#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/32/4303265.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_4303265
loop_
_publ_author_name
'Bijan Nekoueishahraki'
'Herbert W. Roesky'
'Gerald Schwab'
'Daniel Stern'
'Dietmar Stalke'
_publ_contact_author             'Prof. Dr. Dietmar Stalke'
_publ_contact_author_email       dstalke@chemie.uni-goettingen.de
_publ_section_title
;
Synthesis and Structural Characterization of Aluminum Iminophosphonamide
Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9174
_journal_page_last               9179
_journal_paper_doi               10.1021/ic9011179
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C22.50 H35 Al Cl N2 P Si2'
_chemical_formula_sum            'C22.5 H35 Al Cl N2 P Si2'
_chemical_formula_weight         483.11
_chemical_name_common            BN06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.5070(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8667(10)
_cell_length_b                   10.8034(10)
_cell_length_c                   23.915(2)
_cell_measurement_reflns_used    23713
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.30
_cell_volume                     2740.9(4)
_computing_cell_refinement       'SAINT V7.23A'
_computing_data_collection       'APEX2 v2.1-0'
_computing_data_reduction        'SAINT V7.23A'
_computing_molecular_graphics    'XP in SHELXTL ver. 6.12'
_computing_publication_material  'XP in SHELXTL ver. 6.12'
_computing_structure_refinement  'SHELXL in SHELXTL ver. 6.12'
_computing_structure_solution    'SHELXS in SHELXTL ver. 6.12'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker Smart Apex II with D8-Goniometer'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'left rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0112
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            52109
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.329
_exptl_absorpt_correction_T_max  0.970
_exptl_absorpt_correction_T_min  0.882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2004/1
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.171
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.046
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         5405
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0417P)²+1.4381P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0799
_refine_ls_wR_factor_ref         0.0818
_reflns_number_gt                4992
_reflns_number_total             5405
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9011179_si_002.cif
_cod_data_source_block           BN06
_cod_original_formula_sum        'C22.50 H35 Al Cl N2 P Si2'
_cod_database_code               4303265
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.02328(4) 0.62783(4) 0.167663(18) 0.02140(11) Uani 1 1 d . . .
C1 C 0.35081(13) 0.65135(13) 0.12693(6) 0.0202(3) Uani 1 1 d . . .
C2 C 0.32829(15) 0.55693(15) 0.08685(7) 0.0273(3) Uani 1 1 d . . .
H2A H 0.2441 0.5360 0.0689 0.033 Uiso 1 1 calc R . .
C3 C 0.42808(16) 0.49274(16) 0.07283(8) 0.0346(4) Uani 1 1 d . . .
H3A H 0.4122 0.4290 0.0448 0.042 Uiso 1 1 calc R . .
C4 C 0.55049(16) 0.52155(16) 0.09958(8) 0.0316(4) Uani 1 1 d . . .
H4A H 0.6187 0.4774 0.0900 0.038 Uiso 1 1 calc R . .
C5 C 0.57381(15) 0.61440(16) 0.14019(7) 0.0305(4) Uani 1 1 d . . .
H5A H 0.6580 0.6332 0.1590 0.037 Uiso 1 1 calc R . .
C6 C 0.47465(14) 0.68020(15) 0.15355(7) 0.0264(3) Uani 1 1 d . . .
H6A H 0.4911 0.7452 0.1809 0.032 Uiso 1 1 calc R . .
C7 C 0.25146(13) 0.88934(13) 0.15100(6) 0.0191(3) Uani 1 1 d . . .
C8 C 0.20132(14) 0.96266(15) 0.18863(7) 0.0254(3) Uani 1 1 d . . .
H8A H 0.1603 0.9248 0.2155 0.030 Uiso 1 1 calc R . .
C9 C 0.21111(16) 1.09049(16) 0.18696(7) 0.0311(4) Uani 1 1 d . . .
H9A H 0.1771 1.1401 0.2127 0.037 Uiso 1 1 calc R . .
C10 C 0.27057(15) 1.14597(15) 0.14761(7) 0.0300(4) Uani 1 1 d . . .
H10A H 0.2773 1.2336 0.1465 0.036 Uiso 1 1 calc R . .
C11 C 0.32011(15) 1.07414(15) 0.10994(7) 0.0275(3) Uani 1 1 d . . .
H11A H 0.3603 1.1124 0.0829 0.033 Uiso 1 1 calc R . .
C12 C 0.31111(14) 0.94601(14) 0.11172(6) 0.0224(3) Uani 1 1 d . . .
H12A H 0.3458 0.8968 0.0860 0.027 Uiso 1 1 calc R . .
C13 C 0.38461(17) 0.76226(16) 0.30372(7) 0.0348(4) Uani 1 1 d . . .
H13A H 0.3365 0.8392 0.3031 0.052 Uiso 1 1 calc R . .
H13B H 0.4477 0.7724 0.2803 0.052 Uiso 1 1 calc R . .
H13C H 0.4270 0.7429 0.3432 0.052 Uiso 1 1 calc R . .
C14 C 0.36741(17) 0.48883(16) 0.27289(8) 0.0349(4) Uani 1 1 d . . .
H14A H 0.3100 0.4215 0.2569 0.052 Uiso 1 1 calc R . .
H14B H 0.4111 0.4674 0.3120 0.052 Uiso 1 1 calc R . .
H14C H 0.4294 0.5012 0.2491 0.052 Uiso 1 1 calc R . .
C15 C 0.15521(16) 0.61160(16) 0.31800(7) 0.0310(4) Uani 1 1 d . . .
H15A H 0.0995 0.5429 0.3023 0.047 Uiso 1 1 calc R . .
H15B H 0.1054 0.6875 0.3172 0.047 Uiso 1 1 calc R . .
H15C H 0.1972 0.5928 0.3576 0.047 Uiso 1 1 calc R . .
C16 C -0.05353(15) 0.91351(15) 0.05319(7) 0.0278(3) Uani 1 1 d . . .
H16A H 0.0188 0.9696 0.0635 0.042 Uiso 1 1 calc R . .
H16B H -0.0991 0.9114 0.0844 0.042 Uiso 1 1 calc R . .
H16C H -0.1100 0.9430 0.0181 0.042 Uiso 1 1 calc R . .
C17 C 0.09974(18) 0.75606(15) -0.01410(7) 0.0311(4) Uani 1 1 d . . .
H17A H 0.1736 0.8093 -0.0014 0.047 Uiso 1 1 calc R . .
H17B H 0.0492 0.7877 -0.0503 0.047 Uiso 1 1 calc R . .
H17C H 0.1275 0.6715 -0.0197 0.047 Uiso 1 1 calc R . .
C18 C -0.13594(17) 0.65186(17) 0.01839(8) 0.0377(4) Uani 1 1 d . . .
H18A H -0.1069 0.5674 0.0137 0.057 Uiso 1 1 calc R . .
H18B H -0.1870 0.6811 -0.0181 0.057 Uiso 1 1 calc R . .
H18C H -0.1869 0.6526 0.0475 0.057 Uiso 1 1 calc R . .
C19 C -0.03541(16) 0.45717(14) 0.16506(7) 0.0280(3) Uani 1 1 d . . .
H19A H -0.1227 0.4530 0.1432 0.042 Uiso 1 1 calc R . .
H19B H -0.0312 0.4274 0.2041 0.042 Uiso 1 1 calc R . .
H19C H 0.0182 0.4053 0.1466 0.042 Uiso 1 1 calc R . .
C20 C 0.4968(3) 0.5612(3) 0.50095(15) 0.0302(7) Uani 0.50 1 d P . .
C21 C 0.41023(16) 0.50470(18) 0.46173(7) 0.0344(4) Uani 0.50 1 d P . .
H21 H 0.3480 0.5531 0.4372 0.041 Uiso 0.50 1 calc PR . .
C21' C 0.41023(16) 0.50470(18) 0.46173(7) 0.0344(4) Uani 0.50 1 d P . .
H21' H 0.3482 0.4640 0.4337 0.041 Uiso 0.50 1 calc PR . .
C22 C 0.4076(3) 0.3734(4) 0.45529(16) 0.0383(9) Uani 0.50 1 d P . .
H22 H 0.3456 0.3343 0.4266 0.046 Uiso 0.50 1 calc PR . .
C23 C 0.5007(2) 0.30225(18) 0.49320(10) 0.0473(5) Uani 0.50 1 d P . .
H23 H 0.5015 0.2145 0.4909 0.057 Uiso 0.50 1 calc PR . .
C23' C 0.5007(2) 0.30225(18) 0.49320(10) 0.0473(5) Uani 0.50 1 d P . .
H23A H 0.5571 0.2770 0.4684 0.071 Uiso 0.50 1 calc PR . .
H23B H 0.4146 0.2751 0.4763 0.071 Uiso 0.50 1 calc PR . .
H23C H 0.5287 0.2643 0.5310 0.071 Uiso 0.50 1 calc PR . .
C24 C 0.5877(4) 0.3635(4) 0.53248(15) 0.0397(9) Uani 0.50 1 d P . .
H24 H 0.6505 0.3167 0.5575 0.048 Uiso 0.50 1 calc PR . .
Cl1 Cl -0.11189(4) 0.75454(4) 0.189958(17) 0.03027(10) Uani 1 1 d . . .
N1 N 0.18975(11) 0.67009(12) 0.20622(5) 0.0204(3) Uani 1 1 d . . .
N2 N 0.08611(11) 0.69322(11) 0.10508(5) 0.0188(2) Uani 1 1 d . . .
P1 P 0.21913(3) 0.72571(3) 0.147825(15) 0.01720(9) Uani 1 1 d . . .
Si1 Si 0.27567(4) 0.63379(4) 0.274241(17) 0.02140(10) Uani 1 1 d . . .
Si2 Si 0.00285(4) 0.75551(4) 0.041210(17) 0.02020(10) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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
N1 Al1 N2 80.04(5) . . ?
N1 Al1 C19 120.92(7) . . ?
N2 Al1 C19 119.69(6) . . ?
N1 Al1 Cl1 110.81(4) . . ?
N2 Al1 Cl1 109.69(4) . . ?
C19 Al1 Cl1 111.89(6) . . ?
N1 Al1 P1 39.99(4) . . ?
N2 Al1 P1 40.09(4) . . ?
C19 Al1 P1 132.65(6) . . ?
Cl1 Al1 P1 115.44(2) . . ?
C2 C1 C6 119.29(14) . . ?
C2 C1 P1 119.21(11) . . ?
C6 C1 P1 121.30(11) . . ?
C1 C2 C3 120.33(15) . . ?
C1 C2 H2A 119.8 . . ?
C3 C2 H2A 119.8 . . ?
C4 C3 C2 120.00(16) . . ?
C4 C3 H3A 120.0 . . ?
C2 C3 H3A 120.0 . . ?
C3 C4 C5 120.08(15) . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 C6 120.11(15) . . ?
C4 C5 H5A 119.9 . . ?
C6 C5 H5A 119.9 . . ?
C5 C6 C1 120.16(15) . . ?
C5 C6 H6A 119.9 . . ?
C1 C6 H6A 119.9 . . ?
C12 C7 C8 119.28(14) . . ?
C12 C7 P1 121.20(11) . . ?
C8 C7 P1 118.99(11) . . ?
C9 C8 C7 120.25(14) . . ?
C9 C8 H8A 119.9 . . ?
C7 C8 H8A 119.9 . . ?
C8 C9 C10 119.99(15) . . ?
C8 C9 H9A 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C11 C10 C9 120.22(15) . . ?
C11 C10 H10A 119.9 . . ?
C9 C10 H10A 119.9 . . ?
C10 C11 C12 119.94(15) . . ?
C10 C11 H11A 120.0 . . ?
C12 C11 H11A 120.0 . . ?
C11 C12 C7 120.31(14) . . ?
C11 C12 H12A 119.8 . . ?
C7 C12 H12A 119.8 . . ?
Si1 C13 H13A 109.5 . . ?
Si1 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si1 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si1 C14 H14A 109.5 . . ?
Si1 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si1 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si1 C15 H15A 109.5 . . ?
Si1 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si1 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si2 C16 H16A 109.5 . . ?
Si2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Si2 C17 H17A 109.5 . . ?
Si2 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
Si2 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si2 C18 H18A 109.5 . . ?
Si2 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
Si2 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Al1 C19 H19A 109.5 . . ?
Al1 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
Al1 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C24 64.6(3) . 3_666 ?
C21 C20 C21 121.6(3) . 3_666 ?
C24 C20 C21 173.8(4) 3_666 3_666 ?
C24 C20 C21' 173.8(4) 3_666 3_666 ?
C21 C20 C23 121.4(3) . 3_666 ?
C24 C20 C23 56.8(2) 3_666 3_666 ?
C21 C20 C23 117.0(3) 3_666 3_666 ?
C21' C20 C23 117.0(3) 3_666 3_666 ?
C21 C20 C23' 121.4(3) . 3_666 ?
C24 C20 C23' 56.8(2) 3_666 3_666 ?
C21 C20 C23' 117.0(3) 3_666 3_666 ?
C21' C20 C23' 117.0(3) 3_666 3_666 ?
C21 C20 C22 179.0(4) . 3_666 ?
C24 C20 C22 114.4(3) 3_666 3_666 ?
C21 C20 C22 59.4(2) 3_666 3_666 ?
C21' C20 C22 59.4(2) 3_666 3_666 ?
C23 C20 C22 57.6(2) 3_666 3_666 ?
C23' C20 C22 57.6(2) 3_666 3_666 ?
C20 C21 C22 122.0(3) . . ?
C20 C21 H21 119.0 . . ?
C22 C21 H21 119.0 . . ?
C21 C22 C23 118.1(3) . . ?
C21 C22 H22 120.9 . . ?
C23 C22 H22 120.9 . . ?
C24 C23 C22 118.0(3) . . ?
C24 C23 H23 121.0 . . ?
C22 C23 H23 121.0 . . ?
C23 C24 C21 123.3(3) . 3_666 ?
C23 C24 H24 118.4 . . ?
C21 C24 H24 118.4 3_666 . ?
P1 N1 Si1 136.69(8) . . ?
P1 N1 Al1 90.89(6) . . ?
Si1 N1 Al1 131.52(7) . . ?
P1 N2 Si2 134.18(8) . . ?
P1 N2 Al1 90.41(6) . . ?
Si2 N2 Al1 128.83(7) . . ?
N1 P1 N2 98.56(6) . . ?
N1 P1 C7 113.72(7) . . ?
N2 P1 C7 112.28(6) . . ?
N1 P1 C1 113.03(7) . . ?
N2 P1 C1 112.47(7) . . ?
C7 P1 C1 106.84(7) . . ?
N1 P1 Al1 49.12(4) . . ?
N2 P1 Al1 49.49(4) . . ?
C7 P1 Al1 124.81(5) . . ?
C1 P1 Al1 128.34(5) . . ?
N1 Si1 C15 104.78(7) . . ?
N1 Si1 C14 110.81(7) . . ?
C15 Si1 C14 110.26(8) . . ?
N1 Si1 C13 110.82(7) . . ?
C15 Si1 C13 110.52(8) . . ?
C14 Si1 C13 109.58(9) . . ?
N2 Si2 C16 110.34(7) . . ?
N2 Si2 C17 111.09(7) . . ?
C16 Si2 C17 111.30(7) . . ?
N2 Si2 C18 105.06(7) . . ?
C16 Si2 C18 108.94(8) . . ?
C17 Si2 C18 109.91(9) . . ?
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 N1 1.8996(13) . ?
Al1 N2 1.9099(13) . ?
Al1 C19 1.9475(15) . ?
Al1 Cl1 2.1575(6) . ?
Al1 P1 2.5119(6) . ?
C1 C2 1.385(2) . ?
C1 C6 1.394(2) . ?
C1 P1 1.8034(15) . ?
C2 C3 1.388(2) . ?
C2 H2A 0.9500 . ?
C3 C4 1.381(2) . ?
C3 H3A 0.9500 . ?
C4 C5 1.381(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.385(2) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C12 1.393(2) . ?
C7 C8 1.395(2) . ?
C7 P1 1.8007(15) . ?
C8 C9 1.386(2) . ?
C8 H8A 0.9500 . ?
C9 C10 1.388(2) . ?
C9 H9A 0.9500 . ?
C10 C11 1.383(2) . ?
C10 H10A 0.9500 . ?
C11 C12 1.389(2) . ?
C11 H11A 0.9500 . ?
C12 H12A 0.9500 . ?
C13 Si1 1.8609(17) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 Si1 1.8605(17) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 Si1 1.8600(17) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 Si2 1.8566(16) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 Si2 1.8604(17) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 Si2 1.8628(17) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C21 1.325(4) . ?
C20 C20 1.326(7) 3_666 ?
C20 C24 1.351(5) 3_666 ?
C20 C21 1.391(4) 3_666 ?
C20 C21' 1.391(4) 3_666 ?
C20 C23 1.481(4) 3_666 ?
C20 C23' 1.481(4) 3_666 ?
C20 C22 1.484(5) 3_666 ?
C21 C22 1.427(4) . ?
C21 H21 0.9500 . ?
C22 C23 1.428(5) . ?
C22 H22 0.9500 . ?
C23 C24 1.353(5) . ?
C23 H23 0.9500 . ?
C24 C21 1.430(5) 3_666 ?
C24 H24 0.9500 . ?
N1 P1 1.6144(12) . ?
N1 Si1 1.7361(12) . ?
N2 P1 1.6178(12) . ?
N2 Si2 1.7338(12) . ?
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
C6 C1 C2 C3 -0.8(2) . . . . ?
P1 C1 C2 C3 -175.75(13) . . . . ?
C1 C2 C3 C4 1.1(3) . . . . ?
C2 C3 C4 C5 -0.2(3) . . . . ?
C3 C4 C5 C6 -1.0(3) . . . . ?
C4 C5 C6 C1 1.3(2) . . . . ?
C2 C1 C6 C5 -0.4(2) . . . . ?
P1 C1 C6 C5 174.46(12) . . . . ?
C12 C7 C8 C9 -0.1(2) . . . . ?
P1 C7 C8 C9 -171.88(13) . . . . ?
C7 C8 C9 C10 0.2(3) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C9 C10 C11 C12 -0.4(3) . . . . ?
C10 C11 C12 C7 0.5(2) . . . . ?
C8 C7 C12 C11 -0.2(2) . . . . ?
P1 C7 C12 C11 171.33(12) . . . . ?
C20 C20 C21 C22 -0.3(4) 3_666 . . . ?
C24 C20 C21 C22 179.6(3) 3_666 . . . ?
C21 C20 C21 C22 -0.3(4) 3_666 . . . ?
C21' C20 C21 C22 -0.3(4) 3_666 . . . ?
C23 C20 C21 C22 179.4(2) 3_666 . . . ?
C23' C20 C21 C22 179.4(2) 3_666 . . . ?
C20 C21 C22 C23 1.0(4) . . . . ?
C21 C22 C23 C24 -1.2(4) . . . . ?
C22 C23 C24 C21 0.8(4) . . . 3_666 ?
N2 Al1 N1 P1 2.23(6) . . . . ?
C19 Al1 N1 P1 120.98(7) . . . . ?
Cl1 Al1 N1 P1 -105.19(5) . . . . ?
N2 Al1 N1 Si1 -168.08(10) . . . . ?
C19 Al1 N1 Si1 -49.33(12) . . . . ?
Cl1 Al1 N1 Si1 84.50(10) . . . . ?
P1 Al1 N1 Si1 -170.31(14) . . . . ?
N1 Al1 N2 P1 -2.22(6) . . . . ?
C19 Al1 N2 P1 -122.26(7) . . . . ?
Cl1 Al1 N2 P1 106.46(5) . . . . ?
N1 Al1 N2 Si2 -156.43(10) . . . . ?
C19 Al1 N2 Si2 83.54(11) . . . . ?
Cl1 Al1 N2 Si2 -47.75(9) . . . . ?
P1 Al1 N2 Si2 -154.21(12) . . . . ?
Si1 N1 P1 N2 166.79(11) . . . . ?
Al1 N1 P1 N2 -2.62(7) . . . . ?
Si1 N1 P1 C7 -74.21(13) . . . . ?
Al1 N1 P1 C7 116.38(6) . . . . ?
Si1 N1 P1 C1 47.84(14) . . . . ?
Al1 N1 P1 C1 -121.57(6) . . . . ?
Si1 N1 P1 Al1 169.41(15) . . . . ?
Si2 N2 P1 N1 154.40(10) . . . . ?
Al1 N2 P1 N1 2.61(6) . . . . ?
Si2 N2 P1 C7 34.32(12) . . . . ?
Al1 N2 P1 C7 -117.48(6) . . . . ?
Si2 N2 P1 C1 -86.23(11) . . . . ?
Al1 N2 P1 C1 121.98(6) . . . . ?
Si2 N2 P1 Al1 151.79(13) . . . . ?
C12 C7 P1 N1 162.40(11) . . . . ?
C8 C7 P1 N1 -26.02(14) . . . . ?
C12 C7 P1 N2 -86.77(13) . . . . ?
C8 C7 P1 N2 84.81(13) . . . . ?
C12 C7 P1 C1 36.98(14) . . . . ?
C8 C7 P1 C1 -151.44(12) . . . . ?
C12 C7 P1 Al1 -142.01(10) . . . . ?
C8 C7 P1 Al1 29.57(14) . . . . ?
C2 C1 P1 N1 96.81(13) . . . . ?
C6 C1 P1 N1 -78.05(14) . . . . ?
C2 C1 P1 N2 -13.73(15) . . . . ?
C6 C1 P1 N2 171.41(12) . . . . ?
C2 C1 P1 C7 -137.36(12) . . . . ?
C6 C1 P1 C7 47.78(14) . . . . ?
C2 C1 P1 Al1 41.58(15) . . . . ?
C6 C1 P1 Al1 -133.27(11) . . . . ?
N2 Al1 P1 N1 -176.59(8) . . . . ?
C19 Al1 P1 N1 -89.37(9) . . . . ?
Cl1 Al1 P1 N1 92.58(6) . . . . ?
N1 Al1 P1 N2 176.59(8) . . . . ?
C19 Al1 P1 N2 87.22(9) . . . . ?
Cl1 Al1 P1 N2 -90.83(6) . . . . ?
N1 Al1 P1 C7 -92.65(8) . . . . ?
N2 Al1 P1 C7 90.76(8) . . . . ?
C19 Al1 P1 C7 177.98(9) . . . . ?
Cl1 Al1 P1 C7 -0.07(6) . . . . ?
N1 Al1 P1 C1 88.58(9) . . . . ?
N2 Al1 P1 C1 -88.01(8) . . . . ?
C19 Al1 P1 C1 -0.79(10) . . . . ?
Cl1 Al1 P1 C1 -178.84(6) . . . . ?
P1 N1 Si1 C15 166.21(12) . . . . ?
Al1 N1 Si1 C15 -27.99(12) . . . . ?
P1 N1 Si1 C14 -74.87(13) . . . . ?
Al1 N1 Si1 C14 90.92(11) . . . . ?
P1 N1 Si1 C13 47.00(14) . . . . ?
Al1 N1 Si1 C13 -147.20(10) . . . . ?
P1 N2 Si2 C16 -67.29(12) . . . . ?
Al1 N2 Si2 C16 75.36(10) . . . . ?
P1 N2 Si2 C17 56.64(13) . . . . ?
Al1 N2 Si2 C17 -160.72(9) . . . . ?
P1 N2 Si2 C18 175.44(11) . . . . ?
Al1 N2 Si2 C18 -41.91(11) . . . . ?
