#------------------------------------------------------------------------------
#$Date: 2025-07-01 01:12:39 +0300 (Tue, 01 Jul 2025) $
#$Revision: 300267 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/49/1574958.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_1574958
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            'C75 H130 Al2 N6 P2 Si2'
_chemical_formula_weight         1287.92
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_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                91.039(2)
_cell_angle_beta                 104.121(2)
_cell_angle_gamma                105.729(2)
_cell_formula_units_Z            1
_cell_length_a                   10.4696(7)
_cell_length_b                   10.7334(7)
_cell_length_c                   19.3518(13)
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.60
_cell_volume                     2021.7(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_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 0.998
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker D8-Venture Photon III-C14 detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0714
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            73223
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.415
_diffrn_reflns_theta_min         2.597
_diffrn_source                   'Fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6995
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.058
_exptl_crystal_description       plate
_exptl_crystal_F_000             706
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     500
_refine_ls_number_reflns         10097
_refine_ls_number_restraints     347
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0877
_refine_ls_R_factor_gt           0.0572
_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)+(0.0951P)²+0.7759P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1532
_refine_ls_wR_factor_ref         0.1758
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7110
_reflns_number_total             10097
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5sc03846d2.cif
_cod_data_source_block           1
_cod_database_code               1574958
_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   0.944
_shelx_estimated_absorpt_t_max   0.994
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.41627(6) 0.46112(5) 0.69226(3) 0.02913(15) Uani 1 1 d . . . . .
P1 P 0.41550(5) 0.68428(5) 0.71166(3) 0.02853(13) Uani 1 1 d . . . . .
Si1 Si 0.38592(7) 0.88383(6) 0.64839(3) 0.03463(15) Uani 1 1 d . . . . .
N1 N 0.44550(18) 0.45097(15) 0.79192(8) 0.0298(3) Uani 1 1 d . . . . .
N2 N 0.51747(18) 0.81614(16) 0.68547(10) 0.0367(4) Uani 1 1 d . . . . .
N3 N 0.28406(18) 0.74460(17) 0.67411(9) 0.0332(4) Uani 1 1 d . . . . .
C1 C 0.4435(3) 0.6775(2) 0.80277(11) 0.0433(5) Uani 1 1 d D U . . .
C2 C 0.4531(2) 0.56084(19) 0.82954(10) 0.0327(4) Uani 1 1 d D U . . .
C3 C 0.4596(9) 0.5726(8) 0.9093(4) 0.0384(15) Uani 0.507(5) 1 d D U P A 1
H3 H 0.443582 0.489219 0.932469 0.046 Uiso 0.507(5) 1 calc R U P A 1
C4 C 0.5975(6) 0.6745(5) 0.9416(3) 0.0445(11) Uani 0.507(5) 1 d D U P A 1
H4A H 0.621120 0.679778 0.994576 0.053 Uiso 0.507(5) 1 calc R U P A 1
H4B H 0.672268 0.654049 0.924915 0.053 Uiso 0.507(5) 1 calc R U P A 1
C5 C 0.5731(5) 0.8008(5) 0.9144(3) 0.0451(11) Uani 0.507(5) 1 d D U P A 1
H5A H 0.638758 0.840883 0.886398 0.054 Uiso 0.507(5) 1 calc R U P A 1
H5B H 0.582055 0.863792 0.954510 0.054 Uiso 0.507(5) 1 calc R U P A 1
C6 C 0.4261(6) 0.7577(5) 0.8671(3) 0.0376(11) Uani 0.507(5) 1 d D U P A 1
H6 H 0.380864 0.828053 0.854280 0.045 Uiso 0.507(5) 1 calc R U P A 1
C7 C 0.3577(8) 0.6524(6) 0.9116(4) 0.0413(13) Uani 0.507(5) 1 d D U P A 1
H7A H 0.364410 0.686683 0.960572 0.050 Uiso 0.507(5) 1 calc R U P A 1
H7B H 0.261350 0.605109 0.887062 0.050 Uiso 0.507(5) 1 calc R U P A 1
C3' C 0.4910(10) 0.5889(8) 0.9106(4) 0.0409(16) Uani 0.493(5) 1 d D U P A 2
H3' H 0.527097 0.523301 0.939163 0.049 Uiso 0.493(5) 1 calc R U P A 2
C4' C 0.3611(8) 0.6125(7) 0.9246(4) 0.0452(14) Uani 0.493(5) 1 d D U P A 2
H4C H 0.365792 0.615493 0.976313 0.054 Uiso 0.493(5) 1 calc R U P A 2
H4D H 0.278034 0.543682 0.898628 0.054 Uiso 0.493(5) 1 calc R U P A 2
C5' C 0.3603(6) 0.7471(5) 0.8955(3) 0.0457(12) Uani 0.493(5) 1 d D U P A 2
H5C H 0.275748 0.740271 0.857290 0.055 Uiso 0.493(5) 1 calc R U P A 2
H5D H 0.368103 0.812382 0.934274 0.055 Uiso 0.493(5) 1 calc R U P A 2
C6' C 0.4889(6) 0.7822(5) 0.8658(3) 0.0369(11) Uani 0.493(5) 1 d D U P A 2
H6' H 0.523282 0.874382 0.855368 0.044 Uiso 0.493(5) 1 calc R U P A 2
C7' C 0.5882(5) 0.7289(5) 0.9225(3) 0.0388(10) Uani 0.493(5) 1 d D U P A 2
H7C H 0.675988 0.734682 0.910342 0.047 Uiso 0.493(5) 1 calc R U P A 2
H7D H 0.605773 0.769845 0.971476 0.047 Uiso 0.493(5) 1 calc R U P A 2
C8 C 0.3943(3) 1.0392(2) 0.69481(14) 0.0565(7) Uani 1 1 d . . . . .
H8A H 0.304271 1.055575 0.680708 0.085 Uiso 1 1 calc R U . . .
H8B H 0.462963 1.110152 0.681648 0.085 Uiso 1 1 calc R U . . .
H8C H 0.420250 1.034252 0.746668 0.085 Uiso 1 1 calc R U . . .
C9 C 0.3532(3) 0.8996(3) 0.55086(13) 0.0538(6) Uani 1 1 d . . . . .
H9A H 0.355488 0.819832 0.526344 0.081 Uiso 1 1 calc R U . . .
H9B H 0.424122 0.973504 0.541801 0.081 Uiso 1 1 calc R U . . .
H9C H 0.262769 0.913777 0.532881 0.081 Uiso 1 1 calc R U . . .
C10 C 0.6681(2) 0.8585(2) 0.69883(15) 0.0480(6) Uani 1 1 d D U . . .
C11 C 0.6888(13) 0.846(2) 0.6260(6) 0.078(3) Uani 0.331(12) 1 d D U P B 1
H11A H 0.648632 0.754899 0.605806 0.117 Uiso 0.331(12) 1 calc R U P B 1
H11B H 0.787343 0.871957 0.628901 0.117 Uiso 0.331(12) 1 calc R U P B 1
H11C H 0.644045 0.901299 0.595243 0.117 Uiso 0.331(12) 1 calc R U P B 1
C12 C 0.7175(19) 0.9905(13) 0.7372(12) 0.095(4) Uani 0.331(12) 1 d D U P B 1
H12A H 0.696368 1.053819 0.703671 0.143 Uiso 0.331(12) 1 calc R U P B 1
H12B H 0.817031 1.012682 0.757780 0.143 Uiso 0.331(12) 1 calc R U P B 1
H12C H 0.671688 0.992139 0.775640 0.143 Uiso 0.331(12) 1 calc R U P B 1
C13 C 0.7254(12) 0.7594(13) 0.7451(6) 0.053(2) Uani 0.331(12) 1 d D U P B 1
H13A H 0.707121 0.764330 0.792268 0.080 Uiso 0.331(12) 1 calc R U P B 1
H13B H 0.824741 0.779945 0.750861 0.080 Uiso 0.331(12) 1 calc R U P B 1
H13C H 0.680620 0.671420 0.721519 0.080 Uiso 0.331(12) 1 calc R U P B 1
C11' C 0.7312(7) 0.7487(7) 0.7112(7) 0.089(2) Uani 0.669(12) 1 d D U P B 2
H11D H 0.695518 0.696377 0.746947 0.134 Uiso 0.669(12) 1 calc R U P B 2
H11E H 0.831251 0.783571 0.728510 0.134 Uiso 0.669(12) 1 calc R U P B 2
H11F H 0.708321 0.694204 0.666228 0.134 Uiso 0.669(12) 1 calc R U P B 2
C12' C 0.7093(6) 0.9370(10) 0.6378(3) 0.094(2) Uani 0.669(12) 1 d D U P B 2
H12D H 0.652050 0.891522 0.591606 0.141 Uiso 0.669(12) 1 calc R U P B 2
H12E H 0.806117 0.946067 0.640403 0.141 Uiso 0.669(12) 1 calc R U P B 2
H12F H 0.695950 1.023353 0.642550 0.141 Uiso 0.669(12) 1 calc R U P B 2
C13' C 0.7302(8) 0.9576(7) 0.7673(3) 0.0679(17) Uani 0.669(12) 1 d D U P B 2
H13D H 0.680346 1.023427 0.763817 0.102 Uiso 0.669(12) 1 calc R U P B 2
H13E H 0.827432 1.000000 0.770958 0.102 Uiso 0.669(12) 1 calc R U P B 2
H13F H 0.721643 0.911374 0.809888 0.102 Uiso 0.669(12) 1 calc R U P B 2
C14 C 0.1359(2) 0.6777(3) 0.65488(13) 0.0458(5) Uani 1 1 d . . . . .
C15 C 0.0983(3) 0.5872(4) 0.7085(2) 0.0940(14) Uani 1 1 d . . . . .
H15A H 0.151226 0.523859 0.712799 0.141 Uiso 1 1 calc R U . . .
H15B H -0.000039 0.541591 0.693114 0.141 Uiso 1 1 calc R U . . .
H15C H 0.118934 0.636496 0.754931 0.141 Uiso 1 1 calc R U . . .
C16 C 0.0990(3) 0.5984(3) 0.58171(17) 0.0688(8) Uani 1 1 d . . . . .
H16A H 0.121346 0.657233 0.545498 0.103 Uiso 1 1 calc R U . . .
H16B H 0.000602 0.552765 0.567941 0.103 Uiso 1 1 calc R U . . .
H16C H 0.151771 0.534965 0.585316 0.103 Uiso 1 1 calc R U . . .
C17 C 0.0603(3) 0.7806(4) 0.6458(2) 0.0789(10) Uani 1 1 d . . . . .
H17A H 0.079539 0.830508 0.691881 0.118 Uiso 1 1 calc R U . . .
H17B H -0.038673 0.738880 0.628442 0.118 Uiso 1 1 calc R U . . .
H17C H 0.091151 0.839099 0.611065 0.118 Uiso 1 1 calc R U . . .
C18 C 0.4612(2) 0.34003(18) 0.82997(10) 0.0310(4) Uani 1 1 d . . . . .
C19 C 0.5920(2) 0.3211(2) 0.85278(12) 0.0375(5) Uani 1 1 d . . . . .
C20 C 0.6033(3) 0.2111(2) 0.88813(13) 0.0458(6) Uani 1 1 d . . . . .
H20 H 0.690658 0.195816 0.903328 0.055 Uiso 1 1 calc R U . . .
C21 C 0.4899(3) 0.1237(2) 0.90155(12) 0.0487(6) Uani 1 1 d . . . . .
H21 H 0.500035 0.049579 0.926002 0.058 Uiso 1 1 calc R U . . .
C22 C 0.3634(3) 0.1439(2) 0.87965(12) 0.0457(6) Uani 1 1 d . . . . .
H22 H 0.286212 0.083096 0.889062 0.055 Uiso 1 1 calc R U . . .
C23 C 0.3452(2) 0.2520(2) 0.84371(11) 0.0373(5) Uani 1 1 d . . . . .
C24 C 0.7192(3) 0.4158(3) 0.84027(16) 0.0521(6) Uani 1 1 d . . . . .
H24 H 0.693364 0.494436 0.821962 0.063 Uiso 1 1 calc R U . . .
C25 C 0.7694(3) 0.3572(4) 0.78340(19) 0.0745(9) Uani 1 1 d . . . . .
H25A H 0.795787 0.279801 0.800079 0.112 Uiso 1 1 calc R U . . .
H25B H 0.849041 0.421159 0.774506 0.112 Uiso 1 1 calc R U . . .
H25C H 0.695702 0.332814 0.739030 0.112 Uiso 1 1 calc R U . . .
C26 C 0.8356(4) 0.4602(4) 0.9095(2) 0.0853(11) Uani 1 1 d . . . . .
H26A H 0.802289 0.498383 0.945431 0.128 Uiso 1 1 calc R U . . .
H26B H 0.913240 0.525162 0.899346 0.128 Uiso 1 1 calc R U . . .
H26C H 0.865421 0.385255 0.927625 0.128 Uiso 1 1 calc R U . . .
C27 C 0.2035(3) 0.2716(3) 0.82056(15) 0.0522(6) Uani 1 1 d . . . . .
H27 H 0.214374 0.359833 0.802872 0.063 Uiso 1 1 calc R U . . .
C28 C 0.1348(4) 0.2671(5) 0.8815(2) 0.0934(12) Uani 1 1 d . . . . .
H28A H 0.110751 0.178155 0.895477 0.140 Uiso 1 1 calc R U . . .
H28B H 0.051288 0.294903 0.865869 0.140 Uiso 1 1 calc R U . . .
H28C H 0.198010 0.325433 0.922513 0.140 Uiso 1 1 calc R U . . .
C29 C 0.1113(4) 0.1732(5) 0.7592(2) 0.0985(14) Uani 1 1 d . . . . .
H29A H 0.148086 0.187095 0.717059 0.148 Uiso 1 1 calc R U . . .
H29B H 0.018596 0.183712 0.747807 0.148 Uiso 1 1 calc R U . . .
H29C H 0.107801 0.085144 0.772963 0.148 Uiso 1 1 calc R U . . .
C30 C 0.3261(3) 0.3410(2) 0.61028(12) 0.0425(5) Uani 1 1 d . . . . .
C31 C 0.4647(3) 0.3765(2) 0.62119(12) 0.0409(5) Uani 1 1 d . . . . .
C32 C 0.2182(3) 0.2537(3) 0.55025(16) 0.0702(9) Uani 1 1 d . . . . .
H32A H 0.200284 0.305761 0.509163 0.084 Uiso 1 1 calc R U . . .
H32B H 0.256312 0.185859 0.535201 0.084 Uiso 1 1 calc R U . . .
C33 C 0.0857(4) 0.1885(4) 0.5651(2) 0.0890(12) Uani 1 1 d . . . . .
H33A H 0.098858 0.125713 0.600342 0.133 Uiso 1 1 calc R U . . .
H33B H 0.020168 0.143157 0.520750 0.133 Uiso 1 1 calc R U . . .
H33C H 0.049824 0.253451 0.584053 0.133 Uiso 1 1 calc R U . . .
C34 C 0.5494(3) 0.3350(3) 0.57732(16) 0.0597(7) Uani 1 1 d . . . . .
H34A H 0.583125 0.263865 0.599863 0.072 Uiso 1 1 calc R U . . .
H34B H 0.489606 0.299827 0.529069 0.072 Uiso 1 1 calc R U . . .
C35 C 0.6698(4) 0.4417(4) 0.5696(2) 0.0912(13) Uani 1 1 d . . . . .
H35A H 0.637096 0.506295 0.540714 0.137 Uiso 1 1 calc R U . . .
H35B H 0.726334 0.405436 0.545987 0.137 Uiso 1 1 calc R U . . .
H35C H 0.724825 0.483126 0.617014 0.137 Uiso 1 1 calc R U . . .
C36 C 0.1029(12) 0.8257(11) 0.9377(8) 0.121(4) Uani 0.5 1 d D U P C -1
H36A H 0.190911 0.890699 0.941038 0.182 Uiso 0.5 1 calc R U P C -1
H36B H 0.077446 0.767973 0.893758 0.182 Uiso 0.5 1 calc R U P C -1
H36C H 0.111501 0.774603 0.979211 0.182 Uiso 0.5 1 calc R U P C -1
C37 C -0.0028(12) 0.8910(12) 0.9366(7) 0.111(3) Uani 0.5 1 d D U P C -1
H37A H -0.089882 0.825242 0.936569 0.133 Uiso 0.5 1 calc R U P C -1
H37B H -0.018294 0.934282 0.891822 0.133 Uiso 0.5 1 calc R U P C -1
C38 C 0.0345(10) 0.9910(11) 0.9997(7) 0.091(3) Uani 0.5 1 d D U P C -1
H38A H 0.051086 0.948517 1.044713 0.110 Uiso 0.5 1 calc R U P C -1
H38B H 0.120416 1.058249 0.999419 0.110 Uiso 0.5 1 calc R U P C -1
C39 C -0.0758(12) 1.0530(13) 0.9971(7) 0.103(3) Uani 0.5 1 d D U P C -1
H39A H -0.159730 0.986567 1.001008 0.123 Uiso 0.5 1 calc R U P C -1
H39B H -0.097197 1.089457 0.950475 0.123 Uiso 0.5 1 calc R U P C -1
C40 C -0.0364(15) 1.1583(15) 1.0557(11) 0.141(5) Uani 0.5 1 d D U P C -1
H40A H -0.063401 1.122021 1.097861 0.212 Uiso 0.5 1 calc R U P C -1
H40B H -0.082943 1.224600 1.040044 0.212 Uiso 0.5 1 calc R U P C -1
H40C H 0.063310 1.197747 1.067997 0.212 Uiso 0.5 1 calc R U P C -1
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'
Al Al 0.0645 0.0514 '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'
P P 0.1023 0.0942 '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'
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
C31 Al1 N1 133.01(9) . . ?
C31 Al1 C30 42.16(11) . . ?
N1 Al1 C30 134.78(9) . . ?
C31 Al1 P1 131.54(8) . . ?
N1 Al1 P1 88.06(5) . . ?
C30 Al1 P1 129.20(8) . . ?
N3 P1 N2 85.99(9) . . ?
N3 P1 C1 114.12(10) . . ?
N2 P1 C1 115.24(11) . . ?
N3 P1 Al1 124.84(7) . . ?
N2 P1 Al1 126.07(7) . . ?
C1 P1 Al1 92.69(7) . . ?
N2 Si1 N3 83.03(8) . . ?
N2 Si1 C8 115.39(12) . . ?
N3 Si1 C8 115.50(11) . . ?
N2 Si1 C9 116.01(11) . . ?
N3 Si1 C9 116.04(11) . . ?
C8 Si1 C9 109.11(12) . . ?
C2 N1 C18 118.54(16) . . ?
C2 N1 Al1 114.94(13) . . ?
C18 N1 Al1 126.52(12) . . ?
C10 N2 P1 129.41(16) . . ?
C10 N2 Si1 134.80(15) . . ?
P1 N2 Si1 95.49(9) . . ?
C14 N3 P1 128.28(15) . . ?
C14 N3 Si1 134.37(15) . . ?
P1 N3 Si1 95.45(9) . . ?
C2 C1 C6' 108.4(3) . . ?
C2 C1 C6 103.9(2) . . ?
C2 C1 P1 117.40(15) . . ?
C6' C1 P1 133.0(2) . . ?
C6 C1 P1 136.6(2) . . ?
N1 C2 C1 126.90(18) . . ?
N1 C2 C3' 127.7(4) . . ?
C1 C2 C3' 105.0(4) . . ?
N1 C2 C3 124.8(4) . . ?
C1 C2 C3 108.0(4) . . ?
C2 C3 C4 103.5(6) . . ?
C2 C3 C7 102.3(5) . . ?
C4 C3 C7 101.2(6) . . ?
C2 C3 H3 115.9 . . ?
C4 C3 H3 115.9 . . ?
C7 C3 H3 115.9 . . ?
C5 C4 C3 103.6(5) . . ?
C5 C4 H4A 111.0 . . ?
C3 C4 H4A 111.0 . . ?
C5 C4 H4B 111.0 . . ?
C3 C4 H4B 111.0 . . ?
H4A C4 H4B 109.0 . . ?
C4 C5 C6 103.5(4) . . ?
C4 C5 H5A 111.1 . . ?
C6 C5 H5A 111.1 . . ?
C4 C5 H5B 111.1 . . ?
C6 C5 H5B 111.1 . . ?
H5A C5 H5B 109.0 . . ?
C5 C6 C7 100.4(5) . . ?
C5 C6 C1 101.2(4) . . ?
C7 C6 C1 104.4(4) . . ?
C5 C6 H6 116.2 . . ?
C7 C6 H6 116.2 . . ?
C1 C6 H6 116.2 . . ?
C3 C7 C6 92.6(5) . . ?
C3 C7 H7A 113.2 . . ?
C6 C7 H7A 113.2 . . ?
C3 C7 H7B 113.2 . . ?
C6 C7 H7B 113.2 . . ?
H7A C7 H7B 110.5 . . ?
C2 C3' C4' 103.1(6) . . ?
C2 C3' C7' 102.6(5) . . ?
C4' C3' C7' 101.1(6) . . ?
C2 C3' H3' 116.0 . . ?
C4' C3' H3' 116.0 . . ?
C7' C3' H3' 116.0 . . ?
C3' C4' C5' 103.8(6) . . ?
C3' C4' H4C 111.0 . . ?
C5' C4' H4C 111.0 . . ?
C3' C4' H4D 111.0 . . ?
C5' C4' H4D 111.0 . . ?
H4C C4' H4D 109.0 . . ?
C6' C5' C4' 102.7(5) . . ?
C6' C5' H5C 111.2 . . ?
C4' C5' H5C 111.2 . . ?
C6' C5' H5D 111.2 . . ?
C4' C5' H5D 111.2 . . ?
H5C C5' H5D 109.1 . . ?
C1 C6' C5' 100.4(4) . . ?
C1 C6' C7' 102.2(4) . . ?
C5' C6' C7' 100.3(4) . . ?
C1 C6' H6' 117.0 . . ?
C5' C6' H6' 117.0 . . ?
C7' C6' H6' 117.0 . . ?
C3' C7' C6' 94.1(5) . . ?
C3' C7' H7C 112.9 . . ?
C6' C7' H7C 112.9 . . ?
C3' C7' H7D 112.9 . . ?
C6' C7' H7D 112.9 . . ?
H7C C7' H7D 110.3 . . ?
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 C12 107.3(7) . . ?
N2 C10 C11 102.9(6) . . ?
C12 C10 C11 117.5(9) . . ?
N2 C10 C11' 113.0(3) . . ?
N2 C10 C12' 110.0(3) . . ?
C11' C10 C12' 112.1(5) . . ?
N2 C10 C13 107.6(5) . . ?
C12 C10 C13 111.4(9) . . ?
C11 C10 C13 109.4(6) . . ?
N2 C10 C13' 108.9(3) . . ?
C11' C10 C13' 107.8(5) . . ?
C12' C10 C13' 104.6(4) . . ?
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 . . ?
C10 C11' H11D 109.5 . . ?
C10 C11' H11E 109.5 . . ?
H11D C11' H11E 109.5 . . ?
C10 C11' H11F 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C10 C12' H12D 109.5 . . ?
C10 C12' H12E 109.5 . . ?
H12D C12' H12E 109.5 . . ?
C10 C12' H12F 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C10 C13' H13D 109.5 . . ?
C10 C13' H13E 109.5 . . ?
H13D C13' H13E 109.5 . . ?
C10 C13' H13F 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
N3 C14 C15 111.5(2) . . ?
N3 C14 C17 107.7(2) . . ?
C15 C14 C17 113.0(3) . . ?
N3 C14 C16 108.1(2) . . ?
C15 C14 C16 108.6(3) . . ?
C17 C14 C16 107.8(2) . . ?
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 . . ?
C19 C18 C23 121.05(19) . . ?
C19 C18 N1 119.45(18) . . ?
C23 C18 N1 119.51(19) . . ?
C20 C19 C18 118.0(2) . . ?
C20 C19 C24 119.7(2) . . ?
C18 C19 C24 122.24(19) . . ?
C21 C20 C19 121.4(2) . . ?
C21 C20 H20 119.3 . . ?
C19 C20 H20 119.3 . . ?
C22 C21 C20 120.0(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 121.4(2) . . ?
C21 C22 H22 119.3 . . ?
C23 C22 H22 119.3 . . ?
C22 C23 C18 118.1(2) . . ?
C22 C23 C27 119.9(2) . . ?
C18 C23 C27 121.94(19) . . ?
C19 C24 C25 110.7(2) . . ?
C19 C24 C26 112.4(2) . . ?
C25 C24 C26 110.3(3) . . ?
C19 C24 H24 107.8 . . ?
C25 C24 H24 107.8 . . ?
C26 C24 H24 107.8 . . ?
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 111.3(3) . . ?
C23 C27 C28 112.9(2) . . ?
C29 C27 C28 109.9(3) . . ?
C23 C27 H27 107.5 . . ?
C29 C27 H27 107.5 . . ?
C28 C27 H27 107.5 . . ?
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 . . ?
C31 C30 C32 128.7(2) . . ?
C31 C30 Al1 68.02(13) . . ?
C32 C30 Al1 163.0(2) . . ?
C30 C31 C34 128.9(2) . . ?
C30 C31 Al1 69.82(13) . . ?
C34 C31 Al1 161.3(2) . . ?
C33 C32 C30 116.8(3) . . ?
C33 C32 H32A 108.1 . . ?
C30 C32 H32A 108.1 . . ?
C33 C32 H32B 108.1 . . ?
C30 C32 H32B 108.1 . . ?
H32A C32 H32B 107.3 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 C31 114.1(2) . . ?
C35 C34 H34A 108.7 . . ?
C31 C34 H34A 108.7 . . ?
C35 C34 H34B 108.7 . . ?
C31 C34 H34B 108.7 . . ?
H34A C34 H34B 107.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 H36A 109.5 . . ?
C37 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C37 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C36 C37 C38 112.9(10) . . ?
C36 C37 H37A 109.0 . . ?
C38 C37 H37A 109.0 . . ?
C36 C37 H37B 109.0 . . ?
C38 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
C39 C38 C37 111.1(8) . . ?
C39 C38 H38A 109.4 . . ?
C37 C38 H38A 109.4 . . ?
C39 C38 H38B 109.4 . . ?
C37 C38 H38B 109.4 . . ?
H38A C38 H38B 108.0 . . ?
C38 C39 C40 111.7(9) . . ?
C38 C39 H39A 109.3 . . ?
C40 C39 H39A 109.3 . . ?
C38 C39 H39B 109.3 . . ?
C40 C39 H39B 109.3 . . ?
H39A C39 H39B 107.9 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 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 C31 1.876(2) . ?
Al1 N1 1.8875(17) . ?
Al1 C30 1.899(2) . ?
Al1 P1 2.4202(8) . ?
P1 N3 1.6891(17) . ?
P1 N2 1.6943(18) . ?
P1 C1 1.722(2) . ?
Si1 N2 1.7375(19) . ?
Si1 N3 1.7436(18) . ?
Si1 C8 1.850(2) . ?
Si1 C9 1.853(2) . ?
N1 C2 1.348(2) . ?
N1 C18 1.437(2) . ?
N2 C10 1.473(3) . ?
N3 C14 1.472(3) . ?
C1 C2 1.383(3) . ?
C1 C6' 1.534(5) . ?
C1 C6 1.575(5) . ?
C2 C3' 1.525(8) . ?
C2 C3 1.530(8) . ?
C3 C4 1.533(9) . ?
C3 C7 1.546(10) . ?
C3 H3 1.0000 . ?
C4 C5 1.526(7) . ?
C4 H4A 0.9900 . ?
C4 H4B 0.9900 . ?
C5 C6 1.527(7) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.558(8) . ?
C6 H6 1.0000 . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C3' C4' 1.532(12) . ?
C3' C7' 1.547(9) . ?
C3' H3' 1.0000 . ?
C4' C5' 1.561(7) . ?
C4' H4C 0.9900 . ?
C4' H4D 0.9900 . ?
C5' C6' 1.548(7) . ?
C5' H5C 0.9900 . ?
C5' H5D 0.9900 . ?
C6' C7' 1.548(7) . ?
C6' H6' 1.0000 . ?
C7' H7C 0.9900 . ?
C7' H7D 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 C12 1.485(13) . ?
C10 C11 1.487(10) . ?
C10 C11' 1.496(7) . ?
C10 C12' 1.543(6) . ?
C10 C13 1.553(11) . ?
C10 C13' 1.570(6) . ?
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 . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C13' H13D 0.9800 . ?
C13' H13E 0.9800 . ?
C13' H13F 0.9800 . ?
C14 C15 1.484(4) . ?
C14 C17 1.513(4) . ?
C14 C16 1.546(4) . ?
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 C19 1.404(3) . ?
C18 C23 1.408(3) . ?
C19 C20 1.393(3) . ?
C19 C24 1.516(3) . ?
C20 C21 1.382(4) . ?
C20 H20 0.9500 . ?
C21 C22 1.366(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.397(3) . ?
C22 H22 0.9500 . ?
C23 C27 1.514(3) . ?
C24 C25 1.523(4) . ?
C24 C26 1.540(4) . ?
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 1.517(4) . ?
C27 C28 1.520(4) . ?
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 C31 1.358(3) . ?
C30 C32 1.500(3) . ?
C31 C34 1.508(3) . ?
C32 C33 1.474(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.496(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.458(13) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.513(13) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.473(11) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 C40 1.486(15) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 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
C31 Al1 N1 C2 151.21(16) . . . . ?
C30 Al1 N1 C2 -148.95(17) . . . . ?
P1 Al1 N1 C2 0.07(15) . . . . ?
C31 Al1 N1 C18 -28.1(2) . . . . ?
C30 Al1 N1 C18 31.7(2) . . . . ?
P1 Al1 N1 C18 -179.27(17) . . . . ?
N3 P1 N2 C10 175.9(2) . . . . ?
C1 P1 N2 C10 61.1(2) . . . . ?
Al1 P1 N2 C10 -52.9(2) . . . . ?
N3 P1 N2 Si1 1.53(9) . . . . ?
C1 P1 N2 Si1 -113.29(11) . . . . ?
Al1 P1 N2 Si1 132.65(6) . . . . ?
N3 Si1 N2 C10 -175.4(2) . . . . ?
C8 Si1 N2 C10 -60.4(3) . . . . ?
C9 Si1 N2 C10 69.0(3) . . . . ?
N3 Si1 N2 P1 -1.49(9) . . . . ?
C8 Si1 N2 P1 113.48(12) . . . . ?
C9 Si1 N2 P1 -117.12(12) . . . . ?
N2 P1 N3 C14 164.41(19) . . . . ?
C1 P1 N3 C14 -79.7(2) . . . . ?
Al1 P1 N3 C14 32.3(2) . . . . ?
N2 P1 N3 Si1 -1.52(9) . . . . ?
C1 P1 N3 Si1 114.39(11) . . . . ?
Al1 P1 N3 Si1 -133.63(6) . . . . ?
N2 Si1 N3 C14 -163.0(2) . . . . ?
C8 Si1 N3 C14 82.1(2) . . . . ?
C9 Si1 N3 C14 -47.4(2) . . . . ?
N2 Si1 N3 P1 1.49(9) . . . . ?
C8 Si1 N3 P1 -113.36(12) . . . . ?
C9 Si1 N3 P1 117.09(12) . . . . ?
N3 P1 C1 C2 129.4(2) . . . . ?
N2 P1 C1 C2 -133.3(2) . . . . ?
Al1 P1 C1 C2 -1.0(2) . . . . ?
N3 P1 C1 C6' -64.7(4) . . . . ?
N2 P1 C1 C6' 32.6(4) . . . . ?
Al1 P1 C1 C6' 164.9(4) . . . . ?
N3 P1 C1 C6 -31.1(4) . . . . ?
N2 P1 C1 C6 66.2(4) . . . . ?
Al1 P1 C1 C6 -161.4(4) . . . . ?
C18 N1 C2 C1 178.5(2) . . . . ?
Al1 N1 C2 C1 -0.9(3) . . . . ?
C18 N1 C2 C3' 6.6(6) . . . . ?
Al1 N1 C2 C3' -172.8(5) . . . . ?
C18 N1 C2 C3 -8.0(5) . . . . ?
Al1 N1 C2 C3 172.6(4) . . . . ?
C6' C1 C2 N1 -167.8(3) . . . . ?
C6 C1 C2 N1 167.7(3) . . . . ?
P1 C1 C2 N1 1.4(4) . . . . ?
C6' C1 C2 C3' 5.6(5) . . . . ?
P1 C1 C2 C3' 174.8(4) . . . . ?
C6 C1 C2 C3 -6.6(5) . . . . ?
P1 C1 C2 C3 -173.0(4) . . . . ?
N1 C2 C3 C4 119.2(5) . . . . ?
C1 C2 C3 C4 -66.4(6) . . . . ?
N1 C2 C3 C7 -136.0(5) . . . . ?
C1 C2 C3 C7 38.4(6) . . . . ?
C2 C3 C4 C5 70.5(6) . . . . ?
C7 C3 C4 C5 -35.1(6) . . . . ?
C3 C4 C5 C6 -2.1(6) . . . . ?
C4 C5 C6 C7 38.1(5) . . . . ?
C4 C5 C6 C1 -68.9(4) . . . . ?
C2 C1 C6 C5 76.9(4) . . . . ?
P1 C1 C6 C5 -120.9(4) . . . . ?
C2 C1 C6 C7 -27.1(5) . . . . ?
P1 C1 C6 C7 135.1(4) . . . . ?
C2 C3 C7 C6 -50.2(6) . . . . ?
C4 C3 C7 C6 56.4(6) . . . . ?
C5 C6 C7 C3 -57.7(5) . . . . ?
C1 C6 C7 C3 46.9(5) . . . . ?
N1 C2 C3' C4' -118.4(5) . . . . ?
C1 C2 C3' C4' 68.2(6) . . . . ?
N1 C2 C3' C7' 136.9(4) . . . . ?
C1 C2 C3' C7' -36.5(6) . . . . ?
C2 C3' C4' C5' -71.5(7) . . . . ?
C7' C3' C4' C5' 34.4(7) . . . . ?
C3' C4' C5' C6' 1.9(7) . . . . ?
C2 C1 C6' C5' -76.1(4) . . . . ?
P1 C1 C6' C5' 117.1(4) . . . . ?
C2 C1 C6' C7' 26.9(4) . . . . ?
P1 C1 C6' C7' -139.9(3) . . . . ?
C4' C5' C6' C1 67.2(5) . . . . ?
C4' C5' C6' C7' -37.4(5) . . . . ?
C2 C3' C7' C6' 49.9(6) . . . . ?
C4' C3' C7' C6' -56.5(6) . . . . ?
C1 C6' C7' C3' -45.6(5) . . . . ?
C5' C6' C7' C3' 57.5(5) . . . . ?
P1 N2 C10 C12 -121.2(9) . . . . ?
Si1 N2 C10 C12 50.9(10) . . . . ?
P1 N2 C10 C11 114.3(8) . . . . ?
Si1 N2 C10 C11 -73.6(8) . . . . ?
P1 N2 C10 C11' 25.8(6) . . . . ?
Si1 N2 C10 C11' -162.0(5) . . . . ?
P1 N2 C10 C12' 151.9(5) . . . . ?
Si1 N2 C10 C12' -35.9(5) . . . . ?
P1 N2 C10 C13 -1.2(6) . . . . ?
Si1 N2 C10 C13 170.9(5) . . . . ?
P1 N2 C10 C13' -94.0(4) . . . . ?
Si1 N2 C10 C13' 78.2(4) . . . . ?
P1 N3 C14 C15 37.6(3) . . . . ?
Si1 N3 C14 C15 -162.2(3) . . . . ?
P1 N3 C14 C17 162.1(2) . . . . ?
Si1 N3 C14 C17 -37.7(3) . . . . ?
P1 N3 C14 C16 -81.6(3) . . . . ?
Si1 N3 C14 C16 78.6(3) . . . . ?
C2 N1 C18 C19 -92.2(2) . . . . ?
Al1 N1 C18 C19 87.1(2) . . . . ?
C2 N1 C18 C23 87.8(2) . . . . ?
Al1 N1 C18 C23 -92.9(2) . . . . ?
C23 C18 C19 C20 1.3(3) . . . . ?
N1 C18 C19 C20 -178.60(19) . . . . ?
C23 C18 C19 C24 -178.6(2) . . . . ?
N1 C18 C19 C24 1.5(3) . . . . ?
C18 C19 C20 C21 -1.0(3) . . . . ?
C24 C19 C20 C21 178.9(2) . . . . ?
C19 C20 C21 C22 0.4(3) . . . . ?
C20 C21 C22 C23 -0.1(3) . . . . ?
C21 C22 C23 C18 0.5(3) . . . . ?
C21 C22 C23 C27 -179.7(2) . . . . ?
C19 C18 C23 C22 -1.1(3) . . . . ?
N1 C18 C23 C22 178.85(18) . . . . ?
C19 C18 C23 C27 179.1(2) . . . . ?
N1 C18 C23 C27 -1.0(3) . . . . ?
C20 C19 C24 C25 71.7(3) . . . . ?
C18 C19 C24 C25 -108.4(3) . . . . ?
C20 C19 C24 C26 -52.1(3) . . . . ?
C18 C19 C24 C26 127.8(3) . . . . ?
C22 C23 C27 C29 -71.0(3) . . . . ?
C18 C23 C27 C29 108.8(3) . . . . ?
C22 C23 C27 C28 53.1(3) . . . . ?
C18 C23 C27 C28 -127.1(3) . . . . ?
N1 Al1 C30 C31 -109.62(16) . . . . ?
P1 Al1 C30 C31 111.97(14) . . . . ?
C31 Al1 C30 C32 -171.8(8) . . . . ?
N1 Al1 C30 C32 78.5(7) . . . . ?
P1 Al1 C30 C32 -59.9(7) . . . . ?
C32 C30 C31 C34 -2.1(5) . . . . ?
Al1 C30 C31 C34 -179.0(3) . . . . ?
C32 C30 C31 Al1 177.0(3) . . . . ?
N1 Al1 C31 C30 113.89(16) . . . . ?
P1 Al1 C31 C30 -106.24(14) . . . . ?
N1 Al1 C31 C34 -68.5(6) . . . . ?
C30 Al1 C31 C34 177.6(7) . . . . ?
P1 Al1 C31 C34 71.4(6) . . . . ?
C31 C30 C32 C33 155.3(3) . . . . ?
Al1 C30 C32 C33 -34.4(9) . . . . ?
C30 C31 C34 C35 140.7(3) . . . . ?
Al1 C31 C34 C35 -36.5(8) . . . . ?
C36 C37 C38 C39 -179.1(9) . . . . ?
C37 C38 C39 C40 -175.7(14) . . . . ?
