#------------------------------------------------------------------------------
#$Date: 2025-07-01 01:12:39 +0300 (Tue, 01 Jul 2025) $
#$Revision: 300267 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/49/1574961.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_1574961
loop_
_publ_author_name
'Xu, Huihui'
'Baeza, José Miguel Léon'
'Bacereido, José Antoine'
'Rojas, Rene S.'
'Saffon-Merceron, Nathalie'
'Branchadell, Vicenç'
'Kato, Tsuyoshi'
_publ_section_title
;
 Aluminacyclopropene-Phosphine Complex: A Carbene-Exchange Reagent
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D5SC03846D
_journal_year                    2025
_chemical_formula_sum            'C46 H79 Al N5 P Si'
_chemical_formula_weight         788.18
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2025-04-04 deposited with the CCDC.	2025-06-30 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.190(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.6590(10)
_cell_length_b                   17.5105(12)
_cell_length_c                   20.6407(15)
_cell_measurement_reflns_used    9958
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.51
_cell_measurement_theta_min      2.22
_cell_volume                     4575.3(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0805
_diffrn_reflns_av_unetI/netI     0.0500
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            116536
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.338
_diffrn_reflns_theta_min         2.796
_diffrn_source                   'Incoatec micrfocus sealed tube'
_exptl_absorpt_coefficient_mu    0.142
_exptl_absorpt_correction_T_max  0.7404
_exptl_absorpt_correction_T_min  0.7121
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.144
_exptl_crystal_description       plate
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.275
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         11383
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0799
_refine_ls_R_factor_gt           0.0458
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0453P)²+2.3837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1026
_refine_ls_wR_factor_ref         0.1197
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7886
_reflns_number_total             11383
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc03846d2.cif
_cod_data_source_block           5
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1574961
_shelx_shelxl_version_number     2019/2
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.952
_shelx_estimated_absorpt_t_max   0.979
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.45780(4) 0.75269(3) 0.31158(2) 0.01677(11) Uani 1 1 d . . . . .
P1 P 0.23362(4) 0.79289(2) 0.36535(2) 0.01816(10) Uani 1 1 d . . . . .
Si1 Si 0.05418(4) 0.85371(3) 0.39409(3) 0.02654(13) Uani 1 1 d . . . . .
N1 N 0.47400(11) 0.70410(8) 0.39253(7) 0.0191(3) Uani 1 1 d . . . . .
N2 N 0.18654(12) 0.86760(8) 0.41103(7) 0.0242(3) Uani 1 1 d . . . . .
N3 N 0.10188(11) 0.78081(8) 0.34535(7) 0.0224(3) Uani 1 1 d . . . . .
N4 N 0.54174(12) 0.84596(8) 0.28490(7) 0.0212(3) Uani 1 1 d . . . . .
N5 N 0.50850(12) 0.70669(8) 0.23721(7) 0.0223(3) Uani 1 1 d . . . . .
C1 C 0.27833(14) 0.71471(9) 0.41270(8) 0.0196(4) Uani 1 1 d . . . . .
C2 C 0.37916(14) 0.68763(9) 0.42310(8) 0.0190(3) Uani 1 1 d . . . . .
C3 C 0.37046(15) 0.62279(10) 0.47242(9) 0.0249(4) Uani 1 1 d . . . . .
H3 H 0.436841 0.610125 0.496519 0.030 Uiso 1 1 calc R U . . .
C4 C 0.31811(17) 0.55562(11) 0.43553(10) 0.0331(5) Uani 1 1 d . . . . .
H4A H 0.352900 0.546690 0.393318 0.040 Uiso 1 1 calc R U . . .
H4B H 0.320589 0.508017 0.461370 0.040 Uiso 1 1 calc R U . . .
C5 C 0.20340(17) 0.58355(11) 0.42625(11) 0.0343(5) Uani 1 1 d . . . . .
H5A H 0.153036 0.550626 0.449936 0.041 Uiso 1 1 calc R U . . .
H5B H 0.183590 0.584601 0.379815 0.041 Uiso 1 1 calc R U . . .
C6 C 0.20627(15) 0.66520(11) 0.45517(9) 0.0270(4) Uani 1 1 d . . . . .
H6 H 0.135727 0.687898 0.465246 0.032 Uiso 1 1 calc R U . . .
C7 C 0.27806(16) 0.65084(11) 0.51404(9) 0.0300(4) Uani 1 1 d . . . . .
H7A H 0.294690 0.697986 0.538499 0.036 Uiso 1 1 calc R U . . .
H7B H 0.250324 0.611043 0.543504 0.036 Uiso 1 1 calc R U . . .
C8 C -0.03008(18) 0.82505(13) 0.46381(11) 0.0400(5) Uani 1 1 d . . . . .
H8A H 0.004054 0.783194 0.487443 0.060 Uiso 1 1 calc R U . . .
H8B H -0.099168 0.808107 0.447774 0.060 Uiso 1 1 calc R U . . .
H8C H -0.039461 0.868755 0.492877 0.060 Uiso 1 1 calc R U . . .
C9 C -0.01338(17) 0.93464(12) 0.35223(12) 0.0410(5) Uani 1 1 d . . . . .
H9A H -0.015442 0.979012 0.381135 0.061 Uiso 1 1 calc R U . . .
H9B H -0.085635 0.919584 0.340789 0.061 Uiso 1 1 calc R U . . .
H9C H 0.025437 0.947828 0.312786 0.061 Uiso 1 1 calc R U . . .
C10 C 0.24130(16) 0.91851(10) 0.45712(9) 0.0276(4) Uani 1 1 d . . . . .
C11 C 0.1781(2) 0.99195(13) 0.46412(14) 0.0546(7) Uani 1 1 d . . . . .
H11A H 0.171875 1.016961 0.421804 0.082 Uiso 1 1 calc R U . . .
H11B H 0.214156 1.026184 0.494538 0.082 Uiso 1 1 calc R U . . .
H11C H 0.107406 0.980001 0.480537 0.082 Uiso 1 1 calc R U . . .
C12 C 0.2483(2) 0.87942(14) 0.52297(11) 0.0528(7) Uani 1 1 d . . . . .
H12A H 0.176919 0.868170 0.538607 0.079 Uiso 1 1 calc R U . . .
H12B H 0.284147 0.913239 0.553817 0.079 Uiso 1 1 calc R U . . .
H12C H 0.288179 0.831729 0.518845 0.079 Uiso 1 1 calc R U . . .
C13 C 0.35218(19) 0.93812(14) 0.43391(12) 0.0449(6) Uani 1 1 d . . . . .
H13A H 0.393364 0.891087 0.429086 0.067 Uiso 1 1 calc R U . . .
H13B H 0.386691 0.971518 0.465662 0.067 Uiso 1 1 calc R U . . .
H13C H 0.347800 0.964382 0.392059 0.067 Uiso 1 1 calc R U . . .
C14 C 0.04368(15) 0.72546(11) 0.30395(9) 0.0280(4) Uani 1 1 d . . . . .
C15 C 0.11960(16) 0.67984(12) 0.26189(10) 0.0328(5) Uani 1 1 d . . . . .
H15A H 0.163091 0.714974 0.236399 0.049 Uiso 1 1 calc R U . . .
H15B H 0.079261 0.646696 0.232624 0.049 Uiso 1 1 calc R U . . .
H15C H 0.165287 0.648496 0.289592 0.049 Uiso 1 1 calc R U . . .
C16 C -0.03340(18) 0.76919(14) 0.26059(11) 0.0420(5) Uani 1 1 d . . . . .
H16A H -0.085841 0.795230 0.287537 0.063 Uiso 1 1 calc R U . . .
H16B H -0.069257 0.733396 0.231391 0.063 Uiso 1 1 calc R U . . .
H16C H 0.005458 0.807005 0.235032 0.063 Uiso 1 1 calc R U . . .
C17 C -0.02153(17) 0.67081(13) 0.34610(11) 0.0402(5) Uani 1 1 d . . . . .
H17A H 0.025766 0.642359 0.375012 0.060 Uiso 1 1 calc R U . . .
H17B H -0.059997 0.634971 0.318221 0.060 Uiso 1 1 calc R U . . .
H17C H -0.071954 0.700243 0.371968 0.060 Uiso 1 1 calc R U . . .
C18 C 0.56979(14) 0.68276(10) 0.42653(8) 0.0223(4) Uani 1 1 d . . . . .
C19 C 0.59852(16) 0.72011(11) 0.48505(9) 0.0293(4) Uani 1 1 d . . . . .
C20 C 0.69543(18) 0.70266(13) 0.51357(11) 0.0401(5) Uani 1 1 d . . . . .
H20 H 0.715125 0.727880 0.552529 0.048 Uiso 1 1 calc R U . . .
C21 C 0.76360(18) 0.65003(14) 0.48708(11) 0.0438(6) Uani 1 1 d . . . . .
H21 H 0.830222 0.640348 0.506747 0.053 Uiso 1 1 calc R U . . .
C22 C 0.73397(16) 0.61166(13) 0.43177(11) 0.0363(5) Uani 1 1 d . . . . .
H22 H 0.780163 0.574424 0.414033 0.044 Uiso 1 1 calc R U . . .
C23 C 0.63755(15) 0.62620(10) 0.40112(9) 0.0263(4) Uani 1 1 d . . . . .
C24 C 0.52759(18) 0.77627(12) 0.52009(10) 0.0351(5) Uani 1 1 d . . . . .
H24 H 0.461240 0.782158 0.494135 0.042 Uiso 1 1 calc R U . . .
C25 C 0.4974(2) 0.74567(15) 0.58740(10) 0.0489(6) Uani 1 1 d . . . . .
H25A H 0.469006 0.693845 0.583133 0.073 Uiso 1 1 calc R U . . .
H25B H 0.443788 0.778981 0.606654 0.073 Uiso 1 1 calc R U . . .
H25C H 0.560175 0.744708 0.615304 0.073 Uiso 1 1 calc R U . . .
C26 C 0.5771(2) 0.85568(13) 0.52845(12) 0.0470(6) Uani 1 1 d . . . . .
H26A H 0.644027 0.851055 0.552168 0.070 Uiso 1 1 calc R U . . .
H26B H 0.528736 0.888535 0.552766 0.070 Uiso 1 1 calc R U . . .
H26C H 0.590306 0.878160 0.485749 0.070 Uiso 1 1 calc R U . . .
C27 C 0.60755(16) 0.57730(11) 0.34355(10) 0.0311(4) Uani 1 1 d . . . . .
H27 H 0.540375 0.598194 0.325091 0.037 Uiso 1 1 calc R U . . .
C28 C 0.58640(19) 0.49466(12) 0.36446(13) 0.0453(6) Uani 1 1 d . . . . .
H28A H 0.651623 0.472160 0.381621 0.068 Uiso 1 1 calc R U . . .
H28B H 0.562120 0.464962 0.327025 0.068 Uiso 1 1 calc R U . . .
H28C H 0.531950 0.494053 0.398096 0.068 Uiso 1 1 calc R U . . .
C29 C 0.69075(19) 0.57935(13) 0.29009(11) 0.0437(6) Uani 1 1 d . . . . .
H29A H 0.706362 0.632529 0.278847 0.066 Uiso 1 1 calc R U . . .
H29B H 0.663845 0.552564 0.251754 0.066 Uiso 1 1 calc R U . . .
H29C H 0.755379 0.554269 0.305398 0.066 Uiso 1 1 calc R U . . .
C30 C 0.33149(14) 0.81070(9) 0.31347(8) 0.0193(3) Uani 1 1 d . . . . .
C31 C 0.61538(15) 0.81837(10) 0.23434(9) 0.0249(4) Uani 1 1 d . . . . .
C32 C 0.59060(15) 0.74930(10) 0.21015(9) 0.0247(4) Uani 1 1 d . . . . .
C33 C 0.70604(16) 0.86686(12) 0.21086(11) 0.0336(5) Uani 1 1 d . . . . .
H33A H 0.770451 0.835880 0.209245 0.050 Uiso 1 1 calc R U . . .
H33B H 0.716669 0.909792 0.240627 0.050 Uiso 1 1 calc R U . . .
H33C H 0.689873 0.886388 0.167449 0.050 Uiso 1 1 calc R U . . .
C34 C 0.65207(18) 0.71644(12) 0.15420(10) 0.0382(5) Uani 1 1 d . . . . .
H34A H 0.612324 0.724051 0.113891 0.057 Uiso 1 1 calc R U . . .
H34B H 0.663260 0.661692 0.161290 0.057 Uiso 1 1 calc R U . . .
H34C H 0.720568 0.742239 0.151072 0.057 Uiso 1 1 calc R U . . .
C35 C 0.59248(16) 0.87957(11) 0.34533(10) 0.0300(4) Uani 1 1 d . . . . .
H35 H 0.542422 0.868409 0.381488 0.036 Uiso 1 1 calc R U . . .
C36 C 0.6082(2) 0.96611(13) 0.34601(12) 0.0470(6) Uani 1 1 d . . . . .
H36A H 0.664570 0.979891 0.315766 0.071 Uiso 1 1 calc R U . . .
H36B H 0.627667 0.982618 0.389811 0.071 Uiso 1 1 calc R U . . .
H36C H 0.542378 0.991298 0.332884 0.071 Uiso 1 1 calc R U . . .
C37 C 0.69374(17) 0.83730(13) 0.36221(11) 0.0395(5) Uani 1 1 d . . . . .
H37A H 0.682529 0.782238 0.357203 0.059 Uiso 1 1 calc R U . . .
H37B H 0.713614 0.848500 0.407146 0.059 Uiso 1 1 calc R U . . .
H37C H 0.750362 0.853908 0.333177 0.059 Uiso 1 1 calc R U . . .
C38 C 0.44845(16) 0.65562(11) 0.19441(9) 0.0276(4) Uani 1 1 d . . . . .
H38 H 0.499437 0.623667 0.169318 0.033 Uiso 1 1 calc R U . . .
C39 C 0.37931(17) 0.60313(11) 0.23464(10) 0.0332(5) Uani 1 1 d . . . . .
H39A H 0.423847 0.566313 0.257812 0.050 Uiso 1 1 calc R U . . .
H39B H 0.330250 0.575710 0.206118 0.050 Uiso 1 1 calc R U . . .
H39C H 0.339201 0.633483 0.265961 0.050 Uiso 1 1 calc R U . . .
C40 C 0.38095(19) 0.70131(13) 0.14662(10) 0.0421(5) Uani 1 1 d . . . . .
H40A H 0.327336 0.730215 0.170417 0.063 Uiso 1 1 calc R U . . .
H40B H 0.346191 0.666267 0.116284 0.063 Uiso 1 1 calc R U . . .
H40C H 0.426075 0.736739 0.122518 0.063 Uiso 1 1 calc R U . . .
C41 C 0.35397(15) 0.87785(9) 0.27365(8) 0.0219(4) Uani 1 1 d . . . . .
C42 C 0.45509(15) 0.89494(10) 0.25680(9) 0.0235(4) Uani 1 1 d . . . . .
C43 C 0.26272(16) 0.92650(11) 0.24963(10) 0.0305(4) Uani 1 1 d . . . . .
H43A H 0.290693 0.976299 0.234816 0.037 Uiso 1 1 calc R U . . .
H43B H 0.214238 0.936439 0.286208 0.037 Uiso 1 1 calc R U . . .
C44 C 0.20060(19) 0.89020(14) 0.19465(12) 0.0476(6) Uani 1 1 d . . . . .
H44A H 0.245185 0.887085 0.156016 0.071 Uiso 1 1 calc R U . . .
H44B H 0.138150 0.921346 0.185078 0.071 Uiso 1 1 calc R U . . .
H44C H 0.178364 0.838748 0.207361 0.071 Uiso 1 1 calc R U . . .
C45 C 0.48740(17) 0.95573(11) 0.20876(10) 0.0347(5) Uani 1 1 d . . . . .
H45A H 0.561293 0.970764 0.218089 0.042 Uiso 1 1 calc R U . . .
H45B H 0.442482 1.001284 0.215581 0.042 Uiso 1 1 calc R U . . .
C46 C 0.4795(2) 0.93236(14) 0.13772(11) 0.0468(6) Uani 1 1 d . . . . .
H46A H 0.520986 0.885861 0.130617 0.070 Uiso 1 1 calc R U . . .
H46B H 0.507059 0.973528 0.110408 0.070 Uiso 1 1 calc R U . . .
H46C H 0.405443 0.922662 0.126492 0.070 Uiso 1 1 calc R U . . .
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
N5 Al1 N1 120.12(7) . . ?
N5 Al1 C30 123.06(8) . . ?
N1 Al1 C30 108.23(7) . . ?
N5 Al1 N4 86.66(6) . . ?
N1 Al1 N4 123.30(7) . . ?
C30 Al1 N4 90.96(7) . . ?
C30 P1 N2 117.95(8) . . ?
C30 P1 N3 125.92(8) . . ?
N2 P1 N3 83.58(7) . . ?
C30 P1 C1 105.15(8) . . ?
N2 P1 C1 113.29(8) . . ?
N3 P1 C1 110.05(8) . . ?
N2 Si1 N3 83.21(7) . . ?
N2 Si1 C8 116.04(10) . . ?
N3 Si1 C8 116.81(9) . . ?
N2 Si1 C9 115.44(9) . . ?
N3 Si1 C9 116.75(9) . . ?
C8 Si1 C9 107.43(10) . . ?
C2 N1 C18 116.75(14) . . ?
C2 N1 Al1 113.88(11) . . ?
C18 N1 Al1 129.37(11) . . ?
C10 N2 P1 130.55(13) . . ?
C10 N2 Si1 131.99(12) . . ?
P1 N2 Si1 96.87(8) . . ?
C14 N3 P1 133.85(12) . . ?
C14 N3 Si1 129.83(12) . . ?
P1 N3 Si1 96.25(8) . . ?
C31 N4 C42 111.90(14) . . ?
C31 N4 C35 116.03(14) . . ?
C42 N4 C35 113.62(14) . . ?
C31 N4 Al1 105.08(11) . . ?
C42 N4 Al1 100.47(10) . . ?
C35 N4 Al1 108.05(11) . . ?
C32 N5 C38 117.99(15) . . ?
C32 N5 Al1 111.08(12) . . ?
C38 N5 Al1 125.75(12) . . ?
C2 C1 C6 105.57(14) . . ?
C2 C1 P1 130.19(13) . . ?
C6 C1 P1 124.15(13) . . ?
C1 C2 N1 131.27(15) . . ?
C1 C2 C3 106.89(15) . . ?
N1 C2 C3 121.41(15) . . ?
C2 C3 C7 101.06(14) . . ?
C2 C3 C4 105.56(15) . . ?
C7 C3 C4 101.11(16) . . ?
C2 C3 H3 115.7 . . ?
C7 C3 H3 115.7 . . ?
C4 C3 H3 115.7 . . ?
C5 C4 C3 102.78(16) . . ?
C5 C4 H4A 111.2 . . ?
C3 C4 H4A 111.2 . . ?
C5 C4 H4B 111.2 . . ?
C3 C4 H4B 111.2 . . ?
H4A C4 H4B 109.1 . . ?
C4 C5 C6 102.92(16) . . ?
C4 C5 H5A 111.2 . . ?
C6 C5 H5A 111.2 . . ?
C4 C5 H5B 111.2 . . ?
C6 C5 H5B 111.2 . . ?
H5A C5 H5B 109.1 . . ?
C1 C6 C7 101.14(15) . . ?
C1 C6 C5 108.31(15) . . ?
C7 C6 C5 99.60(16) . . ?
C1 C6 H6 115.3 . . ?
C7 C6 H6 115.3 . . ?
C5 C6 H6 115.3 . . ?
C3 C7 C6 93.42(14) . . ?
C3 C7 H7A 113.0 . . ?
C6 C7 H7A 113.0 . . ?
C3 C7 H7B 113.0 . . ?
C6 C7 H7B 113.0 . . ?
H7A C7 H7B 110.4 . . ?
Si1 C8 H8A 109.5 . . ?
Si1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N2 C10 C11 109.01(18) . . ?
N2 C10 C13 111.41(15) . . ?
C11 C10 C13 108.95(18) . . ?
N2 C10 C12 109.23(16) . . ?
C11 C10 C12 108.87(19) . . ?
C13 C10 C12 109.3(2) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N3 C14 C15 110.93(15) . . ?
N3 C14 C16 108.93(16) . . ?
C15 C14 C16 109.39(17) . . ?
N3 C14 C17 110.31(16) . . ?
C15 C14 C17 109.72(17) . . ?
C16 C14 C17 107.50(17) . . ?
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 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 118.99(17) . . ?
C23 C18 N1 120.64(16) . . ?
C19 C18 N1 120.34(16) . . ?
C20 C19 C18 118.77(19) . . ?
C20 C19 C24 117.56(18) . . ?
C18 C19 C24 123.63(18) . . ?
C21 C20 C19 122.1(2) . . ?
C21 C20 H20 119.0 . . ?
C19 C20 H20 119.0 . . ?
C22 C21 C20 119.1(2) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C21 C22 C23 121.5(2) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C22 C23 C18 119.38(19) . . ?
C22 C23 C27 118.02(18) . . ?
C18 C23 C27 122.52(17) . . ?
C19 C24 C26 113.49(19) . . ?
C19 C24 C25 110.73(19) . . ?
C26 C24 C25 108.45(18) . . ?
C19 C24 H24 108.0 . . ?
C26 C24 H24 108.0 . . ?
C25 C24 H24 108.0 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 C29 112.47(18) . . ?
C23 C27 C28 110.90(17) . . ?
C29 C27 C28 110.28(17) . . ?
C23 C27 H27 107.7 . . ?
C29 C27 H27 107.7 . . ?
C28 C27 H27 107.7 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C41 C30 P1 131.03(13) . . ?
C41 C30 Al1 104.68(12) . . ?
P1 C30 Al1 122.76(10) . . ?
C32 C31 N4 114.07(16) . . ?
C32 C31 C33 124.29(17) . . ?
N4 C31 C33 121.56(16) . . ?
C31 C32 N5 120.31(16) . . ?
C31 C32 C34 120.45(17) . . ?
N5 C32 C34 119.24(17) . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N4 C35 C37 110.70(16) . . ?
N4 C35 C36 116.50(17) . . ?
C37 C35 C36 111.79(18) . . ?
N4 C35 H35 105.6 . . ?
C37 C35 H35 105.6 . . ?
C36 C35 H35 105.6 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
N5 C38 C39 109.76(15) . . ?
N5 C38 C40 110.90(16) . . ?
C39 C38 C40 110.35(18) . . ?
N5 C38 H38 108.6 . . ?
C39 C38 H38 108.6 . . ?
C40 C38 H38 108.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C30 120.35(16) . . ?
C42 C41 C43 120.58(16) . . ?
C30 C41 C43 119.04(16) . . ?
C41 C42 N4 117.42(15) . . ?
C41 C42 C45 125.39(17) . . ?
N4 C42 C45 117.06(15) . . ?
C41 C43 C44 113.65(17) . . ?
C41 C43 H43A 108.8 . . ?
C44 C43 H43A 108.8 . . ?
C41 C43 H43B 108.8 . . ?
C44 C43 H43B 108.8 . . ?
H43A C43 H43B 107.7 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C45 C46 115.12(18) . . ?
C42 C45 H45A 108.5 . . ?
C46 C45 H45A 108.5 . . ?
C42 C45 H45B 108.5 . . ?
C46 C45 H45B 108.5 . . ?
H45A C45 H45B 107.5 . . ?
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 . . ?
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
Al1 N5 1.8503(15) . ?
Al1 N1 1.8855(15) . ?
Al1 C30 1.8949(18) . ?
Al1 N4 2.0257(15) . ?
P1 C30 1.6695(17) . ?
P1 N2 1.7203(15) . ?
P1 N3 1.7297(16) . ?
P1 C1 1.7736(17) . ?
Si1 N2 1.7277(17) . ?
Si1 N3 1.7350(16) . ?
Si1 C8 1.863(2) . ?
Si1 C9 1.866(2) . ?
N1 C2 1.388(2) . ?
N1 C18 1.448(2) . ?
N2 C10 1.475(2) . ?
N3 C14 1.486(2) . ?
N4 C31 1.483(2) . ?
N4 C42 1.507(2) . ?
N4 C35 1.520(2) . ?
N5 C32 1.397(2) . ?
N5 C38 1.467(2) . ?
C1 C2 1.378(2) . ?
C1 C6 1.535(2) . ?
C2 C3 1.529(2) . ?
C3 C7 1.534(3) . ?
C3 C4 1.549(3) . ?
C3 H3 1.0000 . ?
C4 C5 1.544(3) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.550(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.536(3) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.522(3) . ?
C10 C13 1.524(3) . ?
C10 C12 1.524(3) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.523(3) . ?
C14 C16 1.528(3) . ?
C14 C17 1.536(3) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.412(3) . ?
C18 C19 1.420(3) . ?
C19 C20 1.393(3) . ?
C19 C24 1.517(3) . ?
C20 C21 1.377(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.376(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.396(3) . ?
C22 H22 0.9500 . ?
C23 C27 1.512(3) . ?
C24 C26 1.535(3) . ?
C24 C25 1.539(3) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C29 1.528(3) . ?
C27 C28 1.534(3) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C41 1.463(2) . ?
C31 C32 1.345(3) . ?
C31 C33 1.509(3) . ?
C32 C34 1.509(3) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 C37 1.520(3) . ?
C35 C36 1.528(3) . ?
C35 H35 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.518(3) . ?
C38 C40 1.529(3) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.361(3) . ?
C41 C43 1.517(3) . ?
C42 C45 1.512(2) . ?
C43 C44 1.518(3) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.525(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
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
N5 Al1 N1 C2 -119.23(12) . . . . ?
C30 Al1 N1 C2 29.53(13) . . . . ?
N4 Al1 N1 C2 133.27(11) . . . . ?
N5 Al1 N1 C18 61.34(16) . . . . ?
C30 Al1 N1 C18 -149.90(14) . . . . ?
N4 Al1 N1 C18 -46.15(17) . . . . ?
C30 P1 N2 C10 -58.36(18) . . . . ?
N3 P1 N2 C10 174.15(17) . . . . ?
C1 P1 N2 C10 65.05(18) . . . . ?
C30 P1 N2 Si1 129.82(9) . . . . ?
N3 P1 N2 Si1 2.33(7) . . . . ?
C1 P1 N2 Si1 -106.77(9) . . . . ?
N3 Si1 N2 C10 -173.96(17) . . . . ?
C8 Si1 N2 C10 -57.39(19) . . . . ?
C9 Si1 N2 C10 69.60(19) . . . . ?
N3 Si1 N2 P1 -2.32(7) . . . . ?
C8 Si1 N2 P1 114.25(10) . . . . ?
C9 Si1 N2 P1 -118.77(10) . . . . ?
C30 P1 N3 C14 60.7(2) . . . . ?
N2 P1 N3 C14 -179.24(18) . . . . ?
C1 P1 N3 C14 -66.75(18) . . . . ?
C30 P1 N3 Si1 -122.38(9) . . . . ?
N2 P1 N3 Si1 -2.32(7) . . . . ?
C1 P1 N3 Si1 110.17(8) . . . . ?
N2 Si1 N3 C14 179.42(17) . . . . ?
C8 Si1 N3 C14 63.62(19) . . . . ?
C9 Si1 N3 C14 -65.46(18) . . . . ?
N2 Si1 N3 P1 2.31(7) . . . . ?
C8 Si1 N3 P1 -113.49(10) . . . . ?
C9 Si1 N3 P1 117.42(10) . . . . ?
N1 Al1 N5 C32 -114.58(12) . . . . ?
C30 Al1 N5 C32 101.41(14) . . . . ?
N4 Al1 N5 C32 12.43(12) . . . . ?
N1 Al1 N5 C38 91.62(15) . . . . ?
C30 Al1 N5 C38 -52.39(17) . . . . ?
N4 Al1 N5 C38 -141.37(15) . . . . ?
C30 P1 C1 C2 19.87(19) . . . . ?
N2 P1 C1 C2 -110.31(17) . . . . ?
N3 P1 C1 C2 158.11(16) . . . . ?
C30 P1 C1 C6 -164.13(14) . . . . ?
N2 P1 C1 C6 65.68(16) . . . . ?
N3 P1 C1 C6 -25.90(17) . . . . ?
C6 C1 C2 N1 171.44(17) . . . . ?
P1 C1 C2 N1 -12.0(3) . . . . ?
C6 C1 C2 C3 -0.94(18) . . . . ?
P1 C1 C2 C3 175.62(14) . . . . ?
C18 N1 C2 C1 162.85(18) . . . . ?
Al1 N1 C2 C1 -16.7(2) . . . . ?
C18 N1 C2 C3 -25.7(2) . . . . ?
Al1 N1 C2 C3 154.79(13) . . . . ?
C1 C2 C3 C7 -33.15(18) . . . . ?
N1 C2 C3 C7 153.55(16) . . . . ?
C1 C2 C3 C4 71.81(18) . . . . ?
N1 C2 C3 C4 -101.48(19) . . . . ?
C2 C3 C4 C5 -70.90(18) . . . . ?
C7 C3 C4 C5 34.03(18) . . . . ?
C3 C4 C5 C6 3.38(19) . . . . ?
C2 C1 C6 C7 34.70(18) . . . . ?
P1 C1 C6 C7 -142.12(14) . . . . ?
C2 C1 C6 C5 -69.43(19) . . . . ?
P1 C1 C6 C5 113.75(16) . . . . ?
C4 C5 C6 C1 65.69(19) . . . . ?
C4 C5 C6 C7 -39.51(18) . . . . ?
C2 C3 C7 C6 51.04(16) . . . . ?
C4 C3 C7 C6 -57.44(16) . . . . ?
C1 C6 C7 C3 -51.78(16) . . . . ?
C5 C6 C7 C3 59.20(16) . . . . ?
P1 N2 C10 C11 158.02(16) . . . . ?
Si1 N2 C10 C11 -32.9(2) . . . . ?
P1 N2 C10 C13 37.8(2) . . . . ?
Si1 N2 C10 C13 -153.20(16) . . . . ?
P1 N2 C10 C12 -83.1(2) . . . . ?
Si1 N2 C10 C12 85.9(2) . . . . ?
P1 N3 C14 C15 -12.8(2) . . . . ?
Si1 N3 C14 C15 171.20(13) . . . . ?
P1 N3 C14 C16 -133.24(17) . . . . ?
Si1 N3 C14 C16 50.7(2) . . . . ?
P1 N3 C14 C17 108.99(18) . . . . ?
Si1 N3 C14 C17 -67.0(2) . . . . ?
C2 N1 C18 C23 114.67(18) . . . . ?
Al1 N1 C18 C23 -65.9(2) . . . . ?
C2 N1 C18 C19 -67.2(2) . . . . ?
Al1 N1 C18 C19 112.23(17) . . . . ?
C23 C18 C19 C20 3.5(3) . . . . ?
N1 C18 C19 C20 -174.69(17) . . . . ?
C23 C18 C19 C24 -174.14(17) . . . . ?
N1 C18 C19 C24 7.7(3) . . . . ?
C18 C19 C20 C21 -0.5(3) . . . . ?
C24 C19 C20 C21 177.2(2) . . . . ?
C19 C20 C21 C22 -2.0(3) . . . . ?
C20 C21 C22 C23 1.5(3) . . . . ?
C21 C22 C23 C18 1.5(3) . . . . ?
C21 C22 C23 C27 -175.44(19) . . . . ?
C19 C18 C23 C22 -3.9(3) . . . . ?
N1 C18 C23 C22 174.23(16) . . . . ?
C19 C18 C23 C27 172.81(17) . . . . ?
N1 C18 C23 C27 -9.0(3) . . . . ?
C20 C19 C24 C26 61.2(3) . . . . ?
C18 C19 C24 C26 -121.2(2) . . . . ?
C20 C19 C24 C25 -61.1(2) . . . . ?
C18 C19 C24 C25 116.6(2) . . . . ?
C22 C23 C27 C29 -56.4(2) . . . . ?
C18 C23 C27 C29 126.82(19) . . . . ?
C22 C23 C27 C28 67.6(2) . . . . ?
C18 C23 C27 C28 -109.2(2) . . . . ?
N2 P1 C30 C41 -35.5(2) . . . . ?
N3 P1 C30 C41 67.7(2) . . . . ?
C1 P1 C30 C41 -162.90(17) . . . . ?
N2 P1 C30 Al1 128.18(11) . . . . ?
N3 P1 C30 Al1 -128.63(11) . . . . ?
C1 P1 C30 Al1 0.78(13) . . . . ?
N5 Al1 C30 C41 -66.51(14) . . . . ?
N1 Al1 C30 C41 145.84(11) . . . . ?
N4 Al1 C30 C41 20.14(12) . . . . ?
N5 Al1 C30 P1 126.15(11) . . . . ?
N1 Al1 C30 P1 -21.49(13) . . . . ?
N4 Al1 C30 P1 -147.20(11) . . . . ?
C42 N4 C31 C32 -93.27(18) . . . . ?
C35 N4 C31 C32 134.13(17) . . . . ?
Al1 N4 C31 C32 14.87(18) . . . . ?
C42 N4 C31 C33 83.8(2) . . . . ?
C35 N4 C31 C33 -48.8(2) . . . . ?
Al1 N4 C31 C33 -168.09(15) . . . . ?
N4 C31 C32 N5 -6.4(3) . . . . ?
C33 C31 C32 N5 176.67(18) . . . . ?
N4 C31 C32 C34 174.51(17) . . . . ?
C33 C31 C32 C34 -2.4(3) . . . . ?
C38 N5 C32 C31 149.11(18) . . . . ?
Al1 N5 C32 C31 -7.0(2) . . . . ?
C38 N5 C32 C34 -31.8(2) . . . . ?
Al1 N5 C32 C34 172.16(15) . . . . ?
C31 N4 C35 C37 -35.5(2) . . . . ?
C42 N4 C35 C37 -167.31(15) . . . . ?
Al1 N4 C35 C37 82.13(16) . . . . ?
C31 N4 C35 C36 93.7(2) . . . . ?
C42 N4 C35 C36 -38.1(2) . . . . ?
Al1 N4 C35 C36 -148.69(16) . . . . ?
C32 N5 C38 C39 168.38(16) . . . . ?
Al1 N5 C38 C39 -39.4(2) . . . . ?
C32 N5 C38 C40 -69.4(2) . . . . ?
Al1 N5 C38 C40 82.76(19) . . . . ?
P1 C30 C41 C42 151.83(16) . . . . ?
Al1 C30 C41 C42 -14.0(2) . . . . ?
P1 C30 C41 C43 -30.2(3) . . . . ?
Al1 C30 C41 C43 163.96(14) . . . . ?
C30 C41 C42 N4 -4.6(3) . . . . ?
C43 C41 C42 N4 177.43(16) . . . . ?
C30 C41 C42 C45 171.12(18) . . . . ?
C43 C41 C42 C45 -6.8(3) . . . . ?
C31 N4 C42 C41 130.11(17) . . . . ?
C35 N4 C42 C41 -96.10(19) . . . . ?
Al1 N4 C42 C41 19.04(18) . . . . ?
C31 N4 C42 C45 -46.0(2) . . . . ?
C35 N4 C42 C45 87.81(19) . . . . ?
Al1 N4 C42 C45 -157.06(14) . . . . ?
C42 C41 C43 C44 103.4(2) . . . . ?
C30 C41 C43 C44 -74.6(2) . . . . ?
C41 C42 C45 C46 -80.8(2) . . . . ?
N4 C42 C45 C46 94.9(2) . . . . ?
