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#$Date: 2023-08-10 01:57:07 +0300 (Thu, 10 Aug 2023) $
#$Revision: 285608 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/37/7713712.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_7713712
loop_
_publ_author_name
'Vrána, Jan'
'Ruzickova, Zdenka'
'R°užička, Aleš'
'Dostál, Libor'
_publ_section_title
;
 Synthesis and reactivity of alkali metal aluminates bearing
 bis(organoamido)phosphane ligand
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT01859H
_journal_year                    2023
_chemical_formula_moiety         'C18 H35 Al Cl N2 P Si'
_chemical_formula_sum            'C18 H35 Al Cl N2 P Si'
_chemical_formula_weight         400.97
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-07-25 deposited with the CCDC.	2023-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 131.264(7)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.4470(11)
_cell_length_b                   12.0000(17)
_cell_length_c                   27.7450(8)
_cell_measurement_reflns_used    80116
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1
_cell_volume                     4616.6(9)
_computing_cell_refinement       'COLLECT and DENZO'
_computing_data_collection
'COLLECT (Hooft, 1998) and DENZO (Otwinowski & Minor, 1997)'
_computing_data_reduction        'COLLECT and DENZO'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(1)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker Nonius KappaCCD area detector'
_diffrn_measurement_method       'φ and ω scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0377
_diffrn_reflns_av_unetI/netI     0.0206
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            80243
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         1.958
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.328
_exptl_absorpt_correction_T_max  0.940
_exptl_absorpt_correction_T_min  0.869
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.154
_exptl_crystal_description       block
_exptl_crystal_F_000             1728
_exptl_crystal_size_max          0.59
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.440
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         10545
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.125
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0370
_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)+(0.0345P)²+3.8164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.1011
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8587
_reflns_number_total             10545
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt01859h2.cif
_cod_data_source_block           ld150216Al1
_cod_original_cell_volume        4616.6(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7713712
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_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_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
P1 P 0.72990(3) 0.19866(3) 0.63557(2) 0.01635(9) Uani 1 1 d . . . . .
P2 P 0.77958(3) -0.20404(3) 0.38085(2) 0.01717(9) Uani 1 1 d . . . . .
Al2 Al 0.71637(4) -0.37913(4) 0.39897(3) 0.02015(11) Uani 1 1 d . . . . .
Al1 Al 0.76955(4) 0.37042(4) 0.59942(2) 0.01876(11) Uani 1 1 d . . . . .
Si2 Si 0.87270(4) -0.21082(4) 0.35345(3) 0.02629(12) Uani 1 1 d . . . . .
Cl2 Cl 0.79972(5) -0.13131(5) 0.26646(3) 0.04629(15) Uani 1 1 d . . . . .
Cl1 Cl 0.76893(16) 0.13979(19) 0.77619(9) 0.0391(3) Uani 0.6873(14) 1 d D . P A
1
C15 C 0.7535(8) 0.1520(9) 0.7673(4) 0.0391(3) Uani 0.6873(14) 1 d D . P A 1
H15A H 0.727366 0.161393 0.787675 0.059 Uiso 0.6873(14) 1 calc R U P A 1
H15B H 0.813715 0.191078 0.791402 0.059 Uiso 0.6873(14) 1 calc R U P A 1
H15C H 0.763765 0.074212 0.765691 0.059 Uiso 0.6873(14) 1 calc R U P A 1
C15' C 0.5567(19) 0.129(3) 0.6468(19) 0.0603(9) Uani 0.3127(14) 1 d D . P A 2
H15D H 0.544336 0.126052 0.675429 0.091 Uiso 0.3127(14) 1 calc R U P A 2
H15E H 0.564609 0.054672 0.638093 0.091 Uiso 0.3127(14) 1 calc R U P A 2
H15F H 0.503357 0.164126 0.607440 0.091 Uiso 0.3127(14) 1 calc R U P A 2
Cl1' Cl 0.5489(5) 0.1243(8) 0.6392(5) 0.0603(9) Uani 0.3127(14) 1 d D . P A 2
Si1 Si 0.66695(4) 0.20931(4) 0.68405(3) 0.02871(12) Uani 1 1 d D . . . .
N2 N 0.66722(10) 0.26909(11) 0.56910(7) 0.0189(3) Uani 1 1 d . . . . .
N4 N 0.68028(10) -0.27488(12) 0.33382(7) 0.0201(3) Uani 1 1 d . . . . .
N3 N 0.82449(10) -0.28009(11) 0.44336(7) 0.0192(3) Uani 1 1 d . . . . .
N1 N 0.82692(10) 0.27142(12) 0.67040(6) 0.0183(3) Uani 1 1 d . . . . .
C1 C 0.74371(12) 0.05408(14) 0.62454(8) 0.0197(3) Uani 1 1 d . . . . .
C101 C 0.76026(12) -0.06142(14) 0.39105(8) 0.0203(3) Uani 1 1 d . . . . .
C6 C 0.73119(12) -0.03504(15) 0.65049(9) 0.0239(4) Uani 1 1 d . . . . .
H6 H 0.716552 -0.021774 0.676274 0.029 Uiso 1 1 d R U . . .
C115 C 0.88185(15) -0.36059(16) 0.34268(11) 0.0319(4) Uani 1 1 d . . . . .
115A H 0.904871 -0.369073 0.320360 0.038 Uiso 1 1 d R U . . .
115B H 0.819491 -0.394683 0.318250 0.038 Uiso 1 1 d R U . . .
115C H 0.925990 -0.395853 0.383902 0.038 Uiso 1 1 d R U . . .
C107 C 0.91713(13) -0.27683(15) 0.51003(8) 0.0261(4) Uani 1 1 d . . . . .
C2 C 0.76753(14) 0.03250(16) 0.58727(9) 0.0271(4) Uani 1 1 d . . . . .
H2 H 0.778224 0.091383 0.570835 0.032 Uiso 1 1 d R U . . .
C18 C 0.75247(14) 0.52421(15) 0.61429(10) 0.0313(4) Uani 1 1 d . . . . .
H18A H 0.719207 0.524037 0.630046 0.038 Uiso 1 1 d R U . . .
H18B H 0.715407 0.565167 0.574796 0.038 Uiso 1 1 d R U . . .
H18C H 0.814447 0.558727 0.645326 0.038 Uiso 1 1 d R U . . .
C5 C 0.74062(13) -0.14373(15) 0.63822(9) 0.0280(4) Uani 1 1 d . . . . .
H5 H 0.732375 -0.203094 0.655759 0.034 Uiso 1 1 d R U . . .
C17 C 0.81900(16) 0.35834(18) 0.55485(10) 0.0347(5) Uani 1 1 d . . . . .
H17A H 0.880623 0.394439 0.579672 0.042 Uiso 1 1 d R U . . .
H17B H 0.774563 0.393409 0.513602 0.042 Uiso 1 1 d R U . . .
H17C H 0.825753 0.281109 0.549432 0.042 Uiso 1 1 d R U . . .
C4 C 0.76202(14) -0.16404(16) 0.60006(10) 0.0309(4) Uani 1 1 d . . . . .
H4 H 0.767256 -0.236926 0.591271 0.037 Uiso 1 1 d R U . . .
C117 C 0.74060(16) -0.53180(16) 0.38747(10) 0.0329(4) Uani 1 1 d . . . . .
117A H 0.778252 -0.530052 0.374951 0.040 Uiso 1 1 d R U . . .
117B H 0.680252 -0.568282 0.354801 0.040 Uiso 1 1 d R U . . .
117C H 0.775112 -0.571872 0.427081 0.040 Uiso 1 1 d R U . . .
C16 C 0.65465(17) 0.35880(17) 0.69257(12) 0.0381(5) Uani 1 1 d . . . . .
H16A H 0.606522 0.391225 0.650925 0.046 Uiso 1 1 d R U . . .
H16B H 0.715291 0.395435 0.713925 0.046 Uiso 1 1 d R U . . .
H16C H 0.635763 0.367545 0.717355 0.046 Uiso 1 1 d R U . . .
C106 C 0.79171(14) 0.03098(15) 0.37928(10) 0.0284(4) Uani 1 1 d . . . . .
H106 H 0.823775 0.021557 0.364169 0.034 Uiso 1 1 d R U . . .
C11 C 0.56588(12) 0.26028(16) 0.50902(9) 0.0273(4) Uani 1 1 d . . . . .
C102 C 0.71073(14) -0.04552(15) 0.41241(9) 0.0270(4) Uani 1 1 d . . . . .
H102 H 0.688371 -0.106788 0.419807 0.032 Uiso 1 1 d R U . . .
C118 C 0.64186(16) -0.37118(19) 0.42655(11) 0.0383(5) Uani 1 1 d . . . . .
118A H 0.674977 -0.411558 0.465927 0.046 Uiso 1 1 d R U . . .
118B H 0.579257 -0.403338 0.394097 0.046 Uiso 1 1 d R U . . .
118C H 0.634927 -0.294678 0.433007 0.046 Uiso 1 1 d R U . . .
C109 C 0.95558(14) -0.15829(16) 0.53269(9) 0.0301(4) Uani 1 1 d . . . . .
109A H 0.967632 -0.126619 0.506767 0.036 Uiso 1 1 d R U . . .
109B H 1.014491 -0.159989 0.576677 0.036 Uiso 1 1 d R U . . .
109C H 0.908792 -0.113789 0.528897 0.036 Uiso 1 1 d R U . . .
C105 C 0.77533(15) 0.13790(16) 0.38998(10) 0.0330(4) Uani 1 1 d . . . . .
H105 H 0.796960 0.199645 0.382336 0.040 Uiso 1 1 d R U . . .
C103 C 0.69496(15) 0.06082(17) 0.42292(10) 0.0333(4) Uani 1 1 d . . . . .
H103 H 0.661900 0.070778 0.437255 0.040 Uiso 1 1 d R U . . .
C3 C 0.77594(16) -0.07566(17) 0.57483(10) 0.0348(5) Uani 1 1 d . . . . .
H3 H 0.790648 -0.089493 0.549133 0.042 Uiso 1 1 d R U . . .
C8 C 0.95319(15) 0.14468(18) 0.75853(10) 0.0373(5) Uani 1 1 d . . . . .
H8A H 0.910190 0.116846 0.763983 0.045 Uiso 1 1 d R U . . .
H8B H 1.018080 0.143676 0.799053 0.045 Uiso 1 1 d R U . . .
H8C H 0.948980 0.098506 0.728523 0.045 Uiso 1 1 d R U . . .
C13 C 0.50058(14) 0.32755(19) 0.51332(11) 0.0402(5) Uani 1 1 d . . . . .
H13A H 0.500335 0.294921 0.544803 0.048 Uiso 1 1 d R U . . .
H13B H 0.436216 0.327531 0.472342 0.048 Uiso 1 1 d R U . . .
H13C H 0.523835 0.402761 0.525462 0.048 Uiso 1 1 d R U . . .
C116 C 0.99124(15) -0.13816(18) 0.40979(12) 0.0396(5) Uani 1 1 d . . . . .
116A H 1.032229 -0.178100 0.449651 0.048 Uiso 1 1 d R U . . .
116B H 0.981609 -0.063690 0.417261 0.048 Uiso 1 1 d R U . . .
116C H 1.020989 -0.135460 0.391611 0.048 Uiso 1 1 d R U . . .
C104 C 0.72783(14) 0.15230(16) 0.41204(9) 0.0317(4) Uani 1 1 d . . . . .
H104 H 0.717553 0.223657 0.419529 0.038 Uiso 1 1 d R U . . .
C7 C 0.92526(12) 0.26388(16) 0.73336(8) 0.0255(4) Uani 1 1 d . . . . .
C114 C 0.60349(17) -0.33235(19) 0.22435(10) 0.0406(5) Uani 1 1 d . . . . .
114A H 0.655518 -0.303193 0.228143 0.049 Uiso 1 1 d R U . . .
114B H 0.544648 -0.328703 0.180383 0.049 Uiso 1 1 d R U . . .
114C H 0.616868 -0.408463 0.238513 0.049 Uiso 1 1 d R U . . .
C113 C 0.57158(16) -0.14223(18) 0.24342(10) 0.0410(5) Uani 1 1 d . . . . .
113A H 0.555715 -0.101787 0.265235 0.049 Uiso 1 1 d R U . . .
113B H 0.518255 -0.139177 0.198004 0.049 Uiso 1 1 d R U . . .
113C H 0.627395 -0.109447 0.253085 0.049 Uiso 1 1 d R U . . .
C111 C 0.59300(13) -0.26314(17) 0.26561(8) 0.0284(4) Uani 1 1 d . . . . .
C12 C 0.53182(14) 0.14005(18) 0.49172(11) 0.0435(6) Uani 1 1 d . . . . .
H12A H 0.572269 0.099268 0.487608 0.052 Uiso 1 1 d R U . . .
H12B H 0.466399 0.138087 0.451738 0.052 Uiso 1 1 d R U . . .
H12C H 0.535248 0.106878 0.524657 0.052 Uiso 1 1 d R U . . .
C108 C 0.89899(18) -0.32612(19) 0.55179(10) 0.0414(5) Uani 1 1 d . . . . .
108A H 0.852577 -0.281370 0.548314 0.050 Uiso 1 1 d R U . . .
108B H 0.958297 -0.327650 0.595644 0.050 Uiso 1 1 d R U . . .
108C H 0.874697 -0.400620 0.537754 0.050 Uiso 1 1 d R U . . .
C9 C 0.93473(15) 0.33958(18) 0.78150(9) 0.0360(5) Uani 1 1 d . . . . .
H9A H 0.917447 0.414404 0.765248 0.043 Uiso 1 1 d R U . . .
H9B H 1.000179 0.338234 0.821468 0.043 Uiso 1 1 d R U . . .
H9C H 0.892647 0.313614 0.788118 0.043 Uiso 1 1 d R U . . .
C110 C 0.99185(16) -0.3485(2) 0.51705(11) 0.0467(6) Uani 1 1 d . . . . .
110A H 0.968435 -0.423522 0.504263 0.056 Uiso 1 1 d R U . . .
110B H 1.051016 -0.347922 0.560963 0.056 Uiso 1 1 d R U . . .
110C H 1.003166 -0.319052 0.490333 0.056 Uiso 1 1 d R U . . .
C10 C 0.99282(14) 0.3059(2) 0.72361(11) 0.0416(5) Uani 1 1 d . . . . .
H10A H 0.989460 0.257029 0.694798 0.050 Uiso 1 1 d R U . . .
H10B H 1.057769 0.307870 0.764038 0.050 Uiso 1 1 d R U . . .
H10C H 0.973550 0.379589 0.705688 0.050 Uiso 1 1 d R U . . .
C14 C 0.56110(17) 0.3109(2) 0.45638(10) 0.0456(6) Uani 1 1 d . . . . .
H14A H 0.581979 0.387129 0.466734 0.055 Uiso 1 1 d R U . . .
H14B H 0.495979 0.307709 0.416164 0.055 Uiso 1 1 d R U . . .
H14C H 0.602389 0.269579 0.453234 0.055 Uiso 1 1 d R U . . .
C112 C 0.50974(15) -0.3101(2) 0.25879(11) 0.0471(6) Uani 1 1 d . . . . .
112A H 0.523260 -0.386160 0.273122 0.056 Uiso 1 1 d R U . . .
112B H 0.451390 -0.306900 0.214652 0.056 Uiso 1 1 d R U . . .
112C H 0.502171 -0.266850 0.284342 0.056 Uiso 1 1 d 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
0 -1 1 0.198
0 1 -1 0.279
0 1 1 0.133
0 -1 -1 0.124
1 0 0 0.140
-1 0 0 0.104
1 0 -1 0.192
1 0 1 0.193
-1 0 1 0.152
1 -1 -1 0.127
-1 1 1 0.114
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 P1 N2 94.35(7) . . ?
N1 P1 C1 113.25(8) . . ?
N2 P1 C1 112.40(8) . . ?
N1 P1 Si1 114.16(6) . . ?
N2 P1 Si1 112.41(6) . . ?
C1 P1 Si1 109.63(6) . . ?
N1 P1 Al1 47.20(5) . . ?
N2 P1 Al1 47.17(5) . . ?
C1 P1 Al1 126.04(6) . . ?
Si1 P1 Al1 124.31(3) . . ?
N4 P2 N3 94.29(7) . . ?
N4 P2 C101 112.80(8) . . ?
N3 P2 C101 112.30(8) . . ?
N4 P2 Si2 114.24(6) . . ?
N3 P2 Si2 111.62(6) . . ?
C101 P2 Si2 110.71(6) . . ?
N4 P2 Al2 47.24(5) . . ?
N3 P2 Al2 47.05(5) . . ?
C101 P2 Al2 124.96(6) . . ?
Si2 P2 Al2 124.29(3) . . ?
N3 Al2 N4 76.61(6) . . ?
N3 Al2 C117 115.59(8) . . ?
N4 Al2 C117 115.48(8) . . ?
N3 Al2 C118 114.72(9) . . ?
N4 Al2 C118 115.91(8) . . ?
C117 Al2 C118 113.66(9) . . ?
N3 Al2 P2 38.32(4) . . ?
N4 Al2 P2 38.30(4) . . ?
C117 Al2 P2 122.85(7) . . ?
C118 Al2 P2 123.49(7) . . ?
N2 Al1 N1 76.90(6) . . ?
N2 Al1 C18 116.23(8) . . ?
N1 Al1 C18 115.11(8) . . ?
N2 Al1 C17 114.15(8) . . ?
N1 Al1 C17 115.48(8) . . ?
C18 Al1 C17 114.02(9) . . ?
N2 Al1 P1 38.56(4) . . ?
N1 Al1 P1 38.36(4) . . ?
C18 Al1 P1 122.67(7) . . ?
C17 Al1 P1 123.32(7) . . ?
C115 Si2 C116 114.12(10) . . ?
C115 Si2 Cl2 108.61(8) . . ?
C116 Si2 Cl2 105.30(8) . . ?
C115 Si2 P2 104.86(7) . . ?
C116 Si2 P2 115.24(7) . . ?
Cl2 Si2 P2 108.53(3) . . ?
C15' Si1 C16 113.5(14) . . ?
C16 Si1 C15 106.0(4) . . ?
C15' Si1 Cl1' 4.0(17) . . ?
C16 Si1 Cl1' 114.4(3) . . ?
C16 Si1 Cl1 108.49(11) . . ?
C15 Si1 Cl1 3.6(4) . . ?
C15' Si1 P1 116.4(14) . . ?
C16 Si1 P1 106.43(7) . . ?
C15 Si1 P1 110.8(4) . . ?
Cl1' Si1 P1 112.6(3) . . ?
Cl1 Si1 P1 107.36(7) . . ?
C11 N2 P1 131.95(12) . . ?
C11 N2 Al1 133.69(12) . . ?
P1 N2 Al1 94.27(7) . . ?
C111 N4 P2 132.89(13) . . ?
C111 N4 Al2 132.65(12) . . ?
P2 N4 Al2 94.46(7) . . ?
C107 N3 P2 132.72(12) . . ?
C107 N3 Al2 132.62(12) . . ?
P2 N3 Al2 94.62(7) . . ?
C7 N1 P1 133.38(12) . . ?
C7 N1 Al1 132.17(12) . . ?
P1 N1 Al1 94.44(7) . . ?
C2 C1 C6 118.96(16) . . ?
C2 C1 P1 117.00(13) . . ?
C6 C1 P1 124.04(14) . . ?
C106 C101 C102 119.01(16) . . ?
C106 C101 P2 124.30(14) . . ?
C102 C101 P2 116.69(13) . . ?
C5 C6 C1 120.34(17) . . ?
N3 C107 C108 106.85(16) . . ?
N3 C107 C110 110.35(15) . . ?
C108 C107 C110 108.54(18) . . ?
N3 C107 C109 112.36(15) . . ?
C108 C107 C109 108.91(16) . . ?
C110 C107 C109 109.72(17) . . ?
C3 C2 C1 120.35(18) . . ?
C4 C5 C6 120.13(17) . . ?
C5 C4 C3 119.81(18) . . ?
C101 C106 C105 120.17(18) . . ?
N2 C11 C13 110.67(16) . . ?
N2 C11 C12 112.15(15) . . ?
C13 C11 C12 110.20(18) . . ?
N2 C11 C14 106.43(16) . . ?
C13 C11 C14 108.34(18) . . ?
C12 C11 C14 108.91(19) . . ?
C103 C102 C101 120.34(18) . . ?
C104 C105 C106 120.21(19) . . ?
C104 C103 C102 120.28(19) . . ?
C2 C3 C4 120.38(19) . . ?
C105 C104 C103 119.98(18) . . ?
N1 C7 C8 112.37(15) . . ?
N1 C7 C10 106.29(15) . . ?
C8 C7 C10 108.84(17) . . ?
N1 C7 C9 109.98(15) . . ?
C8 C7 C9 110.39(16) . . ?
C10 C7 C9 108.84(17) . . ?
N4 C111 C113 112.48(16) . . ?
N4 C111 C112 106.34(16) . . ?
C113 C111 C112 109.29(19) . . ?
N4 C111 C114 109.84(16) . . ?
C113 C111 C114 110.04(18) . . ?
C112 C111 C114 108.72(18) . . ?
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
P1 N1 1.6181(14) . ?
P1 N2 1.6247(14) . ?
P1 C1 1.8088(17) . ?
P1 Si1 2.2877(6) . ?
P1 Al1 2.5995(7) . ?
P2 N4 1.6211(14) . ?
P2 N3 1.6223(14) . ?
P2 C101 1.8082(17) . ?
P2 Si2 2.2928(6) . ?
P2 Al2 2.6077(7) . ?
Al2 N3 1.9151(15) . ?
Al2 N4 1.9204(15) . ?
Al2 C117 1.961(2) . ?
Al2 C118 1.968(2) . ?
Al1 N2 1.9119(15) . ?
Al1 N1 1.9132(15) . ?
Al1 C18 1.961(2) . ?
Al1 C17 1.967(2) . ?
Si2 C115 1.8479(19) . ?
Si2 C116 1.865(2) . ?
Si2 Cl2 2.0646(8) . ?
Cl1 Si1 2.1040(15) . ?
C15 Si1 1.869(7) . ?
C15' Si1 1.834(10) . ?
Cl1' Si1 1.938(3) . ?
Si1 C16 1.843(2) . ?
N2 C11 1.474(2) . ?
N4 C111 1.475(2) . ?
N3 C107 1.474(2) . ?
N1 C7 1.473(2) . ?
C1 C2 1.389(2) . ?
C1 C6 1.391(2) . ?
C101 C106 1.387(3) . ?
C101 C102 1.391(3) . ?
C6 C5 1.388(3) . ?
C107 C108 1.522(3) . ?
C107 C110 1.524(3) . ?
C107 C109 1.528(3) . ?
C2 C3 1.378(3) . ?
C5 C4 1.374(3) . ?
C4 C3 1.385(3) . ?
C106 C105 1.394(3) . ?
C11 C13 1.519(3) . ?
C11 C12 1.520(3) . ?
C11 C14 1.529(3) . ?
C102 C103 1.382(3) . ?
C105 C104 1.371(3) . ?
C103 C104 1.380(3) . ?
C8 C7 1.525(3) . ?
C7 C10 1.525(3) . ?
C7 C9 1.527(3) . ?
C114 C111 1.526(3) . ?
C113 C111 1.523(3) . ?
C111 C112 1.526(3) . ?
