#------------------------------------------------------------------------------
#$Date: 2018-08-21 22:46:58 +0300 (Tue, 21 Aug 2018) $
#$Revision: 210021 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/22/4302265.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_4302265
loop_
_publ_author_name
'Lee, Pei-Ying'
'Liang, Lan-Chang'
_publ_section_title
;
 Synthesis and Structural Characterization of Five-Coordinate Aluminum
 Complexes Containing Diarylamido Diphosphine Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5480
_journal_page_last               5487
_journal_paper_doi               10.1021/ic802030d
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C32 H38 Al N P2'
_chemical_formula_sum            'C32 H38 Al N P2'
_chemical_formula_weight         525.55
_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                108.584(2)
_cell_angle_beta                 96.379(2)
_cell_angle_gamma                107.357(2)
_cell_formula_units_Z            2
_cell_length_a                   9.4805(3)
_cell_length_b                   11.5257(3)
_cell_length_c                   16.6500(6)
_cell_measurement_reflns_used    13906
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.35
_cell_measurement_theta_min      2.037
_cell_volume                     1602.63(9)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'HKL Denzo and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.1074
_diffrn_reflns_av_sigmaI/netI    0.1138
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22264
_diffrn_reflns_theta_full        27.64
_diffrn_reflns_theta_max         27.64
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    0.182
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.983
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 ?
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_platon_squeeze_details          ' ?'
_refine_diff_density_max         0.379
_refine_diff_density_min         -0.361
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.847
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         5780
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.847
_refine_ls_R_factor_all          0.1316
_refine_ls_R_factor_gt           0.0767
_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2232
_refine_ls_wR_factor_ref         0.2612
_reflns_number_gt                3398
_reflns_number_total             5780
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4338631
_cod_data_source_file            ic802030d_si_001_3.cif
_cod_data_source_block           6634_2c
_cod_database_code               4302265
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
C1 C 0.9246(6) 0.7589(5) 1.0555(3) 0.0476(12) Uani 1 1 d . . .
H1 H 1.0235 0.8282 1.0687 0.057 Uiso 1 1 calc R . .
C2 C 0.9486(7) 0.6332(6) 1.0389(4) 0.0669(17) Uani 1 1 d . . .
H2A H 1.0150 0.6390 1.0891 0.100 Uiso 1 1 calc R . .
H2B H 0.9935 0.6144 0.9896 0.100 Uiso 1 1 calc R . .
H2C H 0.8529 0.5646 1.0273 0.100 Uiso 1 1 calc R . .
C3 C 0.8109(7) 0.7630(7) 0.9732(4) 0.0720(18) Uani 1 1 d . . .
H3A H 0.8018 0.8477 0.9890 0.108 Uiso 1 1 calc R . .
H3B H 0.7124 0.6974 0.9605 0.108 Uiso 1 1 calc R . .
H3C H 0.8530 0.7463 0.9227 0.108 Uiso 1 1 calc R . .
C4 C 0.8622(6) 0.9564(5) 1.1666(3) 0.0478(13) Uani 1 1 d . . .
H4 H 0.7875 0.9568 1.1211 0.057 Uiso 1 1 calc R . .
C5 C 1.0183(8) 1.0511(6) 1.1728(5) 0.078(2) Uani 1 1 d . . .
H5A H 1.0470 1.0239 1.1183 0.118 Uiso 1 1 calc R . .
H5B H 1.0913 1.0516 1.2179 0.118 Uiso 1 1 calc R . .
H5C H 1.0150 1.1375 1.1862 0.118 Uiso 1 1 calc R . .
C6 C 0.8228(7) 1.0001(6) 1.2490(4) 0.0656(16) Uani 1 1 d . . .
H6A H 0.7241 0.9421 1.2464 0.098 Uiso 1 1 calc R . .
H6B H 0.8214 1.0870 1.2621 0.098 Uiso 1 1 calc R . .
H6C H 0.8963 1.0002 1.2936 0.098 Uiso 1 1 calc R . .
C7 C 0.9974(5) 0.7920(4) 1.2424(3) 0.0374(11) Uani 1 1 d . . .
C8 C 1.1581(5) 0.8277(5) 1.2538(3) 0.0491(13) Uani 1 1 d . . .
H8 H 1.2009 0.8536 1.2119 0.059 Uiso 1 1 calc R . .
C9 C 1.2631(6) 0.8270(5) 1.3269(3) 0.0495(13) Uani 1 1 d . . .
H9 H 1.3666 0.8523 1.3291 0.059 Uiso 1 1 calc R . .
C10 C 1.2084(5) 0.7895(5) 1.3907(3) 0.0473(12) Uani 1 1 d . . .
H10 H 1.2713 0.7881 1.4371 0.057 Uiso 1 1 calc R . .
C11 C 1.0531(5) 0.7537(5) 1.3814(3) 0.0438(12) Uani 1 1 d . . .
H11 H 1.0123 0.7279 1.4239 0.053 Uiso 1 1 calc R . .
C12 C 0.9427(5) 0.7532(4) 1.3066(3) 0.0365(10) Uani 1 1 d . . .
C13 C 0.7336(5) 0.7443(5) 1.3678(3) 0.0356(10) Uani 1 1 d . . .
C14 C 0.8152(5) 0.8584(5) 1.4335(3) 0.0465(12) Uani 1 1 d . . .
H14 H 0.9061 0.9129 1.4289 0.056 Uiso 1 1 calc R . .
C15 C 0.7642(5) 0.8906(5) 1.5031(3) 0.0502(13) Uani 1 1 d . . .
H15 H 0.8186 0.9685 1.5496 0.060 Uiso 1 1 calc R . .
C16 C 0.6272(5) 0.8073(5) 1.5077(3) 0.0482(13) Uani 1 1 d . . .
H16 H 0.5912 0.8318 1.5578 0.058 Uiso 1 1 calc R . .
C17 C 0.5456(5) 0.6940(5) 1.4431(3) 0.0418(11) Uani 1 1 d . . .
H17 H 0.4550 0.6403 1.4485 0.050 Uiso 1 1 calc R . .
C18 C 0.5941(5) 0.6599(4) 1.3728(3) 0.0349(10) Uani 1 1 d . . .
C19 C 0.5746(5) 0.4018(5) 1.3289(3) 0.0379(11) Uani 1 1 d . . .
C20 C 0.6968(5) 0.4406(5) 1.4065(3) 0.0443(12) Uani 1 1 d . . .
H20 H 0.7396 0.5293 1.4407 0.053 Uiso 1 1 calc R . .
C21 C 0.7562(6) 0.3537(6) 1.4344(4) 0.0537(14) Uani 1 1 d . . .
H21 H 0.8334 0.3850 1.4839 0.064 Uiso 1 1 calc R . .
C22 C 0.6943(7) 0.2278(6) 1.3856(4) 0.0575(15) Uani 1 1 d . . .
H22 H 0.7270 0.1668 1.3997 0.069 Uiso 1 1 calc R . .
C23 C 0.5732(7) 0.1866(6) 1.3089(4) 0.0581(15) Uani 1 1 d . . .
H23 H 0.5307 0.0975 1.2755 0.070 Uiso 1 1 calc R . .
C24 C 0.5138(6) 0.2729(5) 1.2804(3) 0.0490(13) Uani 1 1 d . . .
H24 H 0.4367 0.2404 1.2306 0.059 Uiso 1 1 calc R . .
C25 C 0.2950(5) 0.4576(4) 1.2904(3) 0.0379(11) Uani 1 1 d . . .
C26 C 0.2494(5) 0.3906(5) 1.3451(3) 0.0467(12) Uani 1 1 d . . .
H26 H 0.3163 0.3689 1.3777 0.056 Uiso 1 1 calc R . .
C27 C 0.0971(6) 0.3586(5) 1.3474(4) 0.0576(15) Uani 1 1 d . . .
H27 H 0.0612 0.3159 1.3839 0.069 Uiso 1 1 calc R . .
C28 C -0.0102(6) 0.3903(5) 1.2937(4) 0.0542(14) Uani 1 1 d . . .
H28 H -0.1114 0.3650 1.2969 0.065 Uiso 1 1 calc R . .
C29 C 0.0337(6) 0.4562(6) 1.2386(4) 0.0599(15) Uani 1 1 d . . .
H29 H -0.0341 0.4771 1.2059 0.072 Uiso 1 1 calc R . .
C30 C 0.1851(5) 0.4885(5) 1.2357(4) 0.0500(13) Uani 1 1 d . . .
H30 H 0.2201 0.5307 1.1987 0.060 Uiso 1 1 calc R . .
C31 C 0.6304(6) 0.4728(5) 1.1110(3) 0.0529(13) Uani 1 1 d . . .
H31A H 0.7178 0.4589 1.1353 0.079 Uiso 1 1 calc R . .
H31B H 0.6340 0.4705 1.0532 0.079 Uiso 1 1 calc R . .
H31C H 0.5400 0.4052 1.1091 0.079 Uiso 1 1 calc R . .
C32 C 0.4596(6) 0.6966(5) 1.1483(3) 0.0499(13) Uani 1 1 d . . .
H32A H 0.4779 0.7817 1.1908 0.075 Uiso 1 1 calc R . .
H32B H 0.3640 0.6368 1.1481 0.075 Uiso 1 1 calc R . .
H32C H 0.4572 0.7018 1.0917 0.075 Uiso 1 1 calc R . .
N1 N 0.7798(4) 0.7110(4) 1.2944(2) 0.0374(9) Uani 1 1 d . . .
Al1 Al 0.62938(16) 0.63178(15) 1.17856(9) 0.0427(4) Uani 1 1 d . . .
P1 P 0.85015(14) 0.78843(12) 1.14720(8) 0.0397(4) Uani 1 1 d . . .
P2 P 0.49444(12) 0.51093(12) 1.28568(8) 0.0358(4) 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'
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'
P P 0.1023 0.0942 '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
C2 C1 C3 114.7(5) . . ?
C2 C1 P1 106.5(3) . . ?
C3 C1 P1 110.2(3) . . ?
C2 C1 H1 108.4 . . ?
C3 C1 H1 108.4 . . ?
P1 C1 H1 108.4 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C6 C4 C5 108.0(5) . . ?
C6 C4 P1 104.8(3) . . ?
C5 C4 P1 115.5(4) . . ?
C6 C4 H4 109.4 . . ?
C5 C4 H4 109.4 . . ?
P1 C4 H4 109.4 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 C7 C8 113.5(4) . . ?
C12 C7 P1 118.1(3) . . ?
C8 C7 P1 128.4(3) . . ?
C7 C8 C9 125.8(4) . . ?
C7 C8 H8 117.1 . . ?
C9 C8 H8 117.1 . . ?
C10 C9 C8 120.5(4) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 115.3(5) . . ?
C9 C10 H10 122.3 . . ?
C11 C10 H10 122.3 . . ?
C10 C11 C12 125.1(4) . . ?
C10 C11 H11 117.4 . . ?
C12 C11 H11 117.4 . . ?
C7 C12 N1 114.6(4) . . ?
C7 C12 C11 119.8(4) . . ?
N1 C12 C11 125.6(3) . . ?
N1 C13 C14 119.9(4) . . ?
N1 C13 C18 118.1(4) . . ?
C14 C13 C18 121.9(4) . . ?
C15 C14 C13 118.5(4) . . ?
C15 C14 H14 120.8 . . ?
C13 C14 H14 120.8 . . ?
C14 C15 C16 119.4(5) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C17 C16 C15 122.7(4) . . ?
C17 C16 H16 118.7 . . ?
C15 C16 H16 118.7 . . ?
C18 C17 C16 119.0(4) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C13 118.5(4) . . ?
C17 C18 P2 121.7(3) . . ?
C13 C18 P2 119.8(3) . . ?
C24 C19 C20 115.9(4) . . ?
C24 C19 P2 115.1(4) . . ?
C20 C19 P2 129.0(4) . . ?
C21 C20 C19 126.5(5) . . ?
C21 C20 H20 116.8 . . ?
C19 C20 H20 116.8 . . ?
C22 C21 C20 116.3(5) . . ?
C22 C21 H21 121.8 . . ?
C20 C21 H21 121.8 . . ?
C21 C22 C23 118.5(5) . . ?
C21 C22 H22 120.8 . . ?
C23 C22 H22 120.8 . . ?
C22 C23 C24 125.5(5) . . ?
C22 C23 H23 117.2 . . ?
C24 C23 H23 117.2 . . ?
C19 C24 C23 117.3(5) . . ?
C19 C24 H24 121.3 . . ?
C23 C24 H24 121.3 . . ?
C26 C25 C30 122.0(4) . . ?
C26 C25 P2 119.2(4) . . ?
C30 C25 P2 118.7(3) . . ?
C27 C26 C25 115.3(5) . . ?
C27 C26 H26 122.3 . . ?
C25 C26 H26 122.3 . . ?
C26 C27 C28 122.2(5) . . ?
C26 C27 H27 118.9 . . ?
C28 C27 H27 118.9 . . ?
C29 C28 C27 123.0(4) . . ?
C29 C28 H28 118.5 . . ?
C27 C28 H28 118.5 . . ?
C30 C29 C28 115.3(5) . . ?
C30 C29 H29 122.3 . . ?
C28 C29 H29 122.3 . . ?
C29 C30 C25 122.0(5) . . ?
C29 C30 H30 119.0 . . ?
C25 C30 H30 119.0 . . ?
Al1 C31 H31A 109.5 . . ?
Al1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Al1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Al1 C32 H32A 109.5 . . ?
Al1 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Al1 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C13 N1 C12 113.7(4) . . ?
C13 N1 Al1 120.2(3) . . ?
C12 N1 Al1 125.5(3) . . ?
C31 Al1 N1 112.7(2) . . ?
C31 Al1 C32 121.1(3) . . ?
N1 Al1 C32 124.8(2) . . ?
C31 Al1 P1 101.89(17) . . ?
N1 Al1 P1 79.20(11) . . ?
C32 Al1 P1 100.13(15) . . ?
C31 Al1 P2 87.53(17) . . ?
N1 Al1 P2 73.36(11) . . ?
C32 Al1 P2 96.71(14) . . ?
P1 Al1 P2 152.52(7) . . ?
C1 P1 C4 99.0(2) . . ?
C1 P1 C7 107.2(2) . . ?
C4 P1 C7 108.0(2) . . ?
C1 P1 Al1 127.89(19) . . ?
C4 P1 Al1 120.56(15) . . ?
C7 P1 Al1 92.26(13) . . ?
C18 P2 C25 109.1(2) . . ?
C18 P2 C19 97.5(2) . . ?
C25 P2 C19 104.2(2) . . ?
C18 P2 Al1 86.75(14) . . ?
C25 P2 Al1 128.45(16) . . ?
C19 P2 Al1 122.51(13) . . ?
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
C1 C2 1.478(8) . ?
C1 C3 1.670(8) . ?
C1 P1 1.731(5) . ?
C1 H1 0.9800 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 C6 1.437(7) . ?
C4 C5 1.524(8) . ?
C4 P1 1.823(5) . ?
C4 H4 0.9800 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 C12 1.379(6) . ?
C7 C8 1.428(6) . ?
C7 P1 1.973(5) . ?
C8 C9 1.486(7) . ?
C8 H8 0.9300 . ?
C9 C10 1.367(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.381(6) . ?
C10 H10 0.9300 . ?
C11 C12 1.533(7) . ?
C11 H11 0.9300 . ?
C12 N1 1.442(6) . ?
C13 N1 1.324(5) . ?
C13 C14 1.347(7) . ?
C13 C18 1.418(6) . ?
C14 C15 1.293(6) . ?
C14 H14 0.9300 . ?
C15 C16 1.392(7) . ?
C15 H15 0.9300 . ?
C16 C17 1.333(7) . ?
C16 H16 0.9300 . ?
C17 C18 1.292(6) . ?
C17 H17 0.9300 . ?
C18 P2 1.757(5) . ?
C19 C24 1.347(7) . ?
C19 C20 1.484(7) . ?
C19 P2 1.925(5) . ?
C20 C21 1.453(7) . ?
C20 H20 0.9300 . ?
C21 C22 1.321(8) . ?
C21 H21 0.9300 . ?
C22 C23 1.462(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.452(7) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.396(7) . ?
C25 C30 1.504(7) . ?
C25 P2 1.824(4) . ?
C26 C27 1.387(7) . ?
C26 H26 0.9300 . ?
C27 C28 1.482(8) . ?
C27 H27 0.9300 . ?
C28 C29 1.390(8) . ?
C28 H28 0.9300 . ?
C29 C30 1.381(7) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 Al1 1.823(6) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 Al1 2.045(5) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
N1 Al1 2.019(4) . ?
Al1 P1 2.5499(18) . ?
Al1 P2 2.7902(17) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
1 0.500 1.000 1.000 191.1 -0.1
