##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
[μ-1-Benzyl-4-(4-tert-butylphenyl)piperazine-
κ²N:N']bis[trimethylaluminium(III)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C27 H46 Al2 N2'
_chemical_formula_sum     'C27 H46 Al2 N2'
_chemical_formula_iupac     '[Al2 (C H3)6 (C21 H28 N2)]'
_chemical_formula_weight     452.62
_chemical_melting_point     443
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     11.191(3)
_cell_length_b     12.809(3)
_cell_length_c     20.489(5)
_cell_angle_alpha     101.419(3)
_cell_angle_beta     96.138(4)
_cell_angle_gamma     90.242(4)
_cell_volume     2861.5(13)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4614
_cell_measurement_theta_min     2.47
_cell_measurement_theta_max     28.00
_cell_measurement_temperature     291(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.30
_exptl_crystal_size_mid     0.26
_exptl_crystal_size_min     0.24
_exptl_crystal_density_diffrn     1.051
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     992
_exptl_absorpt_coefficient_mu     0.117
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Bruker, 2000)'
_exptl_absorpt_correction_T_min     0.892
_exptl_absorpt_correction_T_max     0.975
_exptl_special_details
;
;
_diffrn_ambient_temperature     291(2)
_diffrn_radiation_type     'MoK\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'sealed tube'
_diffrn_radiation_monochromator     'graphite'
_diffrn_measurement_device_type     'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     15540
_diffrn_reflns_av_R_equivalents     0.0306
_diffrn_reflns_av_sigmaI/netI     0.0771
_diffrn_reflns_theta_min     1.74
_diffrn_reflns_theta_max     26.00
_diffrn_reflns_theta_full     26.00
_diffrn_measured_fraction_theta_max     0.976
_diffrn_measured_fraction_theta_full     0.976
_diffrn_reflns_limit_h_min     -7
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -15
_diffrn_reflns_limit_k_max     14
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     25
_diffrn_standards_number     3
_diffrn_standards_interval_count     150
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
loop_
    _diffrn_standard_refln_index_h
    _diffrn_standard_refln_index_k
    _diffrn_standard_refln_index_l
    ? ? ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     10970
_reflns_number_gt     7250
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0905
_refine_ls_R_factor_gt     0.0639
_refine_ls_wR_factor_gt     0.1302
_refine_ls_wR_factor_ref     0.1354
_refine_ls_goodness_of_fit_ref     1.011
_refine_ls_restrained_S_all     1.011
_refine_ls_number_reflns     10970
_refine_ls_number_parameters     577
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
           'calc w = 1/[σ²(Fo²)+(0.05P)²+1.55P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.601
_refine_diff_density_min     -0.626
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
_computing_data_collection     'SMART (Bruker, 2000)'
_computing_cell_refinement     'SMART'
_computing_data_reduction     'SAINT (Bruker, 2000)'
_computing_structure_solution     'SHELXTL (Bruker, 2000)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'SHELXTL'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Al Al1 0.64159(7) 0.89507(6) 0.14885(4) 0.03113(18) Uani d . 1 . .
    Al Al2 1.21587(7) 0.91358(6) 0.30146(4) 0.03029(18) Uani d . 1 . .
    Al Al3 0.27837(7) 0.61368(7) 0.85482(4) 0.03272(19) Uani d . 1 . .
    Al Al4 0.79296(7) 0.58930(6) 0.70435(4) 0.02890(18) Uani d . 1 . .
    C C1 0.8858(2) 0.8244(2) 0.16797(13) 0.0310(6) Uani d . 1 . .
    H H1A 0.8803 0.7846 0.1222 0.037 Uiso calc R 1 . .
    H H1B 0.8436 0.7833 0.1938 0.037 Uiso calc R 1 . .
    C C2 1.0182(2) 0.8382(2) 0.19682(12) 0.0320(6) Uani d . 1 . .
    H H2A 1.0549 0.7690 0.1924 0.038 Uiso calc R 1 . .
    H H2B 1.0606 0.8806 0.1719 0.038 Uiso calc R 1 . .
    C C3 0.9768(2) 1.0013(2) 0.26989(13) 0.0303(6) Uani d . 1 . .
    H H3A 1.0241 1.0390 0.2444 0.036 Uiso calc R 1 . .
    H H3B 0.9819 1.0421 0.3154 0.036 Uiso calc R 1 . .
    C C4 0.8461(2) 0.9936(2) 0.23917(13) 0.0335(6) Uani d . 1 . .
    H H4A 0.7982 0.9618 0.2673 0.040 Uiso calc R 1 . .
    H H4B 0.8176 1.0650 0.2391 0.040 Uiso calc R 1 . .
    C C5 0.8775(2) 0.9940(2) 0.12317(13) 0.0308(6) Uani d . 1 . .
    H H5A 0.8343 1.0599 0.1258 0.037 Uiso calc R 1 . .
    H H5B 0.9608 1.0125 0.1400 0.037 Uiso calc R 1 . .
    C C6 0.8722(2) 0.9393(2) 0.05030(13) 0.0325(6) Uani d . 1 . .
    C C7 0.9613(2) 0.8707(2) 0.02695(13) 0.0340(6) Uani d . 1 . .
    H H7 1.0244 0.8566 0.0571 0.041 Uiso calc R 1 . .
    C C8 0.9583(3) 0.8229(2) -0.03992(13) 0.0397(7) Uani d . 1 . .
    H H8 1.0170 0.7753 -0.0544 0.048 Uiso calc R 1 . .
    C C9 0.8659(3) 0.8473(2) -0.08512(14) 0.0412(7) Uani d . 1 . .
    H H9 0.8636 0.8165 -0.1303 0.049 Uiso calc R 1 . .
    C C10 0.7781(3) 0.9165(2) -0.06377(14) 0.0398(7) Uani d . 1 . .
    H H10 0.7171 0.9322 -0.0946 0.048 Uiso calc R 1 . .
    C C11 0.7800(2) 0.9630(2) 0.00359(13) 0.0353(6) Uani d . 1 . .
    H H11 0.7204 1.0098 0.0178 0.042 Uiso calc R 1 . .
    C C12 0.9765(2) 0.8347(2) 0.31560(13) 0.0311(6) Uani d . 1 . .
    C C13 0.9627(3) 0.7213(2) 0.30128(13) 0.0340(6) Uani d . 1 . .
    H H13 0.9852 0.6834 0.2611 0.041 Uiso calc R 1 . .
    C C14 0.9186(3) 0.6675(2) 0.34359(13) 0.0354(6) Uani d . 1 . .
    H H14 0.9113 0.5936 0.3319 0.043 Uiso calc R 1 . .
    C C15 0.8835(2) 0.7196(2) 0.40471(13) 0.0305(6) Uani d . 1 . .
    C C16 0.8951(3) 0.8298(2) 0.41933(13) 0.0356(6) Uani d . 1 . .
    H H16 0.8717 0.8667 0.4596 0.043 Uiso calc R 1 . .
    C C17 0.9407(2) 0.8876(2) 0.37573(12) 0.0324(6) Uani d . 1 . .
    H H17 0.9469 0.9615 0.3872 0.039 Uiso calc R 1 . .
    C C18 0.8331(3) 0.6590(2) 0.45344(14) 0.0377(6) Uani d . 1 . .
    C C19 0.8319(3) 0.5369(3) 0.42843(18) 0.0562(9) Uani d . 1 . .
    H H19A 0.8053 0.5024 0.4620 0.084 Uiso calc R 1 . .
    H H19B 0.9115 0.5147 0.4198 0.084 Uiso calc R 1 . .
    H H19C 0.7781 0.5179 0.3879 0.084 Uiso calc R 1 . .
    C C20 0.9149(3) 0.6837(3) 0.52033(15) 0.0492(8) Uani d . 1 . .
    H H20A 0.9312 0.7591 0.5329 0.074 Uiso calc R 1 . .
    H H20B 0.9891 0.6471 0.5153 0.074 Uiso calc R 1 . .
    H H20C 0.8753 0.6603 0.5544 0.074 Uiso calc R 1 . .
    C C21 0.7067(3) 0.6965(3) 0.46511(19) 0.0615(10) Uani d . 1 . .
    H H21A 0.7103 0.7703 0.4867 0.092 Uiso calc R 1 . .
    H H21B 0.6725 0.6551 0.4930 0.092 Uiso calc R 1 . .
    H H21C 0.6576 0.6878 0.4229 0.092 Uiso calc R 1 . .
    C C22 0.6199(3) 0.7823(2) 0.06713(13) 0.0365(6) Uani d . 1 . .
    H H22A 0.5357 0.7664 0.0546 0.055 Uiso calc R 1 . .
    H H22B 0.6597 0.7193 0.0757 0.055 Uiso calc R 1 . .
    H H22C 0.6538 0.8063 0.0314 0.055 Uiso calc R 1 . .
    C C23 0.5732(3) 1.0357(2) 0.14290(15) 0.0402(7) Uani d . 1 . .
    H H23A 0.5559 1.0404 0.0967 0.060 Uiso calc R 1 . .
    H H23B 0.6301 1.0911 0.1650 0.060 Uiso calc R 1 . .
    H H23C 0.5004 1.0436 0.1641 0.060 Uiso calc R 1 . .
    C C24 0.6038(3) 0.8411(2) 0.22921(13) 0.0395(7) Uani d . 1 . .
    H H24A 0.5213 0.8172 0.2232 0.059 Uiso calc R 1 . .
    H H24B 0.6172 0.8973 0.2681 0.059 Uiso calc R 1 . .
    H H24C 0.6549 0.7829 0.2351 0.059 Uiso calc R 1 . .
    C C25 1.2746(2) 0.9738(2) 0.22833(14) 0.0351(6) Uani d . 1 . .
    H H25A 1.3549 1.0023 0.2421 0.053 Uiso calc R 1 . .
    H H25B 1.2228 1.0296 0.2185 0.053 Uiso calc R 1 . .
    H H25C 1.2745 0.9188 0.1890 0.053 Uiso calc R 1 . .
    C C26 1.2214(3) 1.0128(2) 0.38873(13) 0.0397(7) Uani d . 1 . .
    H H26A 1.1903 0.9774 0.4207 0.060 Uiso calc R 1 . .
    H H26B 1.1735 1.0734 0.3839 0.060 Uiso calc R 1 . .
    H H26C 1.3031 1.0361 0.4041 0.060 Uiso calc R 1 . .
    C C27 1.2719(2) 0.7689(2) 0.30281(14) 0.0361(6) Uani d . 1 . .
    H H27A 1.3543 0.7724 0.3220 0.054 Uiso calc R 1 . .
    H H27B 1.2655 0.7280 0.2579 0.054 Uiso calc R 1 . .
    H H27C 1.2234 0.7356 0.3292 0.054 Uiso calc R 1 . .
    C C28 0.4553(2) 0.5047(2) 0.77416(12) 0.0291(6) Uani d . 1 . .
    H H28A 0.3941 0.5294 0.7439 0.035 Uiso calc R 1 . .
    H H28B 0.4312 0.4335 0.7778 0.035 Uiso calc R 1 . .
    C C29 0.5737(2) 0.49806(19) 0.74267(12) 0.0259(5) Uani d . 1 . .
    H H29A 0.6326 0.4633 0.7688 0.031 Uiso calc R 1 . .
    H H29B 0.5610 0.4550 0.6978 0.031 Uiso calc R 1 . .
    C C30 0.6428(2) 0.6655(2) 0.81280(13) 0.0330(6) Uani d . 1 . .
    H H30A 0.6974 0.6256 0.8380 0.040 Uiso calc R 1 . .
    H H30B 0.6794 0.7352 0.8153 0.040 Uiso calc R 1 . .
    C C31 0.5237(2) 0.6781(2) 0.84352(13) 0.0334(6) Uani d . 1 . .
    H H31A 0.5395 0.7153 0.8898 0.040 Uiso calc R 1 . .
    H H31B 0.4722 0.7224 0.8199 0.040 Uiso calc R 1 . .
    C C32 0.4999(2) 0.5226(2) 0.90057(13) 0.0365(7) Uani d . 1 . .
    H H32A 0.4906 0.5733 0.9416 0.044 Uiso calc R 1 . .
    H H32B 0.4455 0.4628 0.8989 0.044 Uiso calc R 1 . .
    C C33 0.6261(2) 0.4825(2) 0.90633(13) 0.0301(6) Uani d . 1 . .
    C C34 0.6475(2) 0.3752(2) 0.88124(13) 0.0301(6) Uani d . 1 . .
    H H34 0.5850 0.3300 0.8583 0.036 Uiso calc R 1 . .
    C C35 0.7626(3) 0.3365(2) 0.89078(14) 0.0376(6) Uani d . 1 . .
    H H35 0.7764 0.2653 0.8737 0.045 Uiso calc R 1 . .
    C C36 0.8557(3) 0.4011(3) 0.92486(14) 0.0438(7) Uani d . 1 . .
    H H36 0.9318 0.3736 0.9314 0.053 Uiso calc R 1 . .
    C C37 0.8367(3) 0.5082(3) 0.94981(15) 0.0449(7) Uani d . 1 . .
    H H37 0.9002 0.5529 0.9721 0.054 Uiso calc R 1 . .
    C C38 0.7214(3) 0.5479(2) 0.94111(13) 0.0397(7) Uani d . 1 . .
    H H38 0.7080 0.6189 0.9588 0.048 Uiso calc R 1 . .
    C C39 0.5475(2) 0.6626(2) 0.69475(13) 0.0320(6) Uani d . 1 . .
    C C40 0.5367(3) 0.7738(2) 0.70635(14) 0.0364(6) Uani d . 1 . .
    H H40 0.5732 0.8132 0.7467 0.044 Uiso calc R 1 . .
    C C41 0.4777(2) 0.8268(2) 0.66354(13) 0.0328(6) Uani d . 1 . .
    H H41 0.4755 0.9008 0.6743 0.039 Uiso calc R 1 . .
    C C42 0.4195(2) 0.7718(2) 0.60283(14) 0.0344(6) Uani d . 1 . .
    C C43 0.4286(2) 0.6624(2) 0.58951(13) 0.0336(6) Uani d . 1 . .
    H H43 0.3920 0.6241 0.5489 0.040 Uiso calc R 1 . .
    C C44 0.4894(2) 0.6068(2) 0.63361(13) 0.0345(6) Uani d . 1 . .
    H H44 0.4917 0.5329 0.6228 0.041 Uiso calc R 1 . .
    C C45 0.3507(2) 0.8302(2) 0.55320(14) 0.0367(6) Uani d . 1 . .
    C C46 0.2207(3) 0.7874(3) 0.53678(17) 0.0520(9) Uani d . 1 . .
    H H46A 0.2202 0.7129 0.5169 0.078 Uiso calc R 1 . .
    H H46B 0.1781 0.8253 0.5060 0.078 Uiso calc R 1 . .
    H H46C 0.1823 0.7971 0.5772 0.078 Uiso calc R 1 . .
    C C47 0.3529(3) 0.9526(3) 0.57814(18) 0.0555(9) Uani d . 1 . .
    H H47A 0.3151 0.9857 0.5434 0.083 Uiso calc R 1 . .
    H H47B 0.4347 0.9783 0.5895 0.083 Uiso calc R 1 . .
    H H47C 0.3104 0.9697 0.6170 0.083 Uiso calc R 1 . .
    C C48 0.4120(3) 0.8086(2) 0.48701(14) 0.0425(7) Uani d . 1 . .
    H H48A 0.4215 0.7334 0.4728 0.064 Uiso calc R 1 . .
    H H48B 0.4895 0.8441 0.4947 0.064 Uiso calc R 1 . .
    H H48C 0.3628 0.8352 0.4529 0.064 Uiso calc R 1 . .
    C C49 0.8475(3) 0.7362(2) 0.70366(15) 0.0407(7) Uani d . 1 . .
    H H49A 0.8504 0.7787 0.7480 0.061 Uiso calc R 1 . .
    H H49B 0.7924 0.7664 0.6737 0.061 Uiso calc R 1 . .
    H H49C 0.9262 0.7348 0.6889 0.061 Uiso calc R 1 . .
    C C50 0.7598(3) 0.4889(2) 0.61685(13) 0.0381(7) Uani d . 1 . .
    H H50A 0.8344 0.4679 0.5996 0.057 Uiso calc R 1 . .
    H H50B 0.7123 0.5233 0.5858 0.057 Uiso calc R 1 . .
    H H50C 0.7168 0.4271 0.6228 0.057 Uiso calc R 1 . .
    C C51 0.8883(2) 0.5318(2) 0.77515(14) 0.0352(6) Uani d . 1 . .
    H H51A 0.9667 0.5145 0.7620 0.053 Uiso calc R 1 . .
    H H51B 0.8487 0.4688 0.7819 0.053 Uiso calc R 1 . .
    H H51C 0.8958 0.5842 0.8161 0.053 Uiso calc R 1 . .
    C C52 0.2199(3) 0.6759(3) 0.77589(16) 0.0478(8) Uani d . 1 . .
    H H52A 0.1437 0.7079 0.7827 0.072 Uiso calc R 1 . .
    H H52B 0.2110 0.6206 0.7364 0.072 Uiso calc R 1 . .
    H H52C 0.2769 0.7290 0.7706 0.072 Uiso calc R 1 . .
    C C53 0.2949(3) 0.7196(2) 0.94034(15) 0.0439(7) Uani d . 1 . .
    H H53A 0.2176 0.7478 0.9491 0.066 Uiso calc R 1 . .
    H H53B 0.3489 0.7764 0.9372 0.066 Uiso calc R 1 . .
    H H53C 0.3263 0.6857 0.9761 0.066 Uiso calc R 1 . .
    C C54 0.2034(3) 0.4745(3) 0.85564(17) 0.0492(8) Uani d . 1 . .
    H H54A 0.2406 0.4472 0.8930 0.074 Uiso calc R 1 . .
    H H54B 0.2141 0.4257 0.8148 0.074 Uiso calc R 1 . .
    H H54C 0.1191 0.4829 0.8595 0.074 Uiso calc R 1 . .
    N N1 0.82603(19) 0.92951(17) 0.16896(10) 0.0292(5) Uani d . 1 . .
    N N2 1.02877(19) 0.89295(16) 0.27066(10) 0.0294(5) Uani d . 1 . .
    N N3 0.62219(19) 0.60702(17) 0.73935(11) 0.0309(5) Uani d . 1 . .
    N N4 0.45731(19) 0.57570(17) 0.84175(10) 0.0304(5) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Al1 C22 . 1.975(3) ?
    Al1 C23 . 1.980(3) ?
    Al1 C24 . 1.991(3) ?
    Al1 N1 . 2.089(2) ?
    Al2 C27 . 1.963(3) ?
    Al2 C26 . 1.973(3) ?
    Al2 C25 . 1.984(3) ?
    Al2 N2 . 2.121(2) ?
    Al3 C54 . 1.971(3) ?
    Al3 C53 . 1.983(3) ?
    Al3 C52 . 1.991(3) ?
    Al3 N4 . 2.095(2) ?
    Al4 C51 . 1.970(3) ?
    Al4 C49 . 1.979(3) ?
    Al4 C50 . 1.986(3) ?
    Al4 N3 . 2.109(2) ?
    C1 N1 . 1.504(3) ?
    C1 C2 . 1.531(4) ?
    C1 H1A . 0.9700 ?
    C1 H1B . 0.9700 ?
    C2 N2 . 1.528(3) ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 N2 . 1.509(3) ?
    C3 C4 . 1.524(4) ?
    C3 H3A . 0.9700 ?
    C3 H3B . 0.9700 ?
    C4 N1 . 1.502(3) ?
    C4 H4A . 0.9700 ?
    C4 H4B . 0.9700 ?
    C5 C6 . 1.513(4) ?
    C5 N1 . 1.521(3) ?
    C5 H5A . 0.9700 ?
    C5 H5B . 0.9700 ?
    C6 C7 . 1.392(4) ?
    C6 C11 . 1.407(4) ?
    C7 C8 . 1.382(4) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.392(4) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.373(4) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.389(4) ?
    C10 H10 . 0.9300 ?
    C11 H11 . 0.9300 ?
    C12 C17 . 1.384(3) ?
    C12 C13 . 1.428(4) ?
    C12 N2 . 1.460(3) ?
    C13 C14 . 1.340(4) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.394(4) ?
    C14 H14 . 0.9300 ?
    C15 C16 . 1.387(4) ?
    C15 C18 . 1.530(3) ?
    C16 C17 . 1.401(4) ?
    C16 H16 . 0.9300 ?
    C17 H17 . 0.9300 ?
    C18 C21 . 1.525(4) ?
    C18 C20 . 1.541(4) ?
    C18 C19 . 1.546(4) ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 H20A . 0.9600 ?
    C20 H20B . 0.9600 ?
    C20 H20C . 0.9600 ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
    C22 H22A . 0.9600 ?
    C22 H22B . 0.9600 ?
    C22 H22C . 0.9600 ?
    C23 H23A . 0.9600 ?
    C23 H23B . 0.9600 ?
    C23 H23C . 0.9600 ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
    C25 H25A . 0.9600 ?
    C25 H25B . 0.9600 ?
    C25 H25C . 0.9600 ?
    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 N4 . 1.497(3) ?
    C28 C29 . 1.530(3) ?
    C28 H28A . 0.9700 ?
    C28 H28B . 0.9700 ?
    C29 N3 . 1.512(3) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C30 C31 . 1.530(4) ?
    C30 N3 . 1.535(3) ?
    C30 H30A . 0.9700 ?
    C30 H30B . 0.9700 ?
    C31 N4 . 1.497(3) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C32 C33 . 1.505(4) ?
    C32 N4 . 1.532(3) ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
    C33 C38 . 1.393(4) ?
    C33 C34 . 1.401(4) ?
    C34 C35 . 1.389(4) ?
    C34 H34 . 0.9300 ?
    C35 C36 . 1.367(4) ?
    C35 H35 . 0.9300 ?
    C36 C37 . 1.391(4) ?
    C36 H36 . 0.9300 ?
    C37 C38 . 1.395(4) ?
    C37 H37 . 0.9300 ?
    C38 H38 . 0.9300 ?
    C39 C44 . 1.404(4) ?
    C39 C40 . 1.404(4) ?
    C39 N3 . 1.463(3) ?
    C40 C41 . 1.335(4) ?
    C40 H40 . 0.9300 ?
    C41 C42 . 1.394(4) ?
    C41 H41 . 0.9300 ?
    C42 C43 . 1.381(4) ?
    C42 C45 . 1.525(4) ?
    C43 C44 . 1.383(4) ?
    C43 H43 . 0.9300 ?
    C44 H44 . 0.9300 ?
    C45 C46 . 1.531(4) ?
    C45 C47 . 1.550(4) ?
    C45 C48 . 1.562(4) ?
    C46 H46A . 0.9600 ?
    C46 H46B . 0.9600 ?
    C46 H46C . 0.9600 ?
    C47 H47A . 0.9600 ?
    C47 H47B . 0.9600 ?
    C47 H47C . 0.9600 ?
    C48 H48A . 0.9600 ?
    C48 H48B . 0.9600 ?
    C48 H48C . 0.9600 ?
    C49 H49A . 0.9600 ?
    C49 H49B . 0.9600 ?
    C49 H49C . 0.9600 ?
    C50 H50A . 0.9600 ?
    C50 H50B . 0.9600 ?
    C50 H50C . 0.9600 ?
    C51 H51A . 0.9600 ?
    C51 H51B . 0.9600 ?
    C51 H51C . 0.9600 ?
    C52 H52A . 0.9600 ?
    C52 H52B . 0.9600 ?
    C52 H52C . 0.9600 ?
    C53 H53A . 0.9600 ?
    C53 H53B . 0.9600 ?
    C53 H53C . 0.9600 ?
    C54 H54A . 0.9600 ?
    C54 H54B . 0.9600 ?
    C54 H54C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C22 Al1 C23 . . 117.28(13) ?
    C22 Al1 C24 . . 111.64(13) ?
    C23 Al1 C24 . . 113.85(13) ?
    C22 Al1 N1 . . 106.49(11) ?
    C23 Al1 N1 . . 102.93(11) ?
    C24 Al1 N1 . . 102.83(11) ?
    C27 Al2 C26 . . 116.72(13) ?
    C27 Al2 C25 . . 112.84(13) ?
    C26 Al2 C25 . . 115.29(13) ?
    C27 Al2 N2 . . 104.44(11) ?
    C26 Al2 N2 . . 102.78(11) ?
    C25 Al2 N2 . . 102.35(10) ?
    C54 Al3 C53 . . 116.88(14) ?
    C54 Al3 C52 . . 114.34(14) ?
    C53 Al3 C52 . . 113.25(14) ?
    C54 Al3 N4 . . 102.92(12) ?
    C53 Al3 N4 . . 102.49(11) ?
    C52 Al3 N4 . . 104.70(11) ?
    C51 Al4 C49 . . 110.99(13) ?
    C51 Al4 C50 . . 115.34(12) ?
    C49 Al4 C50 . . 117.80(13) ?
    C51 Al4 N3 . . 102.76(10) ?
    C49 Al4 N3 . . 104.58(11) ?
    C50 Al4 N3 . . 103.16(11) ?
    N1 C1 C2 . . 112.2(2) ?
    N1 C1 H1A . . 109.2 ?
    C2 C1 H1A . . 109.2 ?
    N1 C1 H1B . . 109.2 ?
    C2 C1 H1B . . 109.2 ?
    H1A C1 H1B . . 107.9 ?
    N2 C2 C1 . . 110.2(2) ?
    N2 C2 H2A . . 109.6 ?
    C1 C2 H2A . . 109.6 ?
    N2 C2 H2B . . 109.6 ?
    C1 C2 H2B . . 109.6 ?
    H2A C2 H2B . . 108.1 ?
    N2 C3 C4 . . 112.0(2) ?
    N2 C3 H3A . . 109.2 ?
    C4 C3 H3A . . 109.2 ?
    N2 C3 H3B . . 109.2 ?
    C4 C3 H3B . . 109.2 ?
    H3A C3 H3B . . 107.9 ?
    N1 C4 C3 . . 114.2(2) ?
    N1 C4 H4A . . 108.7 ?
    C3 C4 H4A . . 108.7 ?
    N1 C4 H4B . . 108.7 ?
    C3 C4 H4B . . 108.7 ?
    H4A C4 H4B . . 107.6 ?
    C6 C5 N1 . . 115.5(2) ?
    C6 C5 H5A . . 108.4 ?
    N1 C5 H5A . . 108.4 ?
    C6 C5 H5B . . 108.4 ?
    N1 C5 H5B . . 108.4 ?
    H5A C5 H5B . . 107.5 ?
    C7 C6 C11 . . 118.4(3) ?
    C7 C6 C5 . . 121.6(2) ?
    C11 C6 C5 . . 119.9(2) ?
    C8 C7 C6 . . 121.7(3) ?
    C8 C7 H7 . . 119.2 ?
    C6 C7 H7 . . 119.2 ?
    C7 C8 C9 . . 118.8(3) ?
    C7 C8 H8 . . 120.6 ?
    C9 C8 H8 . . 120.6 ?
    C10 C9 C8 . . 120.8(3) ?
    C10 C9 H9 . . 119.6 ?
    C8 C9 H9 . . 119.6 ?
    C9 C10 C11 . . 120.4(3) ?
    C9 C10 H10 . . 119.8 ?
    C11 C10 H10 . . 119.8 ?
    C10 C11 C6 . . 119.9(3) ?
    C10 C11 H11 . . 120.0 ?
    C6 C11 H11 . . 120.0 ?
    C17 C12 C13 . . 116.6(2) ?
    C17 C12 N2 . . 121.0(2) ?
    C13 C12 N2 . . 122.4(2) ?
    C14 C13 C12 . . 122.5(2) ?
    C14 C13 H13 . . 118.8 ?
    C12 C13 H13 . . 118.8 ?
    C13 C14 C15 . . 121.6(3) ?
    C13 C14 H14 . . 119.2 ?
    C15 C14 H14 . . 119.2 ?
    C16 C15 C14 . . 116.9(2) ?
    C16 C15 C18 . . 121.1(2) ?
    C14 C15 C18 . . 122.1(2) ?
    C15 C16 C17 . . 122.4(2) ?
    C15 C16 H16 . . 118.8 ?
    C17 C16 H16 . . 118.8 ?
    C12 C17 C16 . . 120.0(2) ?
    C12 C17 H17 . . 120.0 ?
    C16 C17 H17 . . 120.0 ?
    C21 C18 C15 . . 109.2(2) ?
    C21 C18 C20 . . 109.3(3) ?
    C15 C18 C20 . . 108.4(2) ?
    C21 C18 C19 . . 110.3(3) ?
    C15 C18 C19 . . 112.6(2) ?
    C20 C18 C19 . . 107.0(3) ?
    C18 C19 H19A . . 109.5 ?
    C18 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    C18 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    C18 C20 H20A . . 109.5 ?
    C18 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    C18 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    C18 C21 H21A . . 109.5 ?
    C18 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C18 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    Al1 C22 H22A . . 109.5 ?
    Al1 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    Al1 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    Al1 C23 H23A . . 109.5 ?
    Al1 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    Al1 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    H23B C23 H23C . . 109.5 ?
    Al1 C24 H24A . . 109.5 ?
    Al1 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    Al1 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    Al2 C25 H25A . . 109.5 ?
    Al2 C25 H25B . . 109.5 ?
    H25A C25 H25B . . 109.5 ?
    Al2 C25 H25C . . 109.5 ?
    H25A C25 H25C . . 109.5 ?
    H25B C25 H25C . . 109.5 ?
    Al2 C26 H26A . . 109.5 ?
    Al2 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    Al2 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    Al2 C27 H27A . . 109.5 ?
    Al2 C27 H27B . . 109.5 ?
    H27A C27 H27B . . 109.5 ?
    Al2 C27 H27C . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    H27B C27 H27C . . 109.5 ?
    N4 C28 C29 . . 115.9(2) ?
    N4 C28 H28A . . 108.3 ?
    C29 C28 H28A . . 108.3 ?
    N4 C28 H28B . . 108.3 ?
    C29 C28 H28B . . 108.3 ?
    H28A C28 H28B . . 107.4 ?
    N3 C29 C28 . . 111.82(19) ?
    N3 C29 H29A . . 109.3 ?
    C28 C29 H29A . . 109.3 ?
    N3 C29 H29B . . 109.3 ?
    C28 C29 H29B . . 109.3 ?
    H29A C29 H29B . . 107.9 ?
    C31 C30 N3 . . 110.5(2) ?
    C31 C30 H30A . . 109.5 ?
    N3 C30 H30A . . 109.5 ?
    C31 C30 H30B . . 109.5 ?
    N3 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 108.1 ?
    N4 C31 C30 . . 114.7(2) ?
    N4 C31 H31A . . 108.6 ?
    C30 C31 H31A . . 108.6 ?
    N4 C31 H31B . . 108.6 ?
    C30 C31 H31B . . 108.6 ?
    H31A C31 H31B . . 107.6 ?
    C33 C32 N4 . . 119.1(2) ?
    C33 C32 H32A . . 107.6 ?
    N4 C32 H32A . . 107.6 ?
    C33 C32 H32B . . 107.6 ?
    N4 C32 H32B . . 107.6 ?
    H32A C32 H32B . . 107.0 ?
    C38 C33 C34 . . 118.7(2) ?
    C38 C33 C32 . . 121.3(3) ?
    C34 C33 C32 . . 119.8(2) ?
    C35 C34 C33 . . 119.8(3) ?
    C35 C34 H34 . . 120.1 ?
    C33 C34 H34 . . 120.1 ?
    C36 C35 C34 . . 121.2(3) ?
    C36 C35 H35 . . 119.4 ?
    C34 C35 H35 . . 119.4 ?
    C35 C36 C37 . . 120.0(3) ?
    C35 C36 H36 . . 120.0 ?
    C37 C36 H36 . . 120.0 ?
    C36 C37 C38 . . 119.4(3) ?
    C36 C37 H37 . . 120.3 ?
    C38 C37 H37 . . 120.3 ?
    C33 C38 C37 . . 121.0(3) ?
    C33 C38 H38 . . 119.5 ?
    C37 C38 H38 . . 119.5 ?
    C44 C39 C40 . . 115.4(2) ?
    C44 C39 N3 . . 120.8(2) ?
    C40 C39 N3 . . 123.6(2) ?
    C41 C40 C39 . . 124.6(3) ?
    C41 C40 H40 . . 117.7 ?
    C39 C40 H40 . . 117.7 ?
    C40 C41 C42 . . 120.3(3) ?
    C40 C41 H41 . . 119.9 ?
    C42 C41 H41 . . 119.9 ?
    C43 C42 C41 . . 116.8(2) ?
    C43 C42 C45 . . 121.7(2) ?
    C41 C42 C45 . . 121.5(2) ?
    C42 C43 C44 . . 123.2(3) ?
    C42 C43 H43 . . 118.4 ?
    C44 C43 H43 . . 118.4 ?
    C43 C44 C39 . . 119.7(3) ?
    C43 C44 H44 . . 120.2 ?
    C39 C44 H44 . . 120.2 ?
    C42 C45 C46 . . 110.3(2) ?
    C42 C45 C47 . . 113.0(2) ?
    C46 C45 C47 . . 110.2(2) ?
    C42 C45 C48 . . 108.3(2) ?
    C46 C45 C48 . . 108.1(2) ?
    C47 C45 C48 . . 106.8(3) ?
    C45 C46 H46A . . 109.5 ?
    C45 C46 H46B . . 109.5 ?
    H46A C46 H46B . . 109.5 ?
    C45 C46 H46C . . 109.5 ?
    H46A C46 H46C . . 109.5 ?
    H46B C46 H46C . . 109.5 ?
    C45 C47 H47A . . 109.5 ?
    C45 C47 H47B . . 109.5 ?
    H47A C47 H47B . . 109.5 ?
    C45 C47 H47C . . 109.5 ?
    H47A C47 H47C . . 109.5 ?
    H47B C47 H47C . . 109.5 ?
    C45 C48 H48A . . 109.5 ?
    C45 C48 H48B . . 109.5 ?
    H48A C48 H48B . . 109.5 ?
    C45 C48 H48C . . 109.5 ?
    H48A C48 H48C . . 109.5 ?
    H48B C48 H48C . . 109.5 ?
    Al4 C49 H49A . . 109.5 ?
    Al4 C49 H49B . . 109.5 ?
    H49A C49 H49B . . 109.5 ?
    Al4 C49 H49C . . 109.5 ?
    H49A C49 H49C . . 109.5 ?
    H49B C49 H49C . . 109.5 ?
    Al4 C50 H50A . . 109.5 ?
    Al4 C50 H50B . . 109.5 ?
    H50A C50 H50B . . 109.5 ?
    Al4 C50 H50C . . 109.5 ?
    H50A C50 H50C . . 109.5 ?
    H50B C50 H50C . . 109.5 ?
    Al4 C51 H51A . . 109.5 ?
    Al4 C51 H51B . . 109.5 ?
    H51A C51 H51B . . 109.5 ?
    Al4 C51 H51C . . 109.5 ?
    H51A C51 H51C . . 109.5 ?
    H51B C51 H51C . . 109.5 ?
    Al3 C52 H52A . . 109.5 ?
    Al3 C52 H52B . . 109.5 ?
    H52A C52 H52B . . 109.5 ?
    Al3 C52 H52C . . 109.5 ?
    H52A C52 H52C . . 109.5 ?
    H52B C52 H52C . . 109.5 ?
    Al3 C53 H53A . . 109.5 ?
    Al3 C53 H53B . . 109.5 ?
    H53A C53 H53B . . 109.5 ?
    Al3 C53 H53C . . 109.5 ?
    H53A C53 H53C . . 109.5 ?
    H53B C53 H53C . . 109.5 ?
    Al3 C54 H54A . . 109.5 ?
    Al3 C54 H54B . . 109.5 ?
    H54A C54 H54B . . 109.5 ?
    Al3 C54 H54C . . 109.5 ?
    H54A C54 H54C . . 109.5 ?
    H54B C54 H54C . . 109.5 ?
    C4 N1 C1 . . 108.1(2) ?
    C4 N1 C5 . . 107.71(19) ?
    C1 N1 C5 . . 112.8(2) ?
    C4 N1 Al1 . . 106.49(15) ?
    C1 N1 Al1 . . 106.19(15) ?
    C5 N1 Al1 . . 115.23(16) ?
    C12 N2 C3 . . 114.3(2) ?
    C12 N2 C2 . . 116.1(2) ?
    C3 N2 C2 . . 104.13(19) ?
    C12 N2 Al2 . . 107.98(16) ?
    C3 N2 Al2 . . 108.25(15) ?
    C2 N2 Al2 . . 105.53(15) ?
    C39 N3 C29 . . 114.5(2) ?
    C39 N3 C30 . . 115.1(2) ?
    C29 N3 C30 . . 104.30(19) ?
    C39 N3 Al4 . . 107.48(15) ?
    C29 N3 Al4 . . 108.44(15) ?
    C30 N3 Al4 . . 106.70(15) ?
    C28 N4 C31 . . 110.38(19) ?
    C28 N4 C32 . . 114.7(2) ?
    C31 N4 C32 . . 113.1(2) ?
    C28 N4 Al3 . . 106.48(15) ?
    C31 N4 Al3 . . 106.98(15) ?
    C32 N4 Al3 . . 104.54(15) ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N1 C1 C2 N2 . . . . 63.3(3) ?
    N2 C3 C4 N1 . . . . -57.4(3) ?
    N1 C5 C6 C7 . . . . -85.1(3) ?
    N1 C5 C6 C11 . . . . 99.2(3) yes
    C11 C6 C7 C8 . . . . -2.5(4) ?
    C5 C6 C7 C8 . . . . -178.2(2) ?
    C6 C7 C8 C9 . . . . 2.3(4) ?
    C7 C8 C9 C10 . . . . -0.9(4) ?
    C8 C9 C10 C11 . . . . -0.2(4) ?
    C9 C10 C11 C6 . . . . 0.0(4) ?
    C7 C6 C11 C10 . . . . 1.3(4) ?
    C5 C6 C11 C10 . . . . 177.1(2) ?
    C17 C12 C13 C14 . . . . -0.6(4) ?
    N2 C12 C13 C14 . . . . 177.6(3) ?
    C12 C13 C14 C15 . . . . -0.1(5) ?
    C13 C14 C15 C16 . . . . 0.7(4) ?
    C13 C14 C15 C18 . . . . -179.9(3) ?
    C14 C15 C16 C17 . . . . -0.5(4) ?
    C18 C15 C16 C17 . . . . -179.9(3) ?
    C13 C12 C17 C16 . . . . 0.8(4) ?
    N2 C12 C17 C16 . . . . -177.5(2) ?
    C15 C16 C17 C12 . . . . -0.2(4) ?
    C16 C15 C18 C21 . . . . 59.0(4) ?
    C14 C15 C18 C21 . . . . -120.3(3) ?
    C16 C15 C18 C20 . . . . -60.0(3) ?
    C14 C15 C18 C20 . . . . 120.7(3) ?
    C16 C15 C18 C19 . . . . -178.1(3) ?
    C14 C15 C18 C19 . . . . 2.5(4) ?
    N4 C28 C29 N3 . . . . -54.3(3) ?
    N3 C30 C31 N4 . . . . 58.4(3) ?
    N4 C32 C33 C38 . . . . 89.4(3) ?
    N4 C32 C33 C34 . . . . -96.0(3) ?
    C38 C33 C34 C35 . . . . -0.7(4) ?
    C32 C33 C34 C35 . . . . -175.4(2) ?
    C33 C34 C35 C36 . . . . 0.6(4) ?
    C34 C35 C36 C37 . . . . -1.0(4) ?
    C35 C36 C37 C38 . . . . 1.6(4) ?
    C34 C33 C38 C37 . . . . 1.3(4) ?
    C32 C33 C38 C37 . . . . 175.9(3) ?
    C36 C37 C38 C33 . . . . -1.7(4) ?
    C44 C39 C40 C41 . . . . -0.9(4) ?
    N3 C39 C40 C41 . . . . 173.8(3) ?
    C39 C40 C41 C42 . . . . 1.1(5) ?
    C40 C41 C42 C43 . . . . -1.3(4) ?
    C40 C41 C42 C45 . . . . 179.5(3) ?
    C41 C42 C43 C44 . . . . 1.4(4) ?
    C45 C42 C43 C44 . . . . -179.4(3) ?
    C42 C43 C44 C39 . . . . -1.3(4) ?
    C40 C39 C44 C43 . . . . 0.9(4) ?
    N3 C39 C44 C43 . . . . -174.0(2) ?
    C43 C42 C45 C46 . . . . 56.6(4) ?
    C41 C42 C45 C46 . . . . -124.3(3) ?
    C43 C42 C45 C47 . . . . -179.6(3) ?
    C41 C42 C45 C47 . . . . -0.5(4) ?
    C43 C42 C45 C48 . . . . -61.5(3) ?
    C41 C42 C45 C48 . . . . 117.6(3) ?
    C3 C4 N1 C1 . . . . 50.7(3) ?
    C3 C4 N1 C5 . . . . -71.4(3) ?
    C3 C4 N1 Al1 . . . . 164.42(18) ?
    C2 C1 N1 C4 . . . . -53.5(3) yes
    C2 C1 N1 C5 . . . . 65.4(3) ?
    C2 C1 N1 Al1 . . . . -167.47(17) ?
    C6 C5 N1 C4 . . . . 176.5(2) ?
    C6 C5 N1 C1 . . . . 57.4(3) ?
    C6 C5 N1 Al1 . . . . -64.8(3) ?
    C22 Al1 N1 C4 . . . . -166.00(17) ?
    C23 Al1 N1 C4 . . . . 70.06(18) ?
    C24 Al1 N1 C4 . . . . -48.49(18) ?
    C22 Al1 N1 C1 . . . . -50.98(18) ?
    C23 Al1 N1 C1 . . . . -174.93(17) ?
    C24 Al1 N1 C1 . . . . 66.53(18) ?
    C22 Al1 N1 C5 . . . . 74.66(19) ?
    C23 Al1 N1 C5 . . . . -49.29(19) ?
    C24 Al1 N1 C5 . . . . -167.83(17) ?
    C17 C12 N2 C3 . . . . -34.8(3) ?
    C13 C12 N2 C3 . . . . 147.0(2) ?
    C17 C12 N2 C2 . . . . -156.1(2) ?
    C13 C12 N2 C2 . . . . 25.7(3) ?
    C17 C12 N2 Al2 . . . . 85.7(3) ?
    C13 C12 N2 Al2 . . . . -92.5(3) yes
    C4 C3 N2 C12 . . . . -67.5(3) ?
    C4 C3 N2 C2 . . . . 60.2(3) yes
    C4 C3 N2 Al2 . . . . 172.11(17) ?
    C1 C2 N2 C12 . . . . 63.5(3) ?
    C1 C2 N2 C3 . . . . -63.1(2) ?
    C1 C2 N2 Al2 . . . . -177.02(17) ?
    C27 Al2 N2 C12 . . . . 54.28(18) ?
    C26 Al2 N2 C12 . . . . -68.03(18) ?
    C25 Al2 N2 C12 . . . . 172.10(17) ?
    C27 Al2 N2 C3 . . . . 178.53(16) ?
    C26 Al2 N2 C3 . . . . 56.22(18) ?
    C25 Al2 N2 C3 . . . . -63.65(18) ?
    C27 Al2 N2 C2 . . . . -70.47(17) ?
    C26 Al2 N2 C2 . . . . 167.22(16) ?
    C25 Al2 N2 C2 . . . . 47.35(18) ?
    C44 C39 N3 C29 . . . . -38.2(3) ?
    C40 C39 N3 C29 . . . . 147.3(3) ?
    C44 C39 N3 C30 . . . . -159.0(2) ?
    C40 C39 N3 C30 . . . . 26.5(3) ?
    C44 C39 N3 Al4 . . . . 82.3(3) ?
    C40 C39 N3 Al4 . . . . -92.2(3) ?
    C28 C29 N3 C39 . . . . -65.6(3) ?
    C28 C29 N3 C30 . . . . 61.0(3) ?
    C28 C29 N3 Al4 . . . . 174.39(16) ?
    C31 C30 N3 C39 . . . . 63.1(3) ?
    C31 C30 N3 C29 . . . . -63.1(2) ?
    C31 C30 N3 Al4 . . . . -177.73(17) ?
    C51 Al4 N3 C39 . . . . 172.68(17) ?
    C49 Al4 N3 C39 . . . . 56.67(19) ?
    C50 Al4 N3 C39 . . . . -67.08(18) ?
    C51 Al4 N3 C29 . . . . -63.09(18) ?
    C49 Al4 N3 C29 . . . . -179.10(17) ?
    C50 Al4 N3 C29 . . . . 57.15(18) ?
    C51 Al4 N3 C30 . . . . 48.73(18) ?
    C49 Al4 N3 C30 . . . . -67.27(18) ?
    C50 Al4 N3 C30 . . . . 168.97(16) ?
    C29 C28 N4 C31 . . . . 43.4(3) ?
    C29 C28 N4 C32 . . . . -85.8(3) ?
    C29 C28 N4 Al3 . . . . 159.12(17) ?
    C30 C31 N4 C28 . . . . -45.6(3) ?
    C30 C31 N4 C32 . . . . 84.4(3) ?
    C30 C31 N4 Al3 . . . . -161.01(18) ?
    C33 C32 N4 C28 . . . . 62.6(3) ?
    C33 C32 N4 C31 . . . . -65.1(3) ?
    C33 C32 N4 Al3 . . . . 178.8(2) ?
    C54 Al3 N4 C28 . . . . 64.43(18) ?
    C53 Al3 N4 C28 . . . . -173.84(17) ?
    C52 Al3 N4 C28 . . . . -55.40(19) ?
    C54 Al3 N4 C31 . . . . -177.54(18) ?
    C53 Al3 N4 C31 . . . . -55.81(18) ?
    C52 Al3 N4 C31 . . . . 62.63(19) ?
    C54 Al3 N4 C32 . . . . -57.3(2) ?
    C53 Al3 N4 C32 . . . . 64.4(2) ?
    C52 Al3 N4 C32 . . . . -177.15(19) ?
data_global
_journal_date_recd_electronic     2007-07-05
_journal_date_accepted     2007-07-13
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      8
_journal_page_first     m2169
_journal_page_last     m2169
_journal_paper_category     QM
_journal_coeditor_code     SI2027
_publ_contact_author_name     'Lin Wu'
_publ_contact_author_address
;
Department of Chemistry
Nanjing University
Nanjing 210093
People's Republic of China
;
_publ_contact_author_email     shenyongmiao@nju.org.cn
_publ_contact_author_fax     '86-25-83317761'
_publ_contact_author_phone     '86-25-83592709'
_publ_section_title
;\
[μ-1-Benzyl-4-(4-tert-butylphenyl)piperazine-κ²N:N']\
bis[trimethylaluminium(III)]
;
loop_
    _publ_author_name
    _publ_author_address
    'Yang, Li-Chao'
;
Department of Chemistry
Nanjing University
Nanjing 210093
People's Republic of China
;
    'Xu, Qiang-Guo'
;
Jiang Su Hengrui Medicine Co. Ltd
Lianyungang 222002
People's Republic of China
;
    'Ou, Jia-Bao'
;
Jiang Su Hengrui Medicine Co. Ltd
Lianyungang 222002
People's Republic of China
;
    'Li, Yi-Zhi'
;
Coordination Chemistry Institute
State Key Laboratory of Coordination Chemistry
Nanjing University
Nanjing 210093
People's Republic of China
;
    'Wu, Lin'
;
Department of Chemistry
Nanjing University
Nanjing 210093
People's Republic of China
;
