) 0.0197(3) Uani 1 1 d . . .
H30 H -0.1527 0.2488 0.9711 0.024 Uiso 1 1 calc R . .
C31 C -0.06393(15) 0.32728(7) 1.03443(10) 0.0301(3) Uani 1 1 d . . .
H31A H 0.0160 0.3351 1.0734 0.045 Uiso 1 1 calc R . .
H31B H -0.1446 0.3396 1.0582 0.045 Uiso 1 1 calc R . .
H31C H -0.0584 0.3539 0.9863 0.045 Uiso 1 1 calc R . .
C32 C -0.09290(14) 0.21214(8) 1.08424(8) 0.0264(3) Uani 1 1 d . . .
H32A H -0.0999 0.1658 1.0681 0.040 Uiso 1 1 calc R . .
H32B H -0.1760 0.2257 1.1046 0.040 Uiso 1 1 calc R . .
H32C H -0.0167 0.2178 1.1264 0.040 Uiso 1 1 calc R . .
C33 C 0.00862(13) 0.20524(7) 0.89257(8) 0.0241(3) Uani 1 1 d . . .
H33 H 0.0945 0.1978 0.8695 0.029 Uiso 1 1 calc R . .
C34 C -0.07664(17) 0.25103(9) 0.83440(10) 0.0411(4) Uani 1 1 d . . .
H34A H -0.1704 0.2494 0.8451 0.062 Uiso 1 1 calc R . .
H34B H -0.0715 0.2368 0.7791 0.062 Uiso 1 1 calc R . .
H34C H -0.0427 0.2962 0.8417 0.062 Uiso 1 1 calc R . .
C35 C -0.05901(15) 0.13771(8) 0.89532(10) 0.0341(4) Uani 1 1 d . . .
H35A H -0.0014 0.1084 0.9312 0.051 Uiso 1 1 calc R . .
H35B H -0.0728 0.1188 0.8412 0.051 Uiso 1 1 calc R . .
H35C H -0.1460 0.1428 0.9153 0.051 Uiso 1 1 calc R . .
C110 C 0.32362(14) 0.42177(7) 1.11198(8) 0.0215(3) Uani 1 1 d . . .
H110 H 0.3692 0.3779 1.1174 0.026 Uiso 1 1 calc R . .
C111 C 0.42964(15) 0.47529(7) 1.13645(9) 0.0285(3) Uani 1 1 d . . .
H11D H 0.4956 0.4758 1.0982 0.043 Uiso 1 1 calc R . .
H11E H 0.4753 0.4659 1.1904 0.043 Uiso 1 1 calc R . .
H11F H 0.3855 0.5183 1.1364 0.043 Uiso 1 1 calc R . .
C112 C 0.21797(15) 0.42404(7) 1.17053(9) 0.0275(3) Uani 1 1 d . . .
H11A H 0.1696 0.4660 1.1645 0.041 Uiso 1 1 calc R . .
H11B H 0.2627 0.4199 1.2257 0.041 Uiso 1 1 calc R . .
H11C H 0.1542 0.3877 1.1587 0.041 Uiso 1 1 calc R . .
C150 C 0.23020(14) 0.34470(7) 0.81739(8) 0.0234(3) Uani 1 1 d . . .
H150 H 0.2105 0.3000 0.8379 0.028 Uiso 1 1 calc R . .
C151 C 0.13484(16) 0.35640(7) 0.73956(8) 0.0293(3) Uani 1 1 d . . .
H15D H 0.0425 0.3610 0.7521 0.044 Uiso 1 1 calc R . .
H15E H 0.1398 0.3190 0.7033 0.044 Uiso 1 1 calc R . .
H15F H 0.1613 0.3967 0.7136 0.044 Uiso 1 1 calc R . .
C152 C 0.37579(16) 0.34424(8) 0.79727(9) 0.0323(4) Uani 1 1 d . . .
H15A H 0.3829 0.3134 0.7531 0.048 Uiso 1 1 calc R . .
H15B H 0.4368 0.3305 0.8447 0.048 Uiso 1 1 calc R . .
H15C H 0.4003 0.3885 0.7812 0.048 Uiso 1 1 calc R . .
C210 C 0.31193(14) 0.15301(7) 0.80733(8) 0.0216(3) Uani 1 1 d . . .
H210 H 0.3106 0.1970 0.8339 0.026 Uiso 1 1 calc R . .
C211 C 0.21104(16) 0.15513(8) 0.73055(8) 0.0287(3) Uani 1 1 d . . .
H21D H 0.2197 0.1150 0.6993 0.043 Uiso 1 1 calc R . .
H21E H 0.2295 0.1936 0.6985 0.043 Uiso 1 1 calc R . .
H21F H 0.1195 0.1581 0.7448 0.043 Uiso 1 1 calc R . .
C212 C 0.45407(15) 0.14212(8) 0.78490(9) 0.0307(3) Uani 1 1 d . . .
H21A H 0.5198 0.1455 0.8332 0.046 Uiso 1 1 calc R . .
H21B H 0.4735 0.1756 0.7460 0.046 Uiso 1 1 calc R . .
H21C H 0.4596 0.0983 0.7612 0.046 Uiso 1 1 calc R . .
C250 C 0.28898(14) 0.07191(7) 1.09596(8) 0.0205(3) Uani 1 1 d . . .
H250 H 0.3328 0.1157 1.1077 0.025 Uiso 1 1 calc R . .
C251 C 0.15636(15) 0.07119(8) 1.13235(9) 0.0290(3) Uani 1 1 d . . .
H25D H 0.0966 0.1055 1.1070 0.044 Uiso 1 1 calc R . .
H25E H 0.1746 0.0795 1.1902 0.044 Uiso 1 1 calc R . .
H25F H 0.1131 0.0281 1.1230 0.044 Uiso 1 1 calc R . .
C252 C 0.38316(15) 0.01862(7) 1.13603(9) 0.0267(3) Uani 1 1 d . . .
H25A H 0.3390 -0.0244 1.1290 0.040 Uiso 1 1 calc R . .
H25B H 0.4042 0.0283 1.1934 0.040 Uiso 1 1 calc R . .
H25C H 0.4664 0.0180 1.1112 0.040 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N3 Al1 N2 114.83(5) . . ?
N3 Al1 N1 122.28(5) . . ?
N2 Al1 N1 96.56(5) . . ?
N3 Al1 Cl1 112.21(4) . . ?
N2 Al1 Cl1 107.31(4) . . ?
N1 Al1 Cl1 101.57(4) . . ?
C2 N1 C10 119.24(11) . . ?
C2 N1 Al1 117.72(9) . . ?
C10 N1 Al1 122.29(8) . . ?
C4 N2 C20 117.74(10) . . ?
C4 N2 Al1 116.97(9) . . ?
C20 N2 Al1 124.62(8) . . ?
C33 N3 C30 113.19(10) . . ?
C33 N3 Al1 119.89(9) . . ?
C30 N3 Al1 126.89(9) . . ?
N1 C2 C3 122.75(12) . . ?
N1 C2 C1 121.56(12) . . ?
C3 C2 C1 115.68(11) . . ?
C4 C3 C2 128.07(12) . . ?
N2 C4 C3 122.75(12) . . ?
N2 C4 C5 119.79(12) . . ?
C3 C4 C5 117.46(11) . . ?
C11 C10 C15 121.38(12) . . ?
C11 C10 N1 120.67(11) . . ?
C15 C10 N1 117.94(11) . . ?
C12 C11 C10 117.82(12) . . ?
C12 C11 C110 118.09(12) . . ?
C10 C11 C110 124.07(12) . . ?
C13 C12 C11 121.52(13) . . ?
C12 C13 C14 119.77(13) . . ?
C13 C14 C15 121.50(13) . . ?
C14 C15 C10 117.95(12) . . ?
C14 C15 C150 120.73(12) . . ?
C10 C15 C150 121.27(12) . . ?
C25 C20 C21 121.22(12) . . ?
C25 C20 N2 120.46(11) . . ?
C21 C20 N2 118.32(11) . . ?
C22 C21 C20 118.03(12) . . ?
C22 C21 C210 119.64(12) . . ?
C20 C21 C210 122.32(12) . . ?
C23 C22 C21 121.38(13) . . ?
C24 C23 C22 119.79(13) . . ?
C23 C24 C25 121.33(13) . . ?
C24 C25 C20 118.17(12) . . ?
C24 C25 C250 118.86(12) . . ?
C20 C25 C250 122.96(12) . . ?
N3 C30 C31 111.46(11) . . ?
N3 C30 C32 113.46(11) . . ?
C31 C30 C32 110.68(12) . . ?
N3 C33 C34 113.40(13) . . ?
N3 C33 C35 113.00(12) . . ?
C34 C33 C35 110.52(13) . . ?
C11 C110 C112 112.02(11) . . ?
C11 C110 C111 111.45(11) . . ?
C112 C110 C111 108.51(12) . . ?
C15 C150 C151 113.70(12) . . ?
C15 C150 C152 111.16(12) . . ?
C151 C150 C152 108.54(12) . . ?
C21 C210 C211 112.83(11) . . ?
C21 C210 C212 111.32(11) . . ?
C211 C210 C212 109.28(12) . . ?
C25 C250 C251 111.27(11) . . ?
C25 C250 C252 111.55(11) . . ?
C251 C250 C252 109.56(12) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 Al1 2.1576(5) . ?
Al1 N3 1.7996(11) . ?
Al1 N2 1.8992(11) . ?
Al1 N1 1.9291(11) . ?
N1 C2 1.3375(17) . ?
N1 C10 1.4535(16) . ?
N2 C4 1.3523(17) . ?
N2 C20 1.4517(16) . ?
N3 C33 1.4718(17) . ?
N3 C30 1.4777(17) . ?
C1 C2 1.5080(18) . ?
C2 C3 1.4047(18) . ?
C3 C4 1.3925(19) . ?
C4 C5 1.5053(18) . ?
C10 C11 1.4092(19) . ?
C10 C15 1.4157(19) . ?
C11 C12 1.3983(19) . ?
C11 C110 1.5321(18) . ?
C12 C13 1.384(2) . ?
C13 C14 1.385(2) . ?
C14 C15 1.3923(19) . ?
C15 C150 1.5266(19) . ?
C20 C25 1.4059(19) . ?
C20 C21 1.4153(18) . ?
C21 C22 1.3947(19) . ?
C21 C210 1.5280(18) . ?
C22 C23 1.387(2) . ?
C23 C24 1.384(2) . ?
C24 C25 1.3989(19) . ?
C25 C250 1.5263(19) . ?
C30 C31 1.5261(19) . ?
C30 C32 1.5294(19) . ?
C33 C34 1.528(2) . ?
C33 C35 1.534(2) . ?
C110 C112 1.536(2) . ?
C110 C111 1.5389(19) . ?
C150 C151 1.5355(19) . ?
C150 C152 1.540(2) . ?
C210 C211 1.5336(19) . ?
C210 C212 1.5365(19) . ?
C250 C251 1.5336(19) . ?
C250 C252 1.5339(19) . ?
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N3 Al1 N1 C2 -160.29(9) . . . . ?
N2 Al1 N1 C2 -35.36(10) . . . . ?
Cl1 Al1 N1 C2 73.87(9) . . . . ?
N3 Al1 N1 C10 29.70(12) . . . . ?
N2 Al1 N1 C10 154.63(9) . . . . ?
Cl1 Al1 N1 C10 -96.15(9) . . . . ?
N3 Al1 N2 C4 169.16(9) . . . . ?
N1 Al1 N2 C4 38.95(10) . . . . ?
Cl1 Al1 N2 C4 -65.36(9) . . . . ?
N3 Al1 N2 C20 -20.48(12) . . . . ?
N1 Al1 N2 C20 -150.69(10) . . . . ?
Cl1 Al1 N2 C20 105.00(10) . . . . ?
N2 Al1 N3 C33 -33.40(12) . . . . ?
N1 Al1 N3 C33 82.78(11) . . . . ?
Cl1 Al1 N3 C33 -156.29(9) . . . . ?
N2 Al1 N3 C30 148.79(10) . . . . ?
N1 Al1 N3 C30 -95.03(11) . . . . ?
Cl1 Al1 N3 C30 25.90(12) . . . . ?
C10 N1 C2 C3 -175.15(12) . . . . ?
Al1 N1 C2 C3 14.52(17) . . . . ?
C10 N1 C2 C1 3.77(18) . . . . ?
Al1 N1 C2 C1 -166.56(10) . . . . ?
N1 C2 C3 C4 14.6(2) . . . . ?
C1 C2 C3 C4 -164.39(13) . . . . ?
C20 N2 C4 C3 166.51(12) . . . . ?
Al1 N2 C4 C3 -22.44(16) . . . . ?
C20 N2 C4 C5 -14.18(17) . . . . ?
Al1 N2 C4 C5 156.86(10) . . . . ?
C2 C3 C4 N2 -10.1(2) . . . . ?
C2 C3 C4 C5 170.54(13) . . . . ?
C2 N1 C10 C11 -78.49(16) . . . . ?
Al1 N1 C10 C11 91.38(13) . . . . ?
C2 N1 C10 C15 102.59(14) . . . . ?
Al1 N1 C10 C15 -87.54(13) . . . . ?
C15 C10 C11 C12 2.62(19) . . . . ?
N1 C10 C11 C12 -176.25(12) . . . . ?
C15 C10 C11 C110 -175.86(12) . . . . ?
N1 C10 C11 C110 5.27(19) . . . . ?
C10 C11 C12 C13 -1.0(2) . . . . ?
C110 C11 C12 C13 177.62(13) . . . . ?
C11 C12 C13 C14 -0.9(2) . . . . ?
C12 C13 C14 C15 1.2(2) . . . . ?
C13 C14 C15 C10 0.4(2) . . . . ?
C13 C14 C15 C150 -176.94(13) . . . . ?
C11 C10 C15 C14 -2.36(19) . . . . ?
N1 C10 C15 C14 176.55(12) . . . . ?
C11 C10 C15 C150 174.97(12) . . . . ?
N1 C10 C15 C150 -6.12(18) . . . . ?
C4 N2 C20 C25 91.59(15) . . . . ?
Al1 N2 C20 C25 -78.71(14) . . . . ?
C4 N2 C20 C21 -89.07(14) . . . . ?
Al1 N2 C20 C21 100.63(12) . . . . ?
C25 C20 C21 C22 1.68(19) . . . . ?
N2 C20 C21 C22 -177.65(11) . . . . ?
C25 C20 C21 C210 -177.07(12) . . . . ?
N2 C20 C21 C210 3.60(18) . . . . ?
C20 C21 C22 C23 0.8(2) . . . . ?
C210 C21 C22 C23 179.62(12) . . . . ?
C21 C22 C23 C24 -1.9(2) . . . . ?
C22 C23 C24 C25 0.4(2) . . . . ?
C23 C24 C25 C20 2.0(2) . . . . ?
C23 C24 C25 C250 -176.89(12) . . . . ?
C21 C20 C25 C24 -3.09(19) . . . . ?
N2 C20 C25 C24 176.23(11) . . . . ?
C21 C20 C25 C250 175.80(12) . . . . ?
N2 C20 C25 C250 -4.88(19) . . . . ?
C33 N3 C30 C31 -123.29(13) . . . . ?
Al1 N3 C30 C31 54.64(15) . . . . ?
C33 N3 C30 C32 110.96(13) . . . . ?
Al1 N3 C30 C32 -71.11(14) . . . . ?
C30 N3 C33 C34 57.36(16) . . . . ?
Al1 N3 C33 C34 -120.73(12) . . . . ?
C30 N3 C33 C35 -69.42(15) . . . . ?
Al1 N3 C33 C35 112.49(11) . . . . ?
C12 C11 C110 C112 62.95(16) . . . . ?
C10 C11 C110 C112 -118.58(14) . . . . ?
C12 C11 C110 C111 -58.84(16) . . . . ?
C10 C11 C110 C111 119.64(14) . . . . ?
C14 C15 C150 C151 -18.98(19) . . . . ?
C10 C15 C150 C151 163.77(12) . . . . ?
C14 C15 C150 C152 103.86(15) . . . . ?
C10 C15 C150 C152 -73.39(16) . . . . ?
C22 C21 C210 C211 40.81(17) . . . . ?
C20 C21 C210 C211 -140.46(13) . . . . ?
C22 C21 C210 C212 -82.47(15) . . . . ?
C20 C21 C210 C212 96.26(15) . . . . ?
C24 C25 C250 C251 -67.01(16) . . . . ?
C20 C25 C250 C251 114.10(14) . . . . ?
C24 C25 C250 C252 55.67(16) . . . . ?
C20 C25 C250 C252 -123.21(14) . . . . ?
