#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:11:39 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179956 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/51/7025187.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_7025187
loop_
_publ_author_name
'Valerio Cárdenas, Cintya'
'Muñoz Hernández, Miguel Angel'
'Grévy, Jean-Michel'
_publ_section_title
;
 Reactivity of Zn(II), Mg(II) and Al(III) chlorides with a phosphinimine
 ligand: new tetrameric inverse crown ether structures.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6441
_journal_page_last               6448
_journal_paper_doi               10.1039/b925580j
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C48 H74 Al2 Cl4 N2 O6 P2 Si2'
_chemical_formula_weight         1088.97
_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                114.0080(10)
_cell_angle_beta                 91.232(2)
_cell_angle_gamma                103.912(2)
_cell_formula_units_Z            1
_cell_length_a                   9.3733(9)
_cell_length_b                   11.8131(12)
_cell_length_c                   14.4903(14)
_cell_measurement_temperature    100(2)
_cell_volume                     1409.7(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            11567
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.386
_exptl_absorpt_correction_T_max  0.9479
_exptl_absorpt_correction_T_min  0.9199
_exptl_absorpt_correction_type   numerical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.283
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.443
_refine_diff_density_min         -0.239
_refine_diff_density_rms         0.063
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.800
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     392
_refine_ls_number_reflns         4930
_refine_ls_number_restraints     220
_refine_ls_restrained_S_all      0.791
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0478
_refine_ls_shift/su_max          0.047
_refine_ls_shift/su_mean         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1144P)²+1.8020P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1333
_refine_ls_wR_factor_ref         0.1390
_reflns_number_gt                4511
_reflns_number_total             4930
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b925580j.txt
_cod_data_source_block           complex_7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7025187
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
Al1 Al 1.08818(8) 0.13231(7) 0.57551(5) 0.02490(19) Uani 1 1 d . . .
Cl1 Cl 1.15135(7) 0.24623(6) 0.48971(5) 0.03441(18) Uani 1 1 d . . .
Cl2 Cl 1.27865(7) 0.13281(7) 0.66361(5) 0.03706(19) Uani 1 1 d . . .
N1 N 1.0121(2) 0.25224(19) 0.68950(15) 0.0273(4) Uani 1 1 d . . .
O1 O 0.90068(18) 0.02367(16) 0.53576(13) 0.0282(4) Uani 1 1 d . . .
P1 P 0.83499(7) 0.21933(6) 0.67205(5) 0.02570(18) Uani 1 1 d . . .
Si1 Si 1.12365(8) 0.38520(7) 0.79604(5) 0.0343(2) Uani 1 1 d . . .
C1 C 0.7777(3) 0.0481(2) 0.5873(2) 0.0309(5) Uani 1 1 d . . .
H1A H 0.7535 -0.0040 0.6267 0.037 Uiso 1 1 calc R . .
H1B H 0.6897 0.0275 0.5384 0.037 Uiso 1 1 calc R . .
C2 C 0.7666(3) 0.3027(2) 0.60922(19) 0.0304(5) Uani 1 1 d . . .
C3 C 0.6167(3) 0.2707(3) 0.5742(2) 0.0390(6) Uani 1 1 d . . .
H3 H 0.5484 0.2039 0.5840 0.047 Uiso 1 1 calc R . .
C4 C 0.5668(3) 0.3356(4) 0.5254(3) 0.0517(8) Uani 1 1 d . . .
H4 H 0.4643 0.3136 0.5016 0.062 Uiso 1 1 calc R . .
C5 C 0.6656(4) 0.4323(4) 0.5111(3) 0.0527(8) Uani 1 1 d . . .
H5 H 0.6309 0.4770 0.4778 0.063 Uiso 1 1 calc R . .
C6 C 0.8147(3) 0.4644(3) 0.5451(3) 0.0466(8) Uani 1 1 d . . .
H6 H 0.8824 0.5313 0.5352 0.056 Uiso 1 1 calc R . .
C7 C 0.8656(3) 0.3993(3) 0.5936(2) 0.0354(6) Uani 1 1 d . . .
H7 H 0.9685 0.4207 0.6163 0.042 Uiso 1 1 calc R . .
C8 C 0.7450(3) 0.2377(3) 0.78315(19) 0.0346(6) Uani 1 1 d . . .
C9 C 0.7774(4) 0.1711(3) 0.8378(2) 0.0477(7) Uani 1 1 d . . .
H9 H 0.8427 0.1180 0.8148 0.057 Uiso 1 1 calc R . .
C10 C 0.7142(5) 0.1824(4) 0.9256(3) 0.0660(11) Uani 1 1 d . . .
H10 H 0.7375 0.1386 0.9637 0.079 Uiso 1 1 calc R . .
C11 C 0.6190(4) 0.2565(4) 0.9566(3) 0.0692(12) Uani 1 1 d . . .
H11 H 0.5750 0.2632 1.0165 0.083 Uiso 1 1 calc R . .
C12 C 0.5846(4) 0.3217(4) 0.9037(3) 0.0606(10) Uani 1 1 d . . .
H12 H 0.5170 0.3726 0.9268 0.073 Uiso 1 1 calc R . .
C13 C 0.6486(3) 0.3137(3) 0.8157(2) 0.0435(7) Uani 1 1 d . . .
H13 H 0.6262 0.3595 0.7790 0.052 Uiso 1 1 calc R . .
C14 C 1.2932(3) 0.4601(3) 0.7553(2) 0.0461(7) Uani 1 1 d . . .
H14A H 1.3547 0.4000 0.7319 0.069 Uiso 1 1 calc R . .
H14B H 1.3495 0.5394 0.8129 0.069 Uiso 1 1 calc R . .
H14C H 1.2649 0.4804 0.6995 0.069 Uiso 1 1 calc R . .
C15 C 1.1727(4) 0.3338(3) 0.8947(2) 0.0499(8) Uani 1 1 d . . .
H15A H 1.0824 0.3016 0.9194 0.075 Uiso 1 1 calc R . .
H15B H 1.2396 0.4073 0.9515 0.075 Uiso 1 1 calc R . .
H15C H 1.2222 0.2653 0.8651 0.075 Uiso 1 1 calc R . .
C16 C 1.0235(3) 0.5106(3) 0.8551(2) 0.0476(8) Uani 1 1 d . . .
H16A H 0.9836 0.5310 0.8025 0.071 Uiso 1 1 calc R . .
H16B H 1.0923 0.5885 0.9071 0.071 Uiso 1 1 calc R . .
H16C H 0.9418 0.4781 0.8868 0.071 Uiso 1 1 calc R . .
O2 O 0.755(2) 0.850(2) 0.7886(18) 0.265(10) Uani 0.619(13) 1 d PDU A 1
C17 C 0.673(3) 0.7243(19) 0.7740(16) 0.191(12) Uani 0.619(13) 1 d PDU A 1
H17A H 0.5656 0.7192 0.7748 0.229 Uiso 0.619(13) 1 calc PR A 1
H17B H 0.6856 0.6593 0.7076 0.229 Uiso 0.619(13) 1 calc PR A 1
C18 C 0.7268(17) 0.7009(18) 0.8547(19) 0.165(11) Uani 0.619(13) 1 d PDU A 1
H18A H 0.7709 0.6275 0.8277 0.198 Uiso 0.619(13) 1 calc PR A 1
H18B H 0.6454 0.6806 0.8927 0.198 Uiso 0.619(13) 1 calc PR A 1
C19 C 0.836(3) 0.8151(18) 0.9193(10) 0.145(8) Uani 0.619(13) 1 d PDU A 1
H19A H 0.8005 0.8555 0.9857 0.174 Uiso 0.619(13) 1 calc PR A 1
H19B H 0.9282 0.7939 0.9318 0.174 Uiso 0.619(13) 1 calc PR A 1
C20 C 0.865(2) 0.9025(18) 0.8739(16) 0.115(7) Uani 0.619(13) 1 d PDU A 1
H20A H 0.8596 0.9888 0.9223 0.137 Uiso 0.619(13) 1 calc PR A 1
H20B H 0.9653 0.9104 0.8522 0.137 Uiso 0.619(13) 1 calc PR A 1
O2A O 0.804(3) 0.8988(14) 0.8733(11) 0.109(7) Uani 0.381(13) 1 d PDU A 2
C17A C 0.7612(19) 0.8030(16) 0.7708(8) 0.081(5) Uani 0.381(13) 1 d PDU A 2
H17C H 0.8502 0.7901 0.7368 0.097 Uiso 0.381(13) 1 calc PR A 2
H17D H 0.6989 0.8301 0.7321 0.097 Uiso 0.381(13) 1 calc PR A 2
C18A C 0.679(3) 0.6858(18) 0.7743(10) 0.094(6) Uani 0.381(13) 1 d PDU A 2
H18C H 0.5760 0.6599 0.7408 0.113 Uiso 0.381(13) 1 calc PR A 2
H18D H 0.7258 0.6158 0.7384 0.113 Uiso 0.381(13) 1 calc PR A 2
C19A C 0.680(2) 0.709(2) 0.8792(12) 0.107(8) Uani 0.381(13) 1 d PDU A 2
H19C H 0.5792 0.7085 0.8990 0.129 Uiso 0.381(13) 1 calc PR A 2
H19D H 0.7118 0.6418 0.8914 0.129 Uiso 0.381(13) 1 calc PR A 2
C20A C 0.781(5) 0.832(2) 0.9368(14) 0.22(2) Uani 0.381(13) 1 d PDU A 2
H20C H 0.7399 0.8811 0.9983 0.259 Uiso 0.381(13) 1 calc PR A 2
H20D H 0.8763 0.8223 0.9586 0.259 Uiso 0.381(13) 1 calc PR A 2
O3 O 0.7183(10) 0.2046(5) 1.1619(5) 0.084(2) Uani 0.619(13) 1 d PDU A 1
C21 C 0.630(2) 0.0778(14) 1.1361(12) 0.099(7) Uani 0.619(13) 1 d PDU A 1
H21A H 0.6711 0.0138 1.0835 0.119 Uiso 0.619(13) 1 calc PR A 1
H21B H 0.5269 0.0665 1.1105 0.119 Uiso 0.619(13) 1 calc PR A 1
C22 C 0.638(2) 0.0652(19) 1.2295(14) 0.256(16) Uani 0.619(13) 1 d PDU A 1
H22A H 0.6295 -0.0256 1.2159 0.307 Uiso 0.619(13) 1 calc PR A 1
H22B H 0.5561 0.0915 1.2670 0.307 Uiso 0.619(13) 1 calc PR A 1
C23 C 0.7774(10) 0.1459(8) 1.2881(7) 0.070(3) Uani 0.619(13) 1 d PDU A 1
H23A H 0.8550 0.0994 1.2724 0.084 Uiso 0.619(13) 1 calc PR A 1
H23B H 0.7705 0.1786 1.3620 0.084 Uiso 0.619(13) 1 calc PR A 1
C24 C 0.8076(11) 0.2488(6) 1.2563(6) 0.079(3) Uani 0.619(13) 1 d PDU A 1
H24A H 0.7838 0.3254 1.3078 0.095 Uiso 0.619(13) 1 calc PR A 1
H24B H 0.9138 0.2730 1.2485 0.095 Uiso 0.619(13) 1 calc PR A 1
O3A O 0.760(3) 0.138(4) 1.1397(16) 0.221(13) Uani 0.381(13) 1 d PDU A 2
C21A C 0.611(2) 0.101(3) 1.1550(14) 0.086(9) Uani 0.381(13) 1 d PDU A 2
H21C H 0.5550 0.0210 1.0961 0.103 Uiso 0.381(13) 1 calc PR A 2
H21D H 0.5621 0.1697 1.1634 0.103 Uiso 0.381(13) 1 calc PR A 2
C22A C 0.6137(12) 0.0803(18) 1.2451(10) 0.066(5) Uani 0.381(13) 1 d PDU A 2
H22C H 0.5273 0.0988 1.2807 0.079 Uiso 0.381(13) 1 calc PR A 2
H22D H 0.6137 -0.0096 1.2291 0.079 Uiso 0.381(13) 1 calc PR A 2
C23A C 0.748(2) 0.168(3) 1.3053(13) 0.22(2) Uani 0.381(13) 1 d PDU A 2
H23C H 0.7325 0.2531 1.3481 0.263 Uiso 0.381(13) 1 calc PR A 2
H23D H 0.7880 0.1353 1.3503 0.263 Uiso 0.381(13) 1 calc PR A 2
C24A C 0.8470(19) 0.179(5) 1.234(2) 0.29(3) Uani 0.381(13) 1 d PDU A 2
H24C H 0.9075 0.2688 1.2580 0.352 Uiso 0.381(13) 1 calc PR A 2
H24D H 0.9145 0.1236 1.2275 0.352 Uiso 0.381(13) 1 calc PR A 2
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
O1 Al1 O1 72.92(8) . 2_756
O1 Al1 N1 88.25(8) . .
O1 Al1 N1 160.34(9) 2_756 .
O1 Al1 Cl2 130.77(7) . .
O1 Al1 Cl2 90.99(6) 2_756 .
N1 Al1 Cl2 97.35(7) . .
O1 Al1 Cl1 114.95(7) . .
O1 Al1 Cl1 92.90(6) 2_756 .
N1 Al1 Cl1 100.35(7) . .
Cl2 Al1 Cl1 112.00(4) . .
P1 N1 Si1 123.18(12) . .
P1 N1 Al1 111.91(11) . .
Si1 N1 Al1 124.85(11) . .
C1 O1 Al1 124.57(15) . .
C1 O1 Al1 127.95(14) . 2_756
Al1 O1 Al1 107.08(8) . 2_756
N1 P1 C8 115.74(12) . .
N1 P1 C2 113.96(12) . .
C8 P1 C2 108.82(13) . .
N1 P1 C1 103.51(11) . .
C8 P1 C1 106.30(12) . .
C2 P1 C1 107.83(12) . .
N1 Si1 C15 110.28(13) . .
N1 Si1 C14 109.60(12) . .
C15 Si1 C14 110.76(15) . .
N1 Si1 C16 111.07(12) . .
C15 Si1 C16 107.47(16) . .
C14 Si1 C16 107.61(14) . .
O1 C1 P1 105.08(15) . .
O1 C1 H1A 110.7 . .
P1 C1 H1A 110.7 . .
O1 C1 H1B 110.7 . .
P1 C1 H1B 110.7 . .
H1A C1 H1B 108.8 . .
C7 C2 C3 119.5(2) . .
C7 C2 P1 119.3(2) . .
C3 C2 P1 121.2(2) . .
C4 C3 C2 120.1(3) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C5 C4 C3 120.1(3) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C4 C5 C6 120.3(3) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C7 120.0(3) . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C6 C7 C2 120.0(3) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
C13 C8 C9 120.2(3) . .
C13 C8 P1 123.2(2) . .
C9 C8 P1 116.6(2) . .
C10 C9 C8 120.0(4) . .
C10 C9 H9 120.0 . .
C8 C9 H9 120.0 . .
C11 C10 C9 119.5(4) . .
C11 C10 H10 120.2 . .
C9 C10 H10 120.2 . .
C10 C11 C12 121.5(3) . .
C10 C11 H11 119.3 . .
C12 C11 H11 119.3 . .
C11 C12 C13 120.2(4) . .
C11 C12 H12 119.9 . .
C13 C12 H12 119.9 . .
C8 C13 C12 118.6(3) . .
C8 C13 H13 120.7 . .
C12 C13 H13 120.7 . .
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 . .
Si1 C16 H16A 109.5 . .
Si1 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si1 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C20 O2 C17 109.4(11) . .
C18 C17 O2 107.4(10) . .
C18 C17 H17A 110.2 . .
O2 C17 H17A 110.2 . .
C18 C17 H17B 110.2 . .
O2 C17 H17B 110.2 . .
H17A C17 H17B 108.5 . .
C17 C18 C19 106.6(10) . .
C17 C18 H18A 110.4 . .
C19 C18 H18A 110.4 . .
C17 C18 H18B 110.4 . .
C19 C18 H18B 110.4 . .
H18A C18 H18B 108.6 . .
C20 C19 C18 110.2(10) . .
C20 C19 H19A 109.6 . .
C18 C19 H19A 109.6 . .
C20 C19 H19B 109.6 . .
C18 C19 H19B 109.6 . .
H19A C19 H19B 108.1 . .
O2 C20 C19 105.4(10) . .
O2 C20 H20A 110.7 . .
C19 C20 H20A 110.6 . .
O2 C20 H20B 110.7 . .
C19 C20 H20B 110.7 . .
H20A C20 H20B 108.8 . .
C20A O2A C17A 106.5(10) . .
O2A C17A C18A 107.6(9) . .
O2A C17A H17C 110.2 . .
C18A C17A H17C 110.2 . .
O2A C17A H17D 110.2 . .
C18A C17A H17D 110.2 . .
H17C C17A H17D 108.5 . .
C19A C18A C17A 107.6(10) . .
C19A C18A H18C 110.2 . .
C17A C18A H18C 110.2 . .
C19A C18A H18D 110.2 . .
C17A C18A H18D 110.2 . .
H18C C18A H18D 108.5 . .
C20A C19A C18A 106.7(11) . .
C20A C19A H19C 110.4 . .
C18A C19A H19C 110.4 . .
C20A C19A H19D 110.4 . .
C18A C19A H19D 110.4 . .
H19C C19A H19D 108.6 . .
O2A C20A C19A 107.7(13) . .
O2A C20A H20C 110.2 . .
C19A C20A H20C 110.2 . .
O2A C20A H20D 110.1 . .
C19A C20A H20D 110.1 . .
H20C C20A H20D 108.5 . .
C21 O3 C24 108.4(6) . .
O3 C21 C22 103.8(8) . .
O3 C21 H21A 111.0 . .
C22 C21 H21A 111.0 . .
O3 C21 H21B 111.0 . .
C22 C21 H21B 111.0 . .
H21A C21 H21B 109.0 . .
C21 C22 C23 107.7(9) . .
C21 C22 H22A 110.1 . .
C23 C22 H22A 110.1 . .
C21 C22 H22B 110.2 . .
C23 C22 H22B 110.2 . .
H22A C22 H22B 108.5 . .
C22 C23 C24 102.9(7) . .
C22 C23 H23A 111.2 . .
C24 C23 H23A 111.2 . .
C22 C23 H23B 111.2 . .
C24 C23 H23B 111.2 . .
H23A C23 H23B 109.1 . .
O3 C24 C23 107.7(5) . .
O3 C24 H24A 110.2 . .
C23 C24 H24A 110.2 . .
O3 C24 H24B 110.2 . .
C23 C24 H24B 110.2 . .
H24A C24 H24B 108.5 . .
C24A O3A C21A 106.2(10) . .
O3A C21A C22A 106.4(10) . .
O3A C21A H21C 110.5 . .
C22A C21A H21C 110.4 . .
O3A C21A H21D 110.4 . .
C22A C21A H21D 110.5 . .
H21C C21A H21D 108.6 . .
C23A C22A C21A 104.0(12) . .
C23A C22A H22C 110.9 . .
C21A C22A H22C 111.0 . .
C23A C22A H22D 111.0 . .
C21A C22A H22D 111.0 . .
H22C C22A H22D 109.0 . .
C24A C23A C22A 105.3(12) . .
C24A C23A H23C 110.7 . .
C22A C23A H23C 110.7 . .
C24A C23A H23D 110.7 . .
C22A C23A H23D 110.7 . .
H23C C23A H23D 108.8 . .
O3A C24A C23A 107.6(11) . .
O3A C24A H24C 110.2 . .
C23A C24A H24C 110.2 . .
O3A C24A H24D 110.2 . .
C23A C24A H24D 110.2 . .
H24C C24A H24D 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Al1 O1 1.8269(17) .
Al1 O1 1.9205(18) 2_756
Al1 N1 1.969(2) .
Al1 Cl2 2.1698(9) .
Al1 Cl1 2.1720(9) .
N1 P1 1.601(2) .
N1 Si1 1.764(2) .
O1 C1 1.411(3) .
O1 Al1 1.9205(18) 2_756
P1 C8 1.792(3) .
P1 C2 1.794(3) .
P1 C1 1.821(3) .
Si1 C15 1.853(3) .
Si1 C14 1.856(3) .
Si1 C16 1.865(3) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C7 1.387(4) .
C2 C3 1.390(4) .
C3 C4 1.382(4) .
C3 H3 0.9500 .
C4 C5 1.376(5) .
C4 H4 0.9500 .
C5 C6 1.379(5) .
C5 H5 0.9500 .
C6 C7 1.385(4) .
C6 H6 0.9500 .
C7 H7 0.9500 .
C8 C13 1.382(4) .
C8 C9 1.397(4) .
C9 C10 1.384(5) .
C9 H9 0.9500 .
C10 C11 1.356(6) .
C10 H10 0.9500 .
C11 C12 1.371(6) .
C11 H11 0.9500 .
C12 C13 1.399(4) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
O2 C20 1.413(8) .
O2 C17 1.426(8) .
C17 C18 1.417(8) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.417(8) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.414(8) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
O2A C20A 1.423(9) .
O2A C17A 1.427(8) .
C17A C18A 1.434(9) .
C17A H17C 0.9900 .
C17A H17D 0.9900 .
C18A C19A 1.430(8) .
C18A H18C 0.9900 .
C18A H18D 0.9900 .
C19A C20A 1.424(9) .
C19A H19C 0.9900 .
C19A H19D 0.9900 .
C20A H20C 0.9900 .
C20A H20D 0.9900 .
O3 C21 1.414(8) .
O3 C24 1.416(6) .
C21 C22 1.422(8) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.424(7) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.436(7) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
O3A C24A 1.416(9) .
O3A C21A 1.416(9) .
C21A C22A 1.424(9) .
C21A H21C 0.9900 .
C21A H21D 0.9900 .
C22A C23A 1.420(9) .
C22A H22C 0.9900 .
C22A H22D 0.9900 .
C23A C24A 1.420(9) .
C23A H23C 0.9900 .
C23A H23D 0.9900 .
C24A H24C 0.9900 .
C24A H24D 0.9900 .
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_4
O1 Al1 N1 P1 -16.61(12) . .
O1 Al1 N1 P1 -33.1(3) 2_756 .
Cl2 Al1 N1 P1 -147.52(10) . .
Cl1 Al1 N1 P1 98.44(11) . .
O1 Al1 N1 Si1 166.18(14) . .
O1 Al1 N1 Si1 149.6(2) 2_756 .
Cl2 Al1 N1 Si1 35.27(14) . .
Cl1 Al1 N1 Si1 -78.77(13) . .
O1 Al1 O1 C1 173.2(2) 2_756 .
N1 Al1 O1 C1 -1.0(2) . .
Cl2 Al1 O1 C1 97.17(19) . .
Cl1 Al1 O1 C1 -101.63(19) . .
O1 Al1 O1 Al1 0.0 2_756 2_756
N1 Al1 O1 Al1 -174.25(10) . 2_756
Cl2 Al1 O1 Al1 -76.05(10) . 2_756
Cl1 Al1 O1 Al1 85.15(9) . 2_756
Si1 N1 P1 C8 -41.43(19) . .
Al1 N1 P1 C8 141.30(13) . .
Si1 N1 P1 C2 85.88(17) . .
Al1 N1 P1 C2 -91.38(14) . .
Si1 N1 P1 C1 -157.29(15) . .
Al1 N1 P1 C1 25.44(15) . .
P1 N1 Si1 C15 97.61(18) . .
Al1 N1 Si1 C15 -85.48(17) . .
P1 N1 Si1 C14 -140.20(17) . .
Al1 N1 Si1 C14 36.70(19) . .
P1 N1 Si1 C16 -21.4(2) . .
Al1 N1 Si1 C16 155.48(16) . .
Al1 O1 C1 P1 15.5(2) . .
Al1 O1 C1 P1 -172.72(11) 2_756 .
N1 P1 C1 O1 -24.80(19) . .
C8 P1 C1 O1 -147.19(17) . .
C2 P1 C1 O1 96.26(18) . .
N1 P1 C2 C7 -8.8(3) . .
C8 P1 C2 C7 122.0(2) . .
C1 P1 C2 C7 -123.1(2) . .
N1 P1 C2 C3 170.0(2) . .
C8 P1 C2 C3 -59.2(2) . .
C1 P1 C2 C3 55.7(2) . .
C7 C2 C3 C4 -0.7(4) . .
P1 C2 C3 C4 -179.5(2) . .
C2 C3 C4 C5 0.0(5) . .
C3 C4 C5 C6 0.3(5) . .
C4 C5 C6 C7 0.1(5) . .
C5 C6 C7 C2 -0.8(5) . .
C3 C2 C7 C6 1.1(4) . .
P1 C2 C7 C6 179.9(2) . .
N1 P1 C8 C13 125.1(2) . .
C2 P1 C8 C13 -4.7(3) . .
C1 P1 C8 C13 -120.6(2) . .
N1 P1 C8 C9 -54.5(2) . .
C2 P1 C8 C9 175.6(2) . .
C1 P1 C8 C9 59.8(2) . .
C13 C8 C9 C10 -0.9(4) . .
P1 C8 C9 C10 178.8(2) . .
C8 C9 C10 C11 1.3(5) . .
C9 C10 C11 C12 -0.7(5) . .
C10 C11 C12 C13 -0.4(5) . .
C9 C8 C13 C12 -0.2(4) . .
P1 C8 C13 C12 -179.8(2) . .
C11 C12 C13 C8 0.8(4) . .
C20 O2 C17 C18 3(3) . .
O2 C17 C18 C19 3(3) . .
C17 C18 C19 C20 -8(3) . .
C17 O2 C20 C19 -8(3) . .
C18 C19 C20 O2 10(3) . .
C20A O2A C17A C18A 14(3) . .
O2A C17A C18A C19A -3(3) . .
C17A C18A C19A C20A -9(3) . .
C17A O2A C20A C19A -20(4) . .
C18A C19A C20A O2A 18(4) . .
C24 O3 C21 C22 17(2) . .
O3 C21 C22 C23 -30(2) . .
C21 C22 C23 C24 30(2) . .
C21 O3 C24 C23 1.6(15) . .
C22 C23 C24 O3 -19.2(16) . .
C24A O3A C21A C22A -19(4) . .
O3A C21A C22A C23A 31(3) . .
C21A C22A C23A C24A -32(4) . .
C21A O3A C24A C23A -1(5) . .
C22A C23A C24A O3A 21(5) . .
