#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:09:42 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179679 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/01/7000172.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_7000172
loop_
_publ_author_name
'Minasian, Stefan G.'
'Arnold, John'
_publ_section_title
;
 Aluminium, zinc, gallium, and cadmium complexes supported by a
 monoanionic [N2P2] ligand
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              106
_journal_page_last               110
_journal_paper_doi               10.1039/b815854a
_journal_year                    2009
_chemical_formula_moiety         'C22 H51 Al Cl2 N2 P2 Si'
_chemical_formula_sum            'C22 H51 Al Cl2 N2 P2 Si'
_chemical_formula_weight         531.56
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.071(2)
_cell_angle_beta                 91.737(2)
_cell_angle_gamma                96.951(2)
_cell_formula_units_Z            2
_cell_length_a                   7.8709(9)
_cell_length_b                   13.2010(15)
_cell_length_c                   15.9297(18)
_cell_measurement_reflns_used    7758
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      33.37
_cell_measurement_theta_min      2.68
_cell_volume                     1548.5(3)
_computing_cell_refinement       'Bruker SAINT v7.23a'
_computing_data_reduction        'Bruker SAINT v7.07'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Beamline 11.3.1 ALS'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirrors
_diffrn_radiation_source         syncrotron
_diffrn_radiation_wavelength     0.77490
_diffrn_reflns_av_R_equivalents  0.0660
_diffrn_reflns_av_sigmaI/netI    0.0703
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            27403
_diffrn_reflns_theta_full        33.75
_diffrn_reflns_theta_max         33.75
_diffrn_reflns_theta_min         1.80
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.387
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.615954
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.140
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.434
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         9502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0803P)²+0.4556P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1495
_refine_ls_wR_factor_ref         0.1597
_reflns_number_gt                7500
_reflns_number_total             9502
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b815854a.txt
_cod_data_source_block           sgm332
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000172
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.55361(6) 0.05011(4) 0.31044(3) 0.03606(12) Uani 1 1 d . . .
Cl2 Cl 0.63051(7) 0.31392(4) 0.42421(4) 0.04582(14) Uani 1 1 d . . .
P2 P 0.23286(6) 0.21472(4) 0.45233(3) 0.03037(11) Uani 1 1 d . . .
P1 P -0.07448(8) -0.22679(4) 0.20281(4) 0.03941(13) Uani 1 1 d . . .
Si1 Si 0.24537(7) 0.13121(4) 0.16771(3) 0.03231(12) Uani 1 1 d . . .
Al1 Al 0.42759(7) 0.19385(4) 0.33246(4) 0.02834(12) Uani 1 1 d . . .
N1 N 0.16757(18) 0.08752(12) 0.25570(10) 0.0278(3) Uani 1 1 d . . .
N2 N 0.3890(2) 0.23565(13) 0.23469(11) 0.0318(3) Uani 1 1 d . . .
C9 C 0.0271(2) 0.14594(15) 0.29884(12) 0.0294(3) Uani 1 1 d . . .
H9A H -0.0839 0.1078 0.2665 0.035 Uiso 1 1 calc R . .
H9B H 0.0428 0.2197 0.2947 0.035 Uiso 1 1 calc R . .
C10 C 0.0216(2) 0.15425(16) 0.39691(13) 0.0319(4) Uani 1 1 d . . .
H10A H -0.0086 0.0814 0.4017 0.038 Uiso 1 1 calc R . .
H10B H -0.0660 0.1997 0.4251 0.038 Uiso 1 1 calc R . .
C7 C 0.1403(2) -0.02866(14) 0.24568(13) 0.0321(4) Uani 1 1 d . . .
H7A H 0.1338 -0.0353 0.3057 0.038 Uiso 1 1 calc R . .
H7B H 0.2418 -0.0612 0.2197 0.038 Uiso 1 1 calc R . .
C4 C 0.4948(3) 0.31840(19) 0.20620(16) 0.0430(5) Uani 1 1 d . . .
C8 C -0.0195(3) -0.09414(15) 0.18818(14) 0.0365(4) Uani 1 1 d . . .
H8A H -0.0005 -0.1054 0.1248 0.044 Uiso 1 1 calc R . .
H8B H -0.1173 -0.0526 0.2036 0.044 Uiso 1 1 calc R . .
C22 C 0.1624(3) 0.41111(17) 0.44642(17) 0.0457(5) Uani 1 1 d . . .
H22A H 0.1549 0.4875 0.4782 0.069 Uiso 1 1 calc R . .
H22B H 0.0498 0.3746 0.4170 0.069 Uiso 1 1 calc R . .
H22C H 0.2465 0.4056 0.4016 0.069 Uiso 1 1 calc R . .
C20 C 0.2183(3) 0.35757(18) 0.51256(14) 0.0418(5) Uani 1 1 d . . .
H20A H 0.3364 0.3935 0.5383 0.050 Uiso 1 1 calc R . .
C19 C 0.2659(3) 0.0291(2) 0.49509(17) 0.0491(5) Uani 1 1 d . . .
H19A H 0.2875 -0.0019 0.5419 0.074 Uiso 1 1 calc R . .
H19B H 0.3542 0.0136 0.4524 0.074 Uiso 1 1 calc R . .
H19C H 0.1527 -0.0029 0.4643 0.074 Uiso 1 1 calc R . .
C17 C 0.2709(3) 0.1506(2) 0.53652(14) 0.0433(5) Uani 1 1 d . . .
H17A H 0.1774 0.1642 0.5782 0.052 Uiso 1 1 calc R . .
C11 C -0.2559(3) -0.28420(17) 0.11642(15) 0.0421(5) Uani 1 1 d . . .
H11A H -0.2138 -0.2837 0.0579 0.051 Uiso 1 1 calc R . .
C6 C 0.3386(3) 0.0199(2) 0.08565(15) 0.0483(5) Uani 1 1 d . . .
H6A H 0.2730 -0.0014 0.0279 0.072 Uiso 1 1 calc R . .
H6B H 0.3335 -0.0423 0.1066 0.072 Uiso 1 1 calc R . .
H6C H 0.4584 0.0450 0.0794 0.072 Uiso 1 1 calc R . .
C5 C 0.0641(3) 0.1616(2) 0.10625(16) 0.0512(6) Uani 1 1 d . . .
H5A H 0.0513 0.1120 0.0446 0.077 Uiso 1 1 calc R . .
H5B H 0.0877 0.2363 0.1066 0.077 Uiso 1 1 calc R . .
H5C H -0.0420 0.1525 0.1352 0.077 Uiso 1 1 calc R . .
C16 C 0.1218(4) -0.3200(3) 0.0538(2) 0.0687(8) Uani 1 1 d . . .
H16A H 0.2226 -0.3562 0.0349 0.103 Uiso 1 1 calc R . .
H16B H 0.1329 -0.2517 0.0412 0.103 Uiso 1 1 calc R . .
H16C H 0.0182 -0.3669 0.0211 0.103 Uiso 1 1 calc R . .
C21 C 0.1023(4) 0.3756(2) 0.58934(16) 0.0582(7) Uani 1 1 d . . .
H21A H 0.1013 0.4534 0.6184 0.087 Uiso 1 1 calc R . .
H21B H 0.1454 0.3446 0.6326 0.087 Uiso 1 1 calc R . .
H21C H -0.0146 0.3404 0.5665 0.087 Uiso 1 1 calc R . .
C14 C 0.1093(4) -0.2975(2) 0.1515(2) 0.0566(6) Uani 1 1 d . . .
H14A H 0.2142 -0.2452 0.1800 0.068 Uiso 1 1 calc R . .
C3 C 0.4873(4) 0.4315(2) 0.2721(2) 0.0567(6) Uani 1 1 d . . .
H3A H 0.5326 0.4357 0.3314 0.085 Uiso 1 1 calc R . .
H3B H 0.3680 0.4460 0.2748 0.085 Uiso 1 1 calc R . .
H3C H 0.5564 0.4854 0.2526 0.085 Uiso 1 1 calc R . .
C1 C 0.4242(4) 0.3175(3) 0.11526(19) 0.0641(8) Uani 1 1 d . . .
H1A H 0.4269 0.2460 0.0709 0.096 Uiso 1 1 calc R . .
H1B H 0.4949 0.3725 0.0976 0.096 Uiso 1 1 calc R . .
H1C H 0.3057 0.3333 0.1191 0.096 Uiso 1 1 calc R . .
C18 C 0.4430(4) 0.2028(3) 0.59091(19) 0.0623(7) Uani 1 1 d . . .
H18A H 0.4621 0.1681 0.6355 0.093 Uiso 1 1 calc R . .
H18B H 0.4399 0.2802 0.6208 0.093 Uiso 1 1 calc R . .
H18C H 0.5364 0.1933 0.5510 0.093 Uiso 1 1 calc R . .
C2 C 0.6795(3) 0.2942(3) 0.1983(2) 0.0647(8) Uani 1 1 d . . .
H2A H 0.7271 0.2946 0.2560 0.097 Uiso 1 1 calc R . .
H2B H 0.7484 0.3495 0.1803 0.097 Uiso 1 1 calc R . .
H2C H 0.6815 0.2229 0.1535 0.097 Uiso 1 1 calc R . .
C12 C -0.4003(3) -0.2153(3) 0.1374(2) 0.0698(9) Uani 1 1 d . . .
H12A H -0.4950 -0.2467 0.0913 0.105 Uiso 1 1 calc R . .
H12B H -0.3581 -0.1417 0.1390 0.105 Uiso 1 1 calc R . .
H12C H -0.4408 -0.2130 0.1955 0.105 Uiso 1 1 calc R . .
C15 C 0.1282(6) -0.3959(3) 0.1775(3) 0.0996(14) Uani 1 1 d . . .
H15A H 0.2262 -0.4291 0.1496 0.149 Uiso 1 1 calc R . .
H15B H 0.0235 -0.4482 0.1574 0.149 Uiso 1 1 calc R . .
H15C H 0.1472 -0.3743 0.2424 0.149 Uiso 1 1 calc R . .
C13 C -0.3209(5) -0.4004(2) 0.1083(3) 0.0832(11) Uani 1 1 d . . .
H13A H -0.4165 -0.4288 0.0624 0.125 Uiso 1 1 calc R . .
H13B H -0.3602 -0.4027 0.1655 0.125 Uiso 1 1 calc R . .
H13C H -0.2279 -0.4446 0.0917 0.125 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0020 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 0.0567 0.0519 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0718 0.0712 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1240 0.1597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.0879 0.0952 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N -0.0030 0.0033 '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
C10 P2 C20 106.60(9) . . ?
C10 P2 C17 106.80(10) . . ?
C20 P2 C17 107.04(11) . . ?
C10 P2 Al1 105.38(6) . . ?
C20 P2 Al1 111.79(8) . . ?
C17 P2 Al1 118.53(7) . . ?
C8 P1 C11 99.15(10) . . ?
C8 P1 C14 100.96(11) . . ?
C11 P1 C14 104.24(12) . . ?
N2 Si1 N1 95.10(7) . . ?
N2 Si1 C5 119.04(11) . . ?
N1 Si1 C5 109.86(9) . . ?
N2 Si1 C6 115.95(10) . . ?
N1 Si1 C6 109.77(10) . . ?
C5 Si1 C6 106.40(12) . . ?
N2 Si1 Al1 40.38(5) . . ?
N1 Si1 Al1 58.38(5) . . ?
C5 Si1 Al1 143.19(9) . . ?
C6 Si1 Al1 110.39(9) . . ?
N2 Al1 Cl1 116.57(6) . . ?
N2 Al1 Cl2 108.56(6) . . ?
Cl1 Al1 Cl2 98.30(3) . . ?
N2 Al1 N1 73.68(6) . . ?
Cl1 Al1 N1 91.58(4) . . ?
Cl2 Al1 N1 167.20(5) . . ?
N2 Al1 P2 123.66(6) . . ?
Cl1 Al1 P2 111.48(3) . . ?
Cl2 Al1 P2 91.32(3) . . ?
N1 Al1 P2 77.44(4) . . ?
N2 Al1 Si1 36.82(5) . . ?
Cl1 Al1 Si1 97.81(3) . . ?
Cl2 Al1 Si1 145.18(3) . . ?
N1 Al1 Si1 39.46(4) . . ?
P2 Al1 Si1 110.97(3) . . ?
C7 N1 C9 113.05(14) . . ?
C7 N1 Si1 120.70(12) . . ?
C9 N1 Si1 112.56(11) . . ?
C7 N1 Al1 118.25(11) . . ?
C9 N1 Al1 105.90(10) . . ?
Si1 N1 Al1 82.16(6) . . ?
C4 N2 Si1 125.85(14) . . ?
C4 N2 Al1 128.65(14) . . ?
Si1 N2 Al1 102.81(8) . . ?
N1 C9 C10 112.26(14) . . ?
N1 C9 H9A 109.2 . . ?
C10 C9 H9A 109.2 . . ?
N1 C9 H9B 109.2 . . ?
C10 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C9 C10 P2 107.97(12) . . ?
C9 C10 H10A 110.1 . . ?
P2 C10 H10A 110.1 . . ?
C9 C10 H10B 110.1 . . ?
P2 C10 H10B 110.1 . . ?
H10A C10 H10B 108.4 . . ?
N1 C7 C8 115.55(15) . . ?
N1 C7 H7A 108.4 . . ?
C8 C7 H7A 108.4 . . ?
N1 C7 H7B 108.4 . . ?
C8 C7 H7B 108.4 . . ?
H7A C7 H7B 107.5 . . ?
N2 C4 C2 110.03(19) . . ?
N2 C4 C3 110.07(18) . . ?
C2 C4 C3 111.0(2) . . ?
N2 C4 C1 110.53(19) . . ?
C2 C4 C1 108.2(2) . . ?
C3 C4 C1 106.9(2) . . ?
C7 C8 P1 112.44(14) . . ?
C7 C8 H8A 109.1 . . ?
P1 C8 H8A 109.1 . . ?
C7 C8 H8B 109.1 . . ?
P1 C8 H8B 109.1 . . ?
H8A C8 H8B 107.8 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C20 C22 111.20(19) . . ?
C21 C20 P2 114.11(18) . . ?
C22 C20 P2 109.14(14) . . ?
C21 C20 H20A 107.4 . . ?
C22 C20 H20A 107.4 . . ?
P2 C20 H20A 107.4 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C19 C17 C18 110.9(2) . . ?
C19 C17 P2 111.94(15) . . ?
C18 C17 P2 110.10(18) . . ?
C19 C17 H17A 107.9 . . ?
C18 C17 H17A 107.9 . . ?
P2 C17 H17A 107.9 . . ?
C12 C11 C13 110.4(2) . . ?
C12 C11 P1 110.44(16) . . ?
C13 C11 P1 111.0(2) . . ?
C12 C11 H11A 108.3 . . ?
C13 C11 H11A 108.3 . . ?
P1 C11 H11A 108.3 . . ?
Si1 C6 H6A 109.5 . . ?
Si1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si1 C5 H5A 109.5 . . ?
Si1 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
Si1 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 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 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C16 C14 C15 111.8(3) . . ?
C16 C14 P1 116.9(2) . . ?
C15 C14 P1 112.8(3) . . ?
C16 C14 H14A 104.6 . . ?
C15 C14 H14A 104.6 . . ?
P1 C14 H14A 104.6 . . ?
C4 C3 H3A 109.5 . . ?
C4 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C4 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C4 C1 H1A 109.5 . . ?
C4 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
C4 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C4 C2 H2A 109.5 . . ?
C4 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C4 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
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 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 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
Cl1 Al1 2.1792(7) . ?
Cl2 Al1 2.2206(7) . ?
P2 C10 1.8193(19) . ?
P2 C20 1.835(2) . ?
P2 C17 1.839(2) . ?
P2 Al1 2.4509(7) . ?
P1 C8 1.843(2) . ?
P1 C11 1.856(2) . ?
P1 C14 1.880(3) . ?
Si1 N2 1.7048(17) . ?
Si1 N1 1.7796(16) . ?
Si1 C5 1.861(2) . ?
Si1 C6 1.862(2) . ?
Si1 Al1 2.7741(8) . ?
Al1 N2 1.8429(17) . ?
Al1 N1 2.3844(16) . ?
N1 C7 1.477(2) . ?
N1 C9 1.481(2) . ?
N2 C4 1.490(2) . ?
C9 C10 1.532(3) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C7 C8 1.522(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C4 C2 1.526(3) . ?
C4 C3 1.529(4) . ?
C4 C1 1.531(3) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C22 C20 1.529(3) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C20 C21 1.522(3) . ?
C20 H20A 1.0000 . ?
C19 C17 1.517(4) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C17 C18 1.540(4) . ?
C17 H17A 1.0000 . ?
C11 C12 1.519(4) . ?
C11 C13 1.519(3) . ?
C11 H11A 1.0000 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C16 C14 1.495(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C14 C15 1.508(4) . ?
C14 H14A 1.0000 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 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
C10 P2 Al1 N2 51.36(10) . . . . ?
C20 P2 Al1 N2 -64.04(10) . . . . ?
C17 P2 Al1 N2 170.75(11) . . . . ?
C10 P2 Al1 Cl1 -95.74(7) . . . . ?
C20 P2 Al1 Cl1 148.85(8) . . . . ?
C17 P2 Al1 Cl1 23.65(10) . . . . ?
C10 P2 Al1 Cl2 164.81(7) . . . . ?
C20 P2 Al1 Cl2 49.40(8) . . . . ?
C17 P2 Al1 Cl2 -75.81(10) . . . . ?
C10 P2 Al1 N1 -9.03(7) . . . . ?
C20 P2 Al1 N1 -124.43(9) . . . . ?
C17 P2 Al1 N1 110.36(10) . . . . ?
C10 P2 Al1 Si1 12.15(7) . . . . ?
C20 P2 Al1 Si1 -103.25(8) . . . . ?
C17 P2 Al1 Si1 131.54(9) . . . . ?
N1 Si1 Al1 N2 -152.29(11) . . . . ?
C5 Si1 Al1 N2 -71.31(17) . . . . ?
C6 Si1 Al1 N2 106.47(12) . . . . ?
N2 Si1 Al1 Cl1 -124.77(9) . . . . ?
N1 Si1 Al1 Cl1 82.94(6) . . . . ?
C5 Si1 Al1 Cl1 163.93(14) . . . . ?
C6 Si1 Al1 Cl1 -18.30(9) . . . . ?
N2 Si1 Al1 Cl2 -7.87(10) . . . . ?
N1 Si1 Al1 Cl2 -160.15(8) . . . . ?
C5 Si1 Al1 Cl2 -79.17(15) . . . . ?
C6 Si1 Al1 Cl2 98.61(10) . . . . ?
N2 Si1 Al1 N1 152.29(11) . . . . ?
C5 Si1 Al1 N1 80.98(15) . . . . ?
C6 Si1 Al1 N1 -101.24(10) . . . . ?
N2 Si1 Al1 P2 118.59(9) . . . . ?
N1 Si1 Al1 P2 -33.70(6) . . . . ?
C5 Si1 Al1 P2 47.28(15) . . . . ?
C6 Si1 Al1 P2 -134.94(9) . . . . ?
N2 Si1 N1 C7 -135.89(14) . . . . ?
C5 Si1 N1 C7 100.71(16) . . . . ?
C6 Si1 N1 C7 -15.97(17) . . . . ?
Al1 Si1 N1 C7 -118.29(14) . . . . ?
N2 Si1 N1 C9 86.41(13) . . . . ?
C5 Si1 N1 C9 -36.99(16) . . . . ?
C6 Si1 N1 C9 -153.66(13) . . . . ?
Al1 Si1 N1 C9 104.02(12) . . . . ?
N2 Si1 N1 Al1 -17.60(7) . . . . ?
C5 Si1 N1 Al1 -141.01(10) . . . . ?
C6 Si1 N1 Al1 102.32(9) . . . . ?
N2 Al1 N1 C7 137.61(14) . . . . ?
Cl1 Al1 N1 C7 20.34(12) . . . . ?
Cl2 Al1 N1 C7 -120.3(2) . . . . ?
P2 Al1 N1 C7 -91.33(12) . . . . ?
Si1 Al1 N1 C7 120.73(14) . . . . ?
N2 Al1 N1 C9 -94.43(12) . . . . ?
Cl1 Al1 N1 C9 148.30(10) . . . . ?
Cl2 Al1 N1 C9 7.6(3) . . . . ?
P2 Al1 N1 C9 36.63(10) . . . . ?
Si1 Al1 N1 C9 -111.31(12) . . . . ?
N2 Al1 N1 Si1 16.88(7) . . . . ?
Cl1 Al1 N1 Si1 -100.39(5) . . . . ?
Cl2 Al1 N1 Si1 118.9(2) . . . . ?
P2 Al1 N1 Si1 147.94(5) . . . . ?
N1 Si1 N2 C4 -173.95(17) . . . . ?
C5 Si1 N2 C4 -57.9(2) . . . . ?
C6 Si1 N2 C4 71.1(2) . . . . ?
Al1 Si1 N2 C4 162.6(2) . . . . ?
N1 Si1 N2 Al1 23.43(9) . . . . ?
C5 Si1 N2 Al1 139.52(10) . . . . ?
C6 Si1 N2 Al1 -91.48(12) . . . . ?
Cl1 Al1 N2 C4 -96.44(18) . . . . ?
Cl2 Al1 N2 C4 13.33(19) . . . . ?
N1 Al1 N2 C4 -179.88(19) . . . . ?
P2 Al1 N2 C4 117.97(17) . . . . ?
Si1 Al1 N2 C4 -161.9(2) . . . . ?
Cl1 Al1 N2 Si1 65.50(9) . . . . ?
Cl2 Al1 N2 Si1 175.27(6) . . . . ?
N1 Al1 N2 Si1 -17.94(7) . . . . ?
P2 Al1 N2 Si1 -80.09(9) . . . . ?
C7 N1 C9 C10 68.05(19) . . . . ?
Si1 N1 C9 C10 -150.92(12) . . . . ?
Al1 N1 C9 C10 -62.94(15) . . . . ?
N1 C9 C10 P2 54.27(17) . . . . ?
C20 P2 C10 C9 100.89(14) . . . . ?
C17 P2 C10 C9 -144.95(13) . . . . ?
Al1 P2 C10 C9 -18.04(13) . . . . ?
C9 N1 C7 C8 61.4(2) . . . . ?
Si1 N1 C7 C8 -76.13(19) . . . . ?
Al1 N1 C7 C8 -174.12(13) . . . . ?
Si1 N2 C4 C2 -103.8(2) . . . . ?
Al1 N2 C4 C2 54.3(3) . . . . ?
Si1 N2 C4 C3 133.52(19) . . . . ?
Al1 N2 C4 C3 -68.4(2) . . . . ?
Si1 N2 C4 C1 15.7(3) . . . . ?
Al1 N2 C4 C1 173.76(18) . . . . ?
N1 C7 C8 P1 -164.91(13) . . . . ?
C11 P1 C8 C7 -174.79(15) . . . . ?
C14 P1 C8 C7 -68.23(17) . . . . ?
C10 P2 C20 C21 66.75(19) . . . . ?
C17 P2 C20 C21 -47.3(2) . . . . ?
Al1 P2 C20 C21 -178.59(15) . . . . ?
C10 P2 C20 C22 -58.33(18) . . . . ?
C17 P2 C20 C22 -172.33(16) . . . . ?
Al1 P2 C20 C22 56.33(17) . . . . ?
C10 P2 C17 C19 59.84(18) . . . . ?
C20 P2 C17 C19 173.70(16) . . . . ?
Al1 P2 C17 C19 -58.82(18) . . . . ?
C10 P2 C17 C18 -176.31(17) . . . . ?
C20 P2 C17 C18 -62.4(2) . . . . ?
Al1 P2 C17 C18 65.04(19) . . . . ?
C8 P1 C11 C12 -61.4(2) . . . . ?
C14 P1 C11 C12 -165.3(2) . . . . ?
C8 P1 C11 C13 175.7(2) . . . . ?
C14 P1 C11 C13 71.9(2) . . . . ?
C8 P1 C14 C16 -65.3(2) . . . . ?
C11 P1 C14 C16 37.1(2) . . . . ?
C8 P1 C14 C15 162.9(3) . . . . ?
C11 P1 C14 C15 -94.6(3) . . . . ?
