#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:50:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179131 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/93/4309373.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_4309373
loop_
_publ_author_name
'Andrew J. Mountford'
'Simon J. Lancaster'
'Simon J. Coles'
'Peter N. Horton'
'David L. Hughes'
'Michael B. Hursthouse'
'Mark E. Light'
_publ_section_title
;
Intra- and Intermolecular N-H...F-C Hydrogen-Bonding Interactions in
Amine Adducts of Tris(pentafluorophenyl)borane and -alane
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5921
_journal_page_last               5933
_journal_paper_doi               10.1021/ic050663n
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C22 H11 Al F15 N'
_chemical_formula_structural     (C6F5)3Al-NH2tBu
_chemical_formula_sum            'C22 H11 Al F15 N'
_chemical_formula_weight         601.30
_chemical_name_common            'Compound 2b'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 102.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.451(4)
_cell_length_b                   12.842(3)
_cell_length_c                   19.911(4)
_cell_measurement_temperature    140(1)
_cell_volume                     4607.3(18)
_computing_cell_refinement       'DENZO/CELL (Otwinowski and Minor, 1985)'
_computing_data_collection       'MSC R-Axis-II control software'
_computing_data_reduction
'DENZO, SCALEPACK (Otwinowski and Minor, 1985)'
_computing_molecular_graphics    'ORTEP (Johnson, 1971)'
_computing_publication_material  'SHELXL (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS (Sheldrick, 1997)'
_diffrn_ambient_temperature      140(1)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device       'Rigaku R-Axis-IIc'
_diffrn_measurement_method       'image-plate oscillation photos'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0686
_diffrn_reflns_av_sigmaI/netI    0.0560
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            12980
_diffrn_reflns_theta_full        25.40
_diffrn_reflns_theta_max         25.40
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.222
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'clear, colourless,'
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             2384
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.234
_refine_diff_density_min         -0.316
_refine_diff_density_rms         0.051
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4213
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0582P)²+1.3053P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1175
_reflns_number_gt                3514
_reflns_number_total             4213
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ic050663nsi20050429_025944_08.cif
_cod_data_source_block           simonl10
_cod_original_cell_volume        4607.3(16)
_cod_database_code               4309373
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al Al 0.18543(3) 0.47925(4) 0.55589(3) 0.03560(16) Uani 1 1 d . . .
C11 C 0.16077(10) 0.61594(15) 0.59444(9) 0.0377(4) Uani 1 1 d . . .
C12 C 0.19084(11) 0.64673(16) 0.66157(9) 0.0426(4) Uani 1 1 d . . .
F12 F 0.24200(7) 0.58366(10) 0.70263(6) 0.0579(4) Uani 1 1 d . . .
C13 C 0.17239(11) 0.73732(16) 0.69127(9) 0.0449(5) Uani 1 1 d . . .
F13 F 0.20366(7) 0.76182(11) 0.75736(6) 0.0608(4) Uani 1 1 d . . .
C14 C 0.12029(11) 0.80291(15) 0.65322(10) 0.0431(4) Uani 1 1 d . . .
F14 F 0.10122(7) 0.89160(10) 0.68105(6) 0.0576(3) Uani 1 1 d . . .
C15 C 0.08765(11) 0.77686(15) 0.58600(10) 0.0408(4) Uani 1 1 d . . .
F15 F 0.03562(7) 0.83995(9) 0.54833(6) 0.0524(3) Uani 1 1 d . . .
C16 C 0.10830(10) 0.68499(14) 0.55896(9) 0.0377(4) Uani 1 1 d . . .
F16 F 0.07310(7) 0.66255(9) 0.49324(5) 0.0481(3) Uani 1 1 d . . .
C21 C 0.16420(10) 0.47341(14) 0.45322(9) 0.0379(4) Uani 1 1 d . . .
C22 C 0.17868(11) 0.55655(15) 0.41302(10) 0.0406(4) Uani 1 1 d . . .
F22 F 0.21617(7) 0.64116(9) 0.44459(6) 0.0511(3) Uani 1 1 d . . .
C23 C 0.15719(12) 0.56001(16) 0.34247(10) 0.0451(5) Uani 1 1 d . . .
F23 F 0.17272(8) 0.64326(10) 0.30648(6) 0.0588(3) Uani 1 1 d . . .
C24 C 0.11796(13) 0.47765(16) 0.30840(9) 0.0473(5) Uani 1 1 d . . .
F24 F 0.09403(9) 0.47954(11) 0.23952(6) 0.0647(4) Uani 1 1 d . . .
C25 C 0.10223(12) 0.39205(16) 0.34481(10) 0.0468(5) Uani 1 1 d . . .
F25 F 0.06459(9) 0.31067(10) 0.31170(6) 0.0656(4) Uani 1 1 d . . .
C26 C 0.12598(12) 0.39229(15) 0.41574(9) 0.0413(4) Uani 1 1 d . . .
F26 F 0.10986(8) 0.30445(9) 0.44823(6) 0.0549(3) Uani 1 1 d . . .
C31 C 0.13898(10) 0.36091(14) 0.59758(8) 0.0353(4) Uani 1 1 d . . .
C32 C 0.07288(10) 0.37211(14) 0.61994(9) 0.0371(4) Uani 1 1 d . . .
F32 F 0.03399(6) 0.46270(9) 0.60723(5) 0.0444(3) Uani 1 1 d . . .
C33 C 0.04330(10) 0.29551(16) 0.65507(9) 0.0405(4) Uani 1 1 d . . .
F33 F -0.02059(6) 0.31099(10) 0.67594(6) 0.0542(3) Uani 1 1 d . . .
C34 C 0.08025(11) 0.20171(15) 0.66852(9) 0.0417(4) Uani 1 1 d . . .
F34 F 0.05371(7) 0.12667(9) 0.70440(6) 0.0550(3) Uani 1 1 d . . .
C35 C 0.14454(11) 0.18390(14) 0.64510(9) 0.0391(4) Uani 1 1 d . . .
F35 F 0.17963(7) 0.09123(8) 0.65601(6) 0.0492(3) Uani 1 1 d . . .
C36 C 0.17130(10) 0.26334(15) 0.61051(9) 0.0369(4) Uani 1 1 d . . .
F36 F 0.23465(6) 0.24109(8) 0.58734(6) 0.0456(3) Uani 1 1 d . . .
N4 N 0.29155(9) 0.45155(13) 0.59973(8) 0.0399(4) Uani 1 1 d . . .
H4A H 0.2948 0.4624 0.6449 0.048 Uiso 1 1 calc R . .
H4B H 0.2974 0.3826 0.5950 0.048 Uiso 1 1 calc R . .
C41 C 0.36181(10) 0.50070(15) 0.58434(10) 0.0408(4) Uani 1 1 d . . .
C42 C 0.35576(12) 0.61937(16) 0.58901(11) 0.0502(5) Uani 1 1 d . . .
H42A H 0.3144 0.6434 0.5546 0.075 Uiso 1 1 calc R . .
H42B H 0.4005 0.6509 0.5815 0.075 Uiso 1 1 calc R . .
H42C H 0.3486 0.6382 0.6338 0.075 Uiso 1 1 calc R . .
C43 C 0.36744(12) 0.46612(17) 0.51220(10) 0.0482(5) Uani 1 1 d . . .
H43A H 0.3713 0.3916 0.5110 0.072 Uiso 1 1 calc R . .
H43B H 0.4106 0.4968 0.5007 0.072 Uiso 1 1 calc R . .
H43C H 0.3239 0.4882 0.4796 0.072 Uiso 1 1 calc R . .
C44 C 0.42735(11) 0.45968(17) 0.63800(11) 0.0491(5) Uani 1 1 d . . .
H44A H 0.4299 0.3853 0.6342 0.074 Uiso 1 1 calc R . .
H44B H 0.4210 0.4779 0.6831 0.074 Uiso 1 1 calc R . .
H44C H 0.4725 0.4900 0.6304 0.074 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'
F F 0.0171 0.0103 '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
_geom_angle_publ_flag
N4 Al C21 113.48(8) . . ?
N4 Al C11 105.69(8) . . ?
C21 Al C11 114.42(8) . . ?
N4 Al C31 98.62(7) . . ?
C21 Al C31 112.77(8) . . ?
C11 Al C31 110.57(8) . . ?
C16 C11 C12 113.44(17) . . ?
C16 C11 Al 123.68(14) . . ?
C12 C11 Al 122.70(14) . . ?
F12 C12 C13 116.33(16) . . ?
F12 C12 C11 119.08(17) . . ?
C13 C12 C11 124.59(18) . . ?
F13 C13 C14 119.57(17) . . ?
F13 C13 C12 121.26(18) . . ?
C14 C13 C12 119.16(17) . . ?
F14 C14 C13 120.31(17) . . ?
F14 C14 C15 120.28(18) . . ?
C13 C14 C15 119.41(17) . . ?
F15 C15 C16 121.12(17) . . ?
F15 C15 C14 120.00(17) . . ?
C16 C15 C14 118.87(18) . . ?
F16 C16 C15 116.12(16) . . ?
F16 C16 C11 119.36(16) . . ?
C15 C16 C11 124.52(17) . . ?
C26 C21 C22 113.93(17) . . ?
C26 C21 Al 123.03(13) . . ?
C22 C21 Al 122.61(14) . . ?
F22 C22 C23 116.75(16) . . ?
F22 C22 C21 119.05(16) . . ?
C23 C22 C21 124.20(18) . . ?
F23 C23 C24 119.74(17) . . ?
F23 C23 C22 121.29(19) . . ?
C24 C23 C22 118.96(17) . . ?
F24 C24 C23 120.70(18) . . ?
F24 C24 C25 119.24(19) . . ?
C23 C24 C25 120.06(17) . . ?
F25 C25 C24 120.36(17) . . ?
F25 C25 C26 121.16(18) . . ?
C24 C25 C26 118.48(19) . . ?
F26 C26 C21 120.32(16) . . ?
F26 C26 C25 115.33(17) . . ?
C21 C26 C25 124.35(18) . . ?
C36 C31 C32 113.88(16) . . ?
C36 C31 Al 123.70(13) . . ?
C32 C31 Al 122.31(14) . . ?
F32 C32 C33 116.84(16) . . ?
F32 C32 C31 119.43(16) . . ?
C33 C32 C31 123.73(17) . . ?
F33 C33 C34 119.81(17) . . ?
F33 C33 C32 121.15(18) . . ?
C34 C33 C32 119.04(17) . . ?
F34 C34 C33 120.26(17) . . ?
F34 C34 C35 119.62(18) . . ?
C33 C34 C35 120.12(17) . . ?
F35 C35 C36 121.43(17) . . ?
F35 C35 C34 120.51(16) . . ?
C36 C35 C34 118.07(17) . . ?
F36 C36 C35 115.76(16) . . ?
F36 C36 C31 119.17(16) . . ?
C35 C36 C31 125.06(17) . . ?
C41 N4 Al 129.19(12) . . ?
C41 N4 H4A 105.0 . . ?
Al N4 H4A 105.0 . . ?
C41 N4 H4B 105.0 . . ?
Al N4 H4B 105.0 . . ?
H4A N4 H4B 105.8 . . ?
C44 C41 C43 110.74(17) . . ?
C44 C41 N4 107.18(16) . . ?
C43 C41 N4 107.46(16) . . ?
C44 C41 C42 110.99(17) . . ?
C43 C41 C42 111.50(17) . . ?
N4 C41 C42 108.79(15) . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
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
Al N4 1.9965(18) . ?
Al C21 1.9984(19) . ?
Al C11 2.007(2) . ?
Al C31 2.0099(19) . ?
C11 C16 1.389(3) . ?
C11 C12 1.390(3) . ?
C12 F12 1.372(2) . ?
C12 C13 1.380(3) . ?
C13 F13 1.355(2) . ?
C13 C14 1.376(3) . ?
C14 F14 1.346(2) . ?
C14 C15 1.385(3) . ?
C15 F15 1.353(2) . ?
C15 C16 1.384(3) . ?
C16 F16 1.361(2) . ?
C21 C26 1.383(3) . ?
C21 C22 1.394(3) . ?
C22 F22 1.366(2) . ?
C22 C23 1.376(3) . ?
C23 F23 1.352(2) . ?
C23 C24 1.375(3) . ?
C24 F24 1.347(2) . ?
C24 C25 1.382(3) . ?
C25 F25 1.346(2) . ?
C25 C26 1.386(3) . ?
C26 F26 1.365(2) . ?
C31 C36 1.388(3) . ?
C31 C32 1.393(3) . ?
C32 F32 1.362(2) . ?
C32 C33 1.385(3) . ?
C33 F33 1.346(2) . ?
C33 C34 1.382(3) . ?
C34 F34 1.352(2) . ?
C34 C35 1.384(3) . ?
C35 F35 1.350(2) . ?
C35 C36 1.380(3) . ?
C36 F36 1.376(2) . ?
N4 C41 1.531(2) . ?
N4 H4A 0.9000 . ?
N4 H4B 0.9000 . ?
C41 C44 1.525(3) . ?
C41 C43 1.528(3) . ?
C41 C42 1.532(3) . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Al C11 C16 150.45(15) . . . . ?
C21 Al C11 C16 24.86(19) . . . . ?
C31 Al C11 C16 -103.78(16) . . . . ?
N4 Al C11 C12 -34.61(18) . . . . ?
C21 Al C11 C12 -160.21(15) . . . . ?
C31 Al C11 C12 71.16(18) . . . . ?
C16 C11 C12 F12 178.34(17) . . . . ?
Al C11 C12 F12 2.9(3) . . . . ?
C16 C11 C12 C13 -0.9(3) . . . . ?
Al C11 C12 C13 -176.34(16) . . . . ?
F12 C12 C13 F13 0.2(3) . . . . ?
C11 C12 C13 F13 179.45(18) . . . . ?
F12 C12 C13 C14 -178.72(18) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
F13 C13 C14 F14 1.0(3) . . . . ?
C12 C13 C14 F14 179.85(18) . . . . ?
F13 C13 C14 C15 -179.06(18) . . . . ?
C12 C13 C14 C15 -0.2(3) . . . . ?
F14 C14 C15 F15 -0.9(3) . . . . ?
C13 C14 C15 F15 179.10(17) . . . . ?
F14 C14 C15 C16 -179.81(17) . . . . ?
C13 C14 C15 C16 0.2(3) . . . . ?
F15 C15 C16 F16 -0.3(3) . . . . ?
C14 C15 C16 F16 178.57(17) . . . . ?
F15 C15 C16 C11 -179.54(17) . . . . ?
C14 C15 C16 C11 -0.7(3) . . . . ?
C12 C11 C16 F16 -178.23(16) . . . . ?
Al C11 C16 F16 -2.9(2) . . . . ?
C12 C11 C16 C15 1.0(3) . . . . ?
Al C11 C16 C15 176.33(15) . . . . ?
N4 Al C21 C26 106.83(17) . . . . ?
C11 Al C21 C26 -131.77(16) . . . . ?
C31 Al C21 C26 -4.25(19) . . . . ?
N4 Al C21 C22 -81.19(17) . . . . ?
C11 Al C21 C22 40.21(18) . . . . ?
C31 Al C21 C22 167.73(15) . . . . ?
C26 C21 C22 F22 179.99(17) . . . . ?
Al C21 C22 F22 7.3(3) . . . . ?
C26 C21 C22 C23 0.4(3) . . . . ?
Al C21 C22 C23 -172.27(15) . . . . ?
F22 C22 C23 F23 0.1(3) . . . . ?
C21 C22 C23 F23 179.73(17) . . . . ?
F22 C22 C23 C24 -178.68(18) . . . . ?
C21 C22 C23 C24 1.0(3) . . . . ?
F23 C23 C24 F24 -0.8(3) . . . . ?
C22 C23 C24 F24 178.01(18) . . . . ?
F23 C23 C24 C25 179.64(19) . . . . ?
C22 C23 C24 C25 -1.6(3) . . . . ?
F24 C24 C25 F25 1.2(3) . . . . ?
C23 C24 C25 F25 -179.24(19) . . . . ?
F24 C24 C25 C26 -178.74(18) . . . . ?
C23 C24 C25 C26 0.8(3) . . . . ?
C22 C21 C26 F26 178.12(17) . . . . ?
Al C21 C26 F26 -9.3(3) . . . . ?
C22 C21 C26 C25 -1.1(3) . . . . ?
Al C21 C26 C25 171.46(16) . . . . ?
F25 C25 C26 F26 1.4(3) . . . . ?
C24 C25 C26 F26 -178.72(18) . . . . ?
F25 C25 C26 C21 -179.34(19) . . . . ?
C24 C25 C26 C21 0.6(3) . . . . ?
N4 Al C31 C36 -35.81(16) . . . . ?
C21 Al C31 C36 84.23(17) . . . . ?
C11 Al C31 C36 -146.24(15) . . . . ?
N4 Al C31 C32 140.23(14) . . . . ?
C21 Al C31 C32 -99.72(15) . . . . ?
C11 Al C31 C32 29.80(17) . . . . ?
C36 C31 C32 F32 -176.86(15) . . . . ?
Al C31 C32 F32 6.7(2) . . . . ?
C36 C31 C32 C33 3.1(3) . . . . ?
Al C31 C32 C33 -173.26(14) . . . . ?
F32 C32 C33 F33 -0.5(2) . . . . ?
C31 C32 C33 F33 179.46(16) . . . . ?
F32 C32 C33 C34 179.27(15) . . . . ?
C31 C32 C33 C34 -0.7(3) . . . . ?
F33 C33 C34 F34 -2.0(3) . . . . ?
C32 C33 C34 F34 178.15(16) . . . . ?
F33 C33 C34 C35 177.71(16) . . . . ?
C32 C33 C34 C35 -2.1(3) . . . . ?
F34 C34 C35 F35 2.0(3) . . . . ?
C33 C34 C35 F35 -177.77(16) . . . . ?
F34 C34 C35 C36 -178.03(16) . . . . ?
C33 C34 C35 C36 2.2(3) . . . . ?
F35 C35 C36 F36 1.0(3) . . . . ?
C34 C35 C36 F36 -178.98(15) . . . . ?
F35 C35 C36 C31 -179.53(17) . . . . ?
C34 C35 C36 C31 0.5(3) . . . . ?
C32 C31 C36 F36 176.41(15) . . . . ?
Al C31 C36 F36 -7.2(2) . . . . ?
C32 C31 C36 C35 -3.0(3) . . . . ?
Al C31 C36 C35 173.31(14) . . . . ?
C21 Al N4 C41 50.40(17) . . . . ?
C11 Al N4 C41 -75.76(16) . . . . ?
C31 Al N4 C41 169.92(15) . . . . ?
Al N4 C41 C44 174.05(13) . . . . ?
Al N4 C41 C43 -66.9(2) . . . . ?
Al N4 C41 C42 54.0(2) . . . . ?
